%mem=54GB %nprocshared=16 %chk=domain-ab-TS1.irc.freq.chk # oniom(mpwpw91/6-31g(d):amber=softfirst)=embedcharge iop(3/76=0594004060) freq=(noraman,savenormalmodes,modelmodes) scf=tight geom=connectivity nosymm temperature=310 pressure=1.0 1_GSSG.rtf -12 1 -1 1 -1 1 C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=47) 0 -13.57345900 -6.95771600 0.65076400 H H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=47) 0 -12.92994200 -7.57897100 1.27347400 H H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=47) 0 -13.79542800 -6.08186200 1.25714800 H C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=47) 0 -14.89077400 -7.68491200 0.42720800 H H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=47) 0 -15.58552200 -7.06436900 -0.15182100 H H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=47) 0 -14.76464400 -8.61737500 -0.12255500 H C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=47) 0 -15.60302600 -7.98054800 1.76453400 H O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=47) 0 -16.05443000 -9.13605400 1.92890100 H O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=47) 0 -15.67875400 -7.04107000 2.57758200 H C-CT--0.027500(PDBName=CA,ResName=TRP,ResNum=52) 0 -25.19887400 -13.76042100 -3.37153200 L H-H1-0.112300(PDBName=HA,ResName=TRP,ResNum=52) 0 -25.80254500 -13.90655100 -2.47572800 L C-C-0.597300(PDBName=C,ResName=TRP,ResNum=52) 0 -24.06388400 -14.80160700 -3.31142200 L O-O--0.567900(PDBName=O,ResName=TRP,ResNum=52) 0 -24.37405700 -15.98983900 -3.19305100 L N-N--0.415700(PDBName=N,ResName=CYM,ResNum=53) 0 -22.78199000 -14.40984000 -3.38277200 L H-HC 16 0.0000 H-H-0.271900(PDBName=H,ResName=CYM,ResNum=53) 0 -22.55637500 -13.42288200 -3.39675700 L C-CT--0.035100(PDBName=CA,ResName=CYM,ResNum=53) 0 -21.67620900 -15.34484800 -3.58552000 H H-H1-0.050800(PDBName=HA,ResName=CYM,ResNum=53) 0 -21.97132400 -16.08989200 -4.32461100 H C-CT--0.241300(PDBName=CB,ResName=CYM,ResNum=53) 0 -20.48239300 -14.58930600 -4.15782700 H H-H1-0.112200(PDBName=HB3,ResName=CYM,ResNum=53) 0 -20.33648700 -13.65206100 -3.62929000 H H-H1-0.112200(PDBName=HB2,ResName=CYM,ResNum=53) 0 -20.70467000 -14.33869900 -5.19746800 H S-SH--0.884400(PDBName=SG,ResName=CYM,ResNum=53) 0 -18.94734700 -15.55660100 -4.11338900 H C-C-0.597300(PDBName=C,ResName=CYM,ResNum=53) 0 -21.33415100 -16.01747100 -2.28594000 H O-O--0.567900(PDBName=O,ResName=CYM,ResNum=53) 0 -21.06509500 -15.37307900 -1.28155000 H N-N--0.415700(PDBName=N,ResName=GLY,ResNum=54) 0 -21.31132900 -17.36304400 -2.28365000 H H-H-0.271900(PDBName=H,ResName=GLY,ResNum=54) 0 -21.61943900 -17.84682300 -3.11642500 H C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=54) 0 -20.96304100 -18.11084000 -1.10917500 H H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=54) 0 -21.64802100 -17.92871900 -0.28509400 H H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=54) 0 -21.01336000 -19.17122400 -1.35104600 H C-C-0.597300(PDBName=C,ResName=GLY,ResNum=54) 0 -19.56454300 -17.82842400 -0.59465600 H O-O--0.567900(PDBName=O,ResName=GLY,ResNum=54) 0 -19.30463100 -17.91713200 0.59788500 H N-N--0.415700(PDBName=N,ResName=HID,ResNum=55) 0 -18.65764400 -17.54624800 -1.53104700 H H-H-0.271900(PDBName=H,ResName=HID,ResNum=55) 0 -18.97356800 -17.22448900 -2.44974900 H C-CT-0.018800(PDBName=CA,ResName=HID,ResNum=55) 0 -17.28972800 -17.26163800 -1.18971200 H H-H1-0.088100(PDBName=HA,ResName=HID,ResNum=55) 0 -16.98101000 -17.95166600 -0.40666300 H C-CT--0.046200(PDBName=CB,ResName=HID,ResNum=55) 0 -16.42695400 -17.45923800 -2.44503600 H H-HC-0.040200(PDBName=HB2,ResName=HID,ResNum=55) 0 -16.79318900 -16.80292700 -3.23418500 H H-HC-0.040200(PDBName=HB3,ResName=HID,ResNum=55) 0 -15.40857700 -17.14634100 -2.23848400 H C-CC--0.026600(PDBName=CG,ResName=HID,ResNum=55) 0 -16.44507500 -18.86662500 -2.92711500 H N-NA--0.381100(PDBName=ND1,ResName=HID,ResNum=55) 0 -15.51777800 -19.80978200 -2.55809400 H H-H-0.364900(PDBName=HD1,ResName=HID,ResNum=55) 0 -14.59918300 -19.64114900 -2.17033600 H C-CR-0.205700(PDBName=CE1,ResName=HID,ResNum=55) 0 -15.86158600 -20.97420800 -3.13002400 H H-H5-0.139200(PDBName=HE1,ResName=HID,ResNum=55) 0 -15.27405400 -21.86892800 -3.03193700 H N-NB--0.572700(PDBName=NE2,ResName=HID,ResNum=55) 0 -16.97567200 -20.86409300 -3.81265300 H C-CV-0.129200(PDBName=CD2,ResName=HID,ResNum=55) 0 -17.34001200 -19.54726100 -3.70026500 H H-H4-0.114700(PDBName=HD2,ResName=HID,ResNum=55) 0 -18.21819600 -19.15583300 -4.18370400 H C-C-0.597300(PDBName=C,ResName=HID,ResNum=55) 0 -17.13286100 -15.86915200 -0.57232400 H O-O--0.567900(PDBName=O,ResName=HID,ResNum=55) 0 -16.42419600 -15.69040200 0.41940800 H N-N--0.415700(PDBName=N,ResName=CYS,ResNum=56) 0 -17.84403300 -14.90070900 -1.14022200 H H-H-0.271900(PDBName=H,ResName=CYS,ResNum=56) 0 -18.31369900 -15.08599300 -2.04031800 H C-CT-0.021300(PDBName=CA,ResName=CYS,ResNum=56) 0 -17.87416200 -13.57787100 -0.56839000 H H-H1-0.112400(PDBName=HA,ResName=CYS,ResNum=56) 0 -16.87131100 -13.18053900 -0.42890100 H C-CT--0.123100(PDBName=CB,ResName=CYS,ResNum=56) 0 -18.65820600 -12.60755900 -1.43995600 H H-H1-0.111200(PDBName=HB2,ResName=CYS,ResNum=56) 0 -19.68528800 -12.93252300 -1.58610800 H H-H1-0.111200(PDBName=HB3,ResName=CYS,ResNum=56) 0 -18.63194300 -11.65011800 -0.92690000 H S-SH--0.311900(PDBName=SG,ResName=CYS,ResNum=56) 0 -17.87978000 -12.29552000 -3.04511700 H H-HS-0.193300(PDBName=HG,ResName=CYS,ResNum=56) 0 -18.12176200 -13.50845700 -3.63069400 H C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=120) 0 -11.85067300 -15.79606400 1.39428400 H H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=120) 0 -12.20781600 -16.81844800 1.50101700 H H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=120) 0 -12.61744200 -15.11308300 1.75142800 H N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=120) 0 -11.51405600 -15.52096000 0.01801200 H H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=120) 0 -10.62475600 -15.08679300 -0.19190300 H C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=120) 0 -12.10822100 -16.10960300 -1.00883200 H N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=120) 0 -13.23182000 -16.80018300 -0.84140900 H H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=120) 0 -13.85916400 -16.61995600 -0.07821000 H H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=120) 0 -13.52436000 -17.36346300 -1.63391400 H N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=120) 0 -11.58626900 -16.01055800 -2.22137500 H H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=120) 0 -10.64659300 -15.66977300 -2.34266300 H H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=120) 0 -12.06016300 -16.42447400 -3.01265000 H C-CT-0.090430(PDBName=C1,ResName=GDS,ResNum=238) 0 -11.84691400 -19.29028500 -4.78252800 H C-C-0.795436(PDBName=C15,ResName=GDS,ResNum=238) 0 -12.60580100 -19.13868500 -3.46372200 H O-O2--0.768529(PDBName=O1,ResName=GDS,ResNum=238) 0 -12.63844600 -20.11651800 -2.68821500 H O-O2--0.768529(PDBName=O2,ResName=GDS,ResNum=238) 0 -13.17546700 -18.04665900 -3.29589000 H N-N3--0.516764(PDBName=N1,ResName=GDS,ResNum=238) 0 -10.93223600 -20.45524600 -4.68726000 H H-H-0.336685(PDBName=H21,ResName=GDS,ResNum=238) 0 -11.44294100 -21.33016900 -4.58170700 H H-H-0.336685(PDBName=H22,ResName=GDS,ResNum=238) 0 -10.31736500 -20.36707600 -3.86875700 H H-H-0.336685(PDBName=H25,ResName=GDS,ResNum=238) 0 -10.34154300 -20.54776700 -5.52197300 H H-HP-0.075961(PDBName=H5,ResName=GDS,ResNum=238) 0 -11.21773300 -18.41658100 -4.93539100 H C-CT-0.021774(PDBName=C7,ResName=GDS,ResNum=238) 0 -12.78384300 -19.48404100 -5.96939600 H H-HC-0.040870(PDBName=H9,ResName=GDS,ResNum=238) 0 -13.47699200 -20.29933100 -5.75437200 H H-HC-0.040870(PDBName=H10,ResName=GDS,ResNum=238) 0 -12.19526300 -19.78587300 -6.83534600 H C-CT--0.669382(PDBName=C11,ResName=GDS,ResNum=238) 0 -13.54877800 -18.21623300 -6.29649300 H H-HC-0.225501(PDBName=H17,ResName=GDS,ResNum=238) 0 -14.07651700 -17.83288500 -5.42656100 H H-HC-0.225501(PDBName=H18,ResName=GDS,ResNum=238) 0 -12.85141400 -17.43684000 -6.60719300 H C-C-1.051032(PDBName=C13,ResName=GDS,ResNum=238) 0 -14.49768900 -18.39247300 -7.44499300 H N-N--0.847389(PDBName=N2,ResName=GDS,ResNum=238) 0 -15.48304800 -17.48313800 -7.52265300 H C-CT-0.125808(PDBName=C2,ResName=GDS,ResNum=238) 0 -16.31626300 -17.44460900 -8.68198200 H C-CT--0.228215(PDBName=C8,ResName=GDS,ResNum=238) 0 -17.73969200 -17.03957600 -8.34846200 H S-S--0.127891(PDBName=S1,ResName=GDS,ResNum=238) 0 -18.69542300 -18.28027100 -7.43932500 H S-S--0.127891(PDBName=S2,ResName=GDS,ResNum=238) 0 -18.96696900 -19.69825600 -8.89333500 H C-CT--0.228215(PDBName=C9,ResName=GDS,ResNum=238) 0 -20.26232000 -19.02698600 -9.96035400 H C-CT-0.125808(PDBName=C5,ResName=GDS,ResNum=238) 0 -21.61795500 -18.77500700 -9.30462000 H C-C-0.499365(PDBName=C19,ResName=GDS,ResNum=238) 0 -22.61181100 -18.60353200 -10.45365800 H N-N--0.214693(PDBName=N4,ResName=GDS,ResNum=238) 0 -23.28020100 -17.44295900 -10.53804300 H C-CT--0.457591(PDBName=C4,ResName=GDS,ResNum=238) 0 -24.30735700 -17.16235700 -11.49918700 H H-H1-0.143996(PDBName=H3,ResName=GDS,ResNum=238) 0 -25.17613500 -17.80475900 -11.41543400 H H-H1-0.143996(PDBName=H4,ResName=GDS,ResNum=238) 0 -23.97496200 -17.16142000 -12.53131500 H H-H-0.267948(PDBName=H30,ResName=GDS,ResNum=238) 0 -23.17605000 -16.70346900 -9.87094800 H O-O--0.591564(PDBName=O11,ResName=GDS,ResNum=238) 0 -22.76957000 -19.49755600 -11.27435700 H N-N--0.847389(PDBName=N5,ResName=GDS,ResNum=238) 0 -22.05009700 -19.87324800 -8.49468800 H C-C-1.051032(PDBName=C14,ResName=GDS,ResNum=238) 0 -22.84063400 -19.69792200 -7.42138600 H C-CT--0.669382(PDBName=C12,ResName=GDS,ResNum=238) 0 -23.36160500 -21.01150900 -6.87417300 H H-HC-0.225501(PDBName=H19,ResName=GDS,ResNum=238) 0 -22.52832700 -21.62242900 -6.54577700 H H-HC-0.225501(PDBName=H20,ResName=GDS,ResNum=238) 0 -23.84243800 -21.51323200 -7.71671900 H O-O--0.715130(PDBName=O12,ResName=GDS,ResNum=238) 0 -23.06046400 -18.60017800 -6.91012000 H H-H-0.433401(PDBName=H28,ResName=GDS,ResNum=238) 0 -21.95956300 -20.81067700 -8.90429800 H H-H1-0.041154(PDBName=H7,ResName=GDS,ResNum=238) 0 -21.56749600 -17.88895400 -8.68035000 H H-H1-0.190294(PDBName=H13,ResName=GDS,ResNum=238) 0 -20.38692600 -19.76286800 -10.75437100 H H-H1-0.190294(PDBName=H14,ResName=GDS,ResNum=238) 0 -19.93960100 -18.09757400 -10.43873300 H H-H1-0.190294(PDBName=H11,ResName=GDS,ResNum=238) 0 -18.28124500 -16.82026900 -9.26308300 H H-H1-0.190294(PDBName=H12,ResName=GDS,ResNum=238) 0 -17.80323300 -16.14627000 -7.72846800 H C-C-0.499365(PDBName=C16,ResName=GDS,ResNum=238) 0 -15.70478500 -16.51787700 -9.74164300 H O-O--0.591564(PDBName=O10,ResName=GDS,ResNum=238) 0 -14.90314500 -15.65184900 -9.43911000 H N-N--0.214693(PDBName=N3,ResName=GDS,ResNum=238) 0 -16.07214800 -16.75734700 -11.00922100 H C-CT--0.457591(PDBName=C3,ResName=GDS,ResNum=238) 0 -15.63011200 -15.91413400 -12.12293200 L H-H 113 0.0000 C-C-1.004947(PDBName=C17,ResName=GDS,ResNum=238) 0 -16.69681600 -14.92116600 -12.54791600 L O-O2--0.856478(PDBName=O3,ResName=GDS,ResNum=238) 0 -17.84968600 -15.36659800 -12.75192000 L O-O2--0.856478(PDBName=O4,ResName=GDS,ResNum=238) 0 -16.39188900 -13.71511400 -12.68955500 L H-H1-0.143996(PDBName=H1,ResName=GDS,ResNum=238) 0 -15.41220000 -16.52870500 -12.99060500 L H-H1-0.143996(PDBName=H2,ResName=GDS,ResNum=238) 0 -14.74538900 -15.33713000 -11.86896600 L H-H-0.267948(PDBName=H29,ResName=GDS,ResNum=238) 0 -16.64344100 -17.56892100 -11.26493900 H H-H1-0.041154(PDBName=H6,ResName=GDS,ResNum=238) 0 -16.32097200 -18.45124700 -9.09750000 H H-H-0.433401(PDBName=H27,ResName=GDS,ResNum=238) 0 -15.51499100 -16.71424200 -6.86509000 H O-O--0.715130(PDBName=O9,ResName=GDS,ResNum=238) 0 -14.37502800 -19.28134600 -8.28084400 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=252) 0 -17.21669900 -19.16631600 -11.76740400 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=252) 0 -18.06549100 -19.10223300 -12.27914400 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=252) 0 -17.47380400 -19.65257000 -10.97676800 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=254) 0 -16.39538300 -23.56937800 -4.75014700 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=254) 0 -16.85523700 -22.73499900 -4.57693100 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=254) 0 -16.15553900 -23.52261700 -5.67634100 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=256) 0 -19.71611300 -14.96261900 -7.98797500 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=256) 0 -19.62971900 -15.04042500 -8.96044100 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=256) 0 -20.60951700 -14.62155600 -7.87735600 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=268) 0 -23.14479800 -18.24033500 -4.23189000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=268) 0 -23.10877600 -18.34735400 -5.21640800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=268) 0 -23.76848300 -17.48913500 -4.17164600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=373) 0 -16.91259500 -10.87725300 0.20356300 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=373) 0 -16.52028300 -10.10507000 0.68430400 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=373) 0 -17.21296200 -11.41763200 0.93723400 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=800) 0 413.69061600 -10.14702900 -29.08203200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=800) 0 413.29330800 -11.00761100 -29.21547300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=800) 0 412.94929800 -9.56357000 -28.91991900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1001) 0 -19.44068700 -15.33223700 -10.64635500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1001) 0 -20.34407300 -15.30417000 -11.06625800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1001) 0 -18.90225200 -15.35534300 -11.47745200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1076) 0 -13.47964900 -19.65145800 -11.87559900 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1076) 0 -13.18009600 -18.82354000 -12.29560000 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1076) 0 -14.17865900 -19.38333100 -11.27556000 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1088) 0 -19.18424800 -23.25462700 -9.48744600 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1088) 0 -18.84354000 -22.42214800 -9.15187300 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1088) 0 -20.05523800 -23.00600600 -9.83948200 H C-C-0.597300(PDBName=C,ResName=CYS,ResNum=56) 0 -18.50966700 -13.63001400 0.81938400 H O-O--0.567900(PDBName=O,ResName=CYS,ResNum=56) 0 -18.11173700 -12.95119400 1.75294700 H N-N--0.347900(PDBName=N,ResName=LYS,ResNum=57) 0 -19.54660000 -14.47429200 0.94492300 H H-H-0.274700(PDBName=H,ResName=LYS,ResNum=57) 0 -19.94191200 -14.96532800 0.15137600 H C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=81) 0 -18.88376800 -4.03125300 3.20691200 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=81) 0 -19.38321000 -4.72129500 2.52476300 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=81) 0 -18.37638300 -4.59969500 3.98804200 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=81) 0 -19.90252000 -3.07751200 3.84072800 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=81) 0 -19.42024200 -2.55584900 4.67327700 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=81) 0 -20.17950200 -2.33204100 3.08995500 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=81) 0 -21.13732700 -3.74474700 4.31196900 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=81) 0 -21.79271800 -3.03284000 4.63523300 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=81) 0 -21.60196600 -4.22170000 3.55185900 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=81) 0 -20.97778300 -4.38013800 5.08792500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=241) 0 -20.61267900 -2.34173400 -0.25163400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=241) 0 -20.11128500 -1.67884200 -0.77318600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=241) 0 -21.52439500 -2.11172600 -0.49567300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=247) 0 -11.88792100 -19.47954000 -9.47649400 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=247) 0 -12.73354100 -19.55605000 -9.01599800 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=247) 0 -12.11970900 -19.68748300 -10.39075200 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=290) 0 -24.26400300 -21.82570900 -10.44581300 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=290) 0 -24.93626100 -21.28686800 -9.97514300 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=290) 0 -23.86224200 -21.16667100 -11.02879300 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=300) 0 -20.57640900 -23.61796000 -4.76471400 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=300) 0 -21.50458600 -23.32571500 -4.64724400 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=300) 0 -20.04748100 -23.24710600 -4.04428300 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=510) 0 -19.17675600 -22.35258600 -2.60936200 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=510) 0 -18.54241100 -22.59796600 -1.91393500 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=510) 0 -18.63923500 -21.75963800 -3.15595800 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=702) 0 -21.61853500 -17.66203200 -13.23862500 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=702) 0 -22.27937100 -18.23655000 -12.83074400 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=702) 0 -21.72842500 -16.82619800 -12.74738100 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=714) 0 -19.36155600 -19.20714500 -13.30051500 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=714) 0 -20.13508200 -18.62012500 -13.18978500 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=714) 0 -18.97683000 -18.92521200 -14.14968500 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=928) 0 -21.82428200 -22.49154200 -9.37755000 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=928) 0 -22.72234700 -22.52929000 -9.75565500 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=928) 0 -21.76194600 -23.06488100 -8.58965500 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1135) 0 -17.40710600 -6.98078600 4.75059700 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1135) 0 -16.81845000 -7.08016400 3.96914000 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1135) 0 -17.14459200 -7.69567000 5.33567500 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1274) 0 -26.62799800 -6.47820900 21.06961900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1274) 0 -26.86014200 -7.21877400 20.50043600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1274) 0 -25.78192300 -6.18265500 20.66040000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1283) 0 -20.84003900 -24.04818200 -7.40000800 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1283) 0 -20.51189400 -23.80000900 -6.51441100 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1283) 0 -20.07985100 -24.02728400 -8.00435700 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=249) 0 -12.27057300 -15.36596800 -5.17333500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=249) 0 -13.24077000 -15.40794300 -5.27236800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=249) 0 -12.15592700 -14.41261100 -4.95898800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=265) 0 -24.38199700 -18.69927200 -1.76530900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=265) 0 -23.77060500 -18.65244600 -2.52641400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=265) 0 -23.93446600 -19.36666400 -1.20566300 L N-N3-0.159200(PDBName=N,ResName=MET,ResNum=1) 0 -13.52966800 23.43659700 -13.18766000 L H-H-0.198400(PDBName=H1,ResName=MET,ResNum=1) 0 -14.01392800 22.56928600 -13.37595200 L H-H-0.198400(PDBName=H2,ResName=MET,ResNum=1) 0 -12.57939500 23.21993200 -12.90832800 L H-H-0.198400(PDBName=H3,ResName=MET,ResNum=1) 0 -13.48071200 23.96792700 -14.04865000 L C-CT-0.022100(PDBName=CA,ResName=MET,ResNum=1) 0 -14.23701000 24.19669900 -12.14174700 L H-HP-0.111600(PDBName=HA,ResName=MET,ResNum=1) 0 -13.75034800 25.16519400 -12.02803300 L C-CT-0.086500(PDBName=CB,ResName=MET,ResNum=1) 0 -15.70006400 24.43145000 -12.55161100 L H-HC-0.012500(PDBName=HB2,ResName=MET,ResNum=1) 0 -15.72063800 24.85787600 -13.55506600 L H-HC-0.012500(PDBName=HB3,ResName=MET,ResNum=1) 0 -16.22721000 23.47893100 -12.57737400 L C-CT-0.033400(PDBName=CG,ResName=MET,ResNum=1) 0 -16.44949000 25.38481600 -11.61686100 L H-H1-0.029200(PDBName=HG2,ResName=MET,ResNum=1) 0 -16.37176600 25.02446000 -10.59073200 L H-H1-0.029200(PDBName=HG3,ResName=MET,ResNum=1) 0 -15.98164700 26.36781100 -11.68025000 L S-S--0.277400(PDBName=SD,ResName=MET,ResNum=1) 0 -18.20786300 25.55328100 -12.02216900 L C-CT--0.034100(PDBName=CE,ResName=MET,ResNum=1) 0 -18.64351000 26.98469000 -11.00149600 L H-H1-0.059700(PDBName=HE1,ResName=MET,ResNum=1) 0 -18.00205700 27.83034800 -11.25269800 L H-H1-0.059700(PDBName=HE2,ResName=MET,ResNum=1) 0 -19.68523400 27.25583800 -11.17464200 L H-H1-0.059700(PDBName=HE3,ResName=MET,ResNum=1) 0 -18.51529500 26.73294600 -9.95055900 L C-C-0.612300(PDBName=C,ResName=MET,ResNum=1) 0 -14.10048500 23.44304600 -10.82595500 L O-O--0.571300(PDBName=O,ResName=MET,ResNum=1) 0 -14.92966000 22.59299800 -10.49411700 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=2) 0 -13.01012500 23.69883600 -10.10536000 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=2) 0 -12.40909600 24.46496000 -10.39974600 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=2) 0 -12.63452000 22.97259000 -8.89607800 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=2) 0 -13.00447700 21.95257500 -8.98780400 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=2) 0 -11.09592900 22.90830500 -8.81614800 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=2) 0 -10.72708600 22.37837300 -9.69488700 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=2) 0 -10.69297000 23.92239800 -8.84181500 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=2) 0 -10.55771700 22.20499400 -7.55579700 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=2) 0 -10.77363700 22.80972600 -6.67693800 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=2) 0 -11.16999000 20.82417300 -7.35428300 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=2) 0 -10.95988300 20.18835000 -8.21421000 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=2) 0 -10.74154500 20.37474500 -6.46226300 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=2) 0 -12.24175400 20.89378800 -7.19525900 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=2) 0 -9.04645100 22.04981600 -7.65755100 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=2) 0 -8.59703300 23.03275300 -7.77090400 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=2) 0 -8.66148500 21.58927700 -6.74716800 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=2) 0 -8.78547700 21.42468600 -8.51150900 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=2) 0 -13.29204000 23.58831900 -7.65512300 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=2) 0 -12.70110500 24.44223200 -6.98941900 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=3) 0 -14.52349100 23.16885200 -7.34284300 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=3) 0 -14.98428500 22.51194000 -7.96196300 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=3) 0 -15.24592800 23.60269000 -6.13591700 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=3) 0 -14.53108900 23.59646000 -5.31398400 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=3) 0 -15.73809000 25.04931700 -6.34471500 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=3) 0 -15.25297600 25.47969800 -7.21875300 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=3) 0 -16.80861400 25.07340300 -6.52981000 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=3) 0 -15.38530900 25.92898100 -5.14093700 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=3) 0 -16.00543300 25.64128800 -4.29527300 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=3) 0 -14.33517600 25.78943900 -4.87943500 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=3) 0 -15.60435100 27.40763900 -5.46667300 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=3) 0 -14.96192800 27.66993700 -6.30702600 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=3) 0 -16.64017000 27.57320200 -5.76273100 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=3) 0 -15.26904700 28.26854900 -4.32402200 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=3) 0 -14.38878700 28.76544300 -4.34749100 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=3) 0 -15.97816200 28.42588600 -3.22566000 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=3) 0 -17.13546400 27.86746600 -3.03730500 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=3) 0 -17.55147800 27.29426100 -3.76198000 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=3) 0 -17.59186600 27.99824300 -2.15375100 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=3) 0 -15.51016600 29.15147200 -2.26245600 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=3) 0 -14.61260600 29.60121500 -2.38385800 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=3) 0 -15.97445100 29.16129200 -1.36376300 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=3) 0 -16.36499200 22.63302300 -5.73178800 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=3) 0 -16.72373500 21.75188200 -6.50904100 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=4) 0 -16.83093900 22.76017500 -4.48426200 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=4) 0 -16.42149200 23.51678900 -3.94545700 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=4) 0 -17.77002800 21.91004600 -3.72151600 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=4) 0 -17.35657800 21.89541700 -2.71350200 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=4) 0 -19.15772400 22.55344000 -3.57866000 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=4) 0 -19.04919100 23.61989400 -3.37411200 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=4) 0 -19.72593800 22.43095300 -4.49604600 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=4) 0 -19.91869100 21.90349000 -2.41596600 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=4) 0 -19.90843700 20.81769900 -2.51790500 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=4) 0 -19.42888700 22.17041500 -1.47976900 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=4) 0 -21.37465900 22.36095700 -2.38957100 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=4) 0 -21.41781200 23.44919000 -2.31291300 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=4) 0 -21.84036200 22.04725200 -3.32413800 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=4) 0 -22.08485300 21.75194000 -1.25589000 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=4) 0 -21.51763600 21.40845300 -0.48653800 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=4) 0 -23.38753500 21.63850800 -1.10749600 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=4) 0 -24.23671800 22.09762100 -1.97591400 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=4) 0 -23.90933900 22.53245800 -2.83389100 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=4) 0 -25.22461300 21.99248900 -1.79239900 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=4) 0 -23.88901500 21.04539900 -0.06886000 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=4) 0 -23.29913000 20.59496500 0.62293700 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=4) 0 -24.89559700 20.95490800 -0.03444900 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=4) 0 -17.80873000 20.42933200 -4.10595600 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=4) 0 -17.09909600 19.65180500 -3.47917800 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=5) 0 -18.61055700 20.02772400 -5.09426000 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=5) 0 -19.13218900 20.72816000 -5.61044400 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=5) 0 -18.74002200 18.62810600 -5.51949700 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=5) 0 -18.86126300 18.01860000 -4.62172000 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=5) 0 -20.02124700 18.48487000 -6.35114400 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=5) 0 -19.92043800 19.03424800 -7.28689500 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=5) 0 -20.19972800 17.43221700 -6.57496400 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=5) 0 -20.87416500 18.87295700 -5.79308800 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=5) 0 -17.49449600 18.06794000 -6.24714800 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=5) 0 -17.53085100 16.94116400 -6.74665100 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=6) 0 -16.40965400 18.84499100 -6.32195500 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=6) 0 -16.51448700 19.80754700 -6.03199200 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=6) 0 -15.09300500 18.42845600 -6.80373100 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=6) 0 -15.10792500 17.34692800 -6.94297000 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=6) 0 -14.84937600 19.12401600 -8.15904700 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=6) 0 -15.80318600 19.32712200 -8.65034000 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=6) 0 -14.37212700 20.08597600 -7.97390300 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=6) 0 -13.98593100 18.29270400 -9.12196200 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=6) 0 -13.12032500 17.87946400 -8.60693200 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=6) 0 -14.80465600 17.15375200 -9.72293600 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=6) 0 -15.67514400 17.55147000 -10.23802300 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=6) 0 -14.19302300 16.59695900 -10.42796500 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=6) 0 -15.13736700 16.47483700 -8.94023700 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=6) 0 -13.49086200 19.17345300 -10.26525400 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=6) 0 -12.80249600 19.91765200 -9.87317100 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=6) 0 -12.96090300 18.55872300 -10.99153800 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=6) 0 -14.32810000 19.67194700 -10.75019400 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=6) 0 -13.95072800 18.71649100 -5.80451000 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=6) 0 -12.78850000 18.45693100 -6.12401200 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=7) 0 -14.22821100 19.27067600 -4.61651000 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=7) 0 -15.19429800 19.27784900 -4.30471200 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=7) 0 -13.21409400 19.86728100 -3.73395500 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=7) 0 -12.22581700 19.51215200 -4.03048600 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=7) 0 -13.25686300 21.39491800 -3.93969000 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=7) 0 -13.05685900 21.61017100 -4.98947900 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=7) 0 -14.26478200 21.73916200 -3.70729700 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=7) 0 -12.27056400 22.20074800 -3.07363000 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=7) 0 -12.48363500 22.03735600 -2.01750500 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=7) 0 -10.81942500 21.82165600 -3.35327600 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=7) 0 -10.59666000 21.91091900 -4.41542800 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=7) 0 -10.16238100 22.48418700 -2.79710000 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=7) 0 -10.62173100 20.80140800 -3.02731900 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=7) 0 -12.43484700 23.69179900 -3.36432300 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=7) 0 -13.45772300 23.99920300 -3.15332800 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=7) 0 -11.76400900 24.26604900 -2.72506000 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=7) 0 -12.19645500 23.89596400 -4.40615000 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=7) 0 -13.40424600 19.50846900 -2.25169100 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=7) 0 -14.39082500 19.91034200 -1.63101000 L N-N--0.415700(PDBName=N,ResName=CYS,ResNum=8) 0 -12.39556400 18.87589200 -1.64894800 L H-H-0.271900(PDBName=H,ResName=CYS,ResNum=8) 0 -11.61183700 18.56348200 -2.21346900 L C-CT-0.021300(PDBName=CA,ResName=CYS,ResNum=8) 0 -12.29874400 18.72119900 -0.19831600 L H-H1-0.112400(PDBName=HA,ResName=CYS,ResNum=8) 0 -13.24726800 18.33052200 0.17552500 L C-CT--0.123100(PDBName=CB,ResName=CYS,ResNum=8) 0 -11.19680000 17.71150500 0.13247700 L H-H1-0.111200(PDBName=HB2,ResName=CYS,ResNum=8) 0 -11.30273400 16.83733700 -0.50428200 L H-H1-0.111200(PDBName=HB3,ResName=CYS,ResNum=8) 0 -10.21365800 18.15095900 -0.04353100 L S-SH--0.311900(PDBName=SG,ResName=CYS,ResNum=8) 0 -11.35204500 17.22222900 1.87336900 L H-HS-0.193300(PDBName=HG,ResName=CYS,ResNum=8) 0 -12.43427100 16.44266900 1.70744400 L C-C-0.597300(PDBName=C,ResName=CYS,ResNum=8) 0 -12.02173100 20.07997500 0.46224900 L O-O--0.567900(PDBName=O,ResName=CYS,ResNum=8) 0 -10.89378500 20.57773000 0.44993900 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=9) 0 -13.05411900 20.70207100 1.02567700 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=9) 0 -13.95740600 20.24429100 1.01504900 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=9) 0 -12.97455200 22.02531300 1.63976800 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=9) 0 -12.14999300 22.56747600 1.17697600 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=9) 0 -14.29236600 22.75675500 1.33626400 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=9) 0 -14.64886900 22.47861400 0.34260000 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=9) 0 -15.04024700 22.43145700 2.05928600 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=9) 0 -14.16201900 24.28131200 1.39194900 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=9) 0 -13.62021400 24.56232800 2.29149200 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=9) 0 -13.43731400 24.83014400 0.15900700 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=9) 0 -13.98832900 24.59988100 -0.74633700 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=9) 0 -13.33148400 25.90947500 0.23979800 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=9) 0 -12.44339300 24.39657200 0.07061300 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=9) 0 -15.55289400 24.89879400 1.46276300 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=9) 0 -16.01861800 24.61846300 2.40641000 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=9) 0 -15.47437300 25.98122400 1.41827800 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=9) 0 -16.16819400 24.54169900 0.64040600 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=9) 0 -12.67966100 21.92037400 3.14529700 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=9) 0 -13.10782700 20.95750600 3.78366500 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=10) 0 -11.97714100 22.90139300 3.71945600 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=10) 0 -11.66423700 23.67406700 3.14333800 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=10) 0 -11.61386900 22.93694900 5.14065400 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=10) 0 -11.31111000 21.93756500 5.45414900 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=10) 0 -10.40350000 23.86890500 5.30046800 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=10) 0 -10.66673800 24.88618100 5.00830500 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=10) 0 -10.07865000 23.86738900 6.34160900 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=10) 0 -9.58072000 23.52192300 4.67505100 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=10) 0 -12.81518600 23.36337900 6.00813800 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=10) 0 -13.02572100 24.55679800 6.24728700 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=11) 0 -13.67533400 22.41221700 6.38940600 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=11) 0 -13.44796800 21.44653500 6.16354100 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=11) 0 -15.03201800 22.70384700 6.89615000 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=11) 0 -14.97003600 23.57466000 7.54851000 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=11) 0 -15.90008300 23.08417600 5.66865800 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=11) 0 -15.26218200 23.61918800 4.96354300 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=11) 0 -16.44920900 21.88020400 4.89993900 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=11) 0 -17.35298600 21.48601100 5.36092600 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=11) 0 -16.67605600 22.18195600 3.88278500 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=11) 0 -15.69591500 21.09407800 4.85826200 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=11) 0 -17.00508100 24.08523100 6.01509700 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=11) 0 -16.57493800 24.94405300 6.53109900 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=11) 0 -17.46536100 24.43918100 5.09553000 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=11) 0 -17.77318200 23.63859100 6.63845000 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=11) 0 -15.59985200 21.54792800 7.75173700 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=11) 0 -14.83588200 20.71436200 8.24465300 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=12) 0 -16.91972000 21.51156700 7.97209500 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=12) 0 -17.47747100 22.26171100 7.59735100 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=12) 0 -17.65208900 20.38911600 8.56407000 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=12) 0 -17.01860700 19.50001300 8.56047100 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=12) 0 -17.96991600 20.73310600 10.02587400 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=12) 0 -18.57897200 21.63650300 10.07982300 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=12) 0 -18.51474100 19.90632400 10.48355600 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=12) 0 -17.04173300 20.88788700 10.57754900 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=12) 0 -18.91375500 20.05146400 7.73579300 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=12) 0 -20.00613500 20.57329400 7.98288500 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=13) 0 -18.76259800 19.20313200 6.72067200 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=13) 0 -17.82213600 18.85871500 6.53986800 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=13) 0 -19.83252400 18.63855500 5.89282100 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=13) 0 -20.79940100 18.95748400 6.27922100 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=13) 0 -19.68784300 19.18502500 4.46657100 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=13) 0 -18.72081900 18.89335900 4.05201600 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=13) 0 -20.47864300 18.78423200 3.83158000 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=13) 0 -19.75781000 20.27313800 4.47754400 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=13) 0 -19.80455000 17.09746100 5.93802800 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=13) 0 -18.75403400 16.51481200 6.21782900 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=14) 0 -20.94213600 16.44474900 5.66528900 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=14) 0 -21.75395700 17.01312400 5.46568700 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=14) 0 -21.15170800 14.98477300 5.69909100 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=14) 0 -22.22868200 14.82915000 5.62339100 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=14) 0 -20.56463400 14.36215100 4.41474900 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=14) 0 -21.13989500 14.74991600 3.57239600 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=14) 0 -19.54844800 14.72334100 4.29038200 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=14) 0 -20.52821400 12.82632100 4.30622300 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=14) 0 -19.86153400 12.42156300 5.06291500 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=14) 0 -21.89804900 12.17918700 4.48484600 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=14) 0 -22.57278500 12.51966000 3.70464100 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=14) 0 -21.79796800 11.09554600 4.41438800 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=14) 0 -22.30887400 12.41811300 5.46461600 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=14) 0 -19.97715900 12.45596600 2.92813600 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=14) 0 -18.95126800 12.81130200 2.83268800 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=14) 0 -19.98589900 11.37636700 2.80025000 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=14) 0 -20.58303200 12.90610200 2.14564800 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=14) 0 -20.76831700 14.33642300 7.05121500 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=14) 0 -21.63461000 14.22197800 7.92072900 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=15) 0 -19.50548300 13.96488200 7.26541600 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=15) 0 -18.84716700 14.12574500 6.51039100 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=15) 0 -18.94652000 13.48416600 8.54864900 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=15) 0 -19.47347200 13.97705700 9.36630200 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=15) 0 -19.15809100 11.95913000 8.69081600 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=15) 0 -20.21107000 11.75331400 8.50137200 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=15) 0 -18.33528200 11.12652000 7.70140700 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=15) 0 -17.27179500 11.27747300 7.87634000 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=15) 0 -18.55961800 10.06774500 7.83368200 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=15) 0 -18.57782300 11.40549800 6.67903100 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=15) 0 -18.85798700 11.46910100 10.10807100 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=15) 0 -19.46889500 12.01896700 10.81938200 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=15) 0 -19.10236800 10.40987900 10.18710600 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=15) 0 -17.80586700 11.59891400 10.35447500 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=15) 0 -17.46382900 13.86765700 8.65481500 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=15) 0 -16.80423500 14.00688100 7.62185500 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=16) 0 -16.90370600 14.04912400 9.85777100 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=16) 0 -17.48231900 13.94615800 10.68664300 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=16) 0 -15.45798400 14.29599100 10.03191300 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=16) 0 -15.19405100 15.18857500 9.46617200 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=16) 0 -15.13592800 14.54462000 11.51576300 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=16) 0 -15.84083400 15.26434200 11.92627300 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=16) 0 -15.26932600 13.60822100 12.05739600 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=16) 0 -13.71234600 15.08513300 11.75426800 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=16) 0 -13.00206400 14.64508100 11.06175300 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=16) 0 -13.70537600 16.16639600 11.61172500 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=16) 0 -13.24368300 14.74068600 13.16700600 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=16) 0 -13.90006500 15.23131500 13.88244200 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=16) 0 -13.32588800 13.66314900 13.31667300 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=16) 0 -11.85722300 15.16412400 13.42007700 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=16) 0 -11.72966900 15.94578700 14.05193300 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=16) 0 -10.76212700 14.48932400 13.12757300 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=16) 0 -10.74983900 13.38914800 12.43808400 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=16) 0 -11.61272300 12.94721800 12.13890000 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=16) 0 -9.88883900 12.86694600 12.39227100 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=16) 0 -9.60173200 14.89378900 13.54201500 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=16) 0 -9.53064200 15.64367300 14.21557000 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=16) 0 -8.82621000 14.25813000 13.41041700 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=16) 0 -14.62375500 13.11891900 9.50588000 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=16) 0 -14.98777900 11.96272000 9.71997800 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=17) 0 -13.46325300 13.41690100 8.91954400 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=17) 0 -13.25395300 14.39407300 8.75644700 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=17) 0 -12.41097100 12.44727900 8.61488700 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=17) 0 -12.78281500 11.79232900 7.83161900 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=17) 0 -11.19849600 13.21286700 8.07464900 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=17) 0 -10.79341900 13.86922800 8.84633000 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=17) 0 -10.42233200 12.51610100 7.75496600 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=17) 0 -11.50044100 13.81184500 7.21671200 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=17) 0 -12.03663900 11.54179200 9.80776800 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=17) 0 -12.44050900 11.78484700 10.94529600 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=18) 0 -11.29703700 10.46745300 9.52594900 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=18) 0 -10.96835900 10.39249400 8.57281400 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=18) 0 -11.25465800 9.20557800 10.28721400 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=18) 0 -10.52309700 8.58379500 9.77163200 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=18) 0 -10.70299900 9.38265000 11.71170100 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=18) 0 -9.74369700 9.89802100 11.66126700 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=18) 0 -11.38396500 9.98808900 12.30788300 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=18) 0 -10.51547500 8.03085900 12.40366500 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=18) 0 -9.55884700 7.30623800 12.04745800 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=18) 0 -11.32963200 7.69471000 13.30210200 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=18) 0 -12.56648400 8.39706700 10.23989600 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=18) 0 -12.50720800 7.16927500 10.26870800 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=19) 0 -13.73121000 9.02528200 10.04874900 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=19) 0 -13.74516300 10.03633500 10.06011900 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=19) 0 -14.89783900 8.35255400 9.48125600 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=19) 0 -14.81451500 7.28009800 9.64065900 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=19) 0 -16.17681500 8.77433200 10.20867700 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=19) 0 -16.36066200 9.83452900 10.05772000 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=19) 0 -17.02308300 8.21532900 9.80723600 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=19) 0 -16.08711800 8.56627800 11.27341300 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=19) 0 -14.96439800 8.64065300 7.96843200 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=19) 0 -15.23426000 9.77709300 7.57296700 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=20) 0 -14.72899100 7.64485400 7.10138600 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=20) 0 -14.15351600 6.34688100 7.41265200 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=20) 0 -14.80559200 5.77441100 8.07308900 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=20) 0 -13.17369200 6.47696400 7.86901100 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=20) 0 -14.01122700 5.62318400 6.07890400 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=20) 0 -14.79663500 4.87383700 5.98253000 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=20) 0 -13.02499800 5.17804900 6.00505400 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=20) 0 -14.20364400 6.70576900 5.02197100 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=20) 0 -14.58172000 6.30060400 4.08305400 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=20) 0 -13.25353500 7.20964700 4.85109700 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=20) 0 -15.17478500 7.66777900 5.71355300 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=20) 0 -15.09637500 8.66112500 5.27127300 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=20) 0 -16.64229700 7.20217800 5.68956500 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=20) 0 -17.33718200 7.24191600 6.71187700 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=21) 0 -17.12887300 6.67934700 4.56413200 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=21) 0 -16.54261700 6.62975400 3.74622900 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=21) 0 -18.30399400 5.81251100 4.64019100 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=21) 0 -18.94013400 6.24915400 5.39648600 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=21) 0 -19.10367300 5.81871100 3.33173700 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=21) 0 -19.18013100 6.84415700 2.97108900 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=21) 0 -18.58312800 5.23120600 2.57512600 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=21) 0 -20.52591400 5.27443000 3.53077400 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=21) 0 -21.09263800 5.47210600 2.62019200 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=21) 0 -20.47253700 4.19473000 3.68140300 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=21) 0 -21.23074100 5.92482400 4.73089000 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=21) 0 -21.73054500 7.06855100 4.61226500 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=21) 0 -21.11203200 5.38962700 5.86058600 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=21) 0 -17.90681700 4.41344200 5.13847300 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=21) 0 -16.92157600 3.85880300 4.66092400 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=22) 0 -18.62287000 3.85323300 6.11934400 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=22) 0 -19.48894500 4.30125400 6.40225400 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=22) 0 -18.27851000 2.57668000 6.77119000 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=22) 0 -17.91903500 1.90260400 5.99949000 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=22) 0 -17.12234700 2.73949000 7.78172000 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=22) 0 -16.97329500 1.78034500 8.28010900 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=22) 0 -16.20331800 2.96912500 7.24386500 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=22) 0 -17.32598800 3.82656400 8.84366800 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=22) 0 -17.10382200 4.80476900 8.41237600 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=22) 0 -18.36501600 3.83213400 9.16574500 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=22) 0 -16.43070900 3.57305200 10.05915400 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=22) 0 -15.21124600 3.85341500 10.00789800 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=22) 0 -16.94543900 3.08789900 11.10109900 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=22) 0 -19.48109400 1.87220600 7.43401500 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=22) 0 -20.39375600 2.51881800 7.95660800 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=23) 0 -19.46009100 0.53761500 7.42458800 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=23) 0 -18.64804600 0.08642500 7.00443000 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=23) 0 -20.43428100 -0.38954200 8.02376600 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=23) 0 -21.01256800 0.11166700 8.80085500 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=23) 0 -21.38252100 -0.95347600 6.94788800 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=23) 0 -20.77215800 -1.40813300 6.16737900 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=23) 0 -21.98814400 -1.74094600 7.39841300 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=23) 0 -22.33258000 0.07553000 6.31008800 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=23) 0 -23.05342900 0.39548900 7.06312100 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=23) 0 -21.76131100 0.95019000 5.99907000 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=23) 0 -23.08182300 -0.46489400 5.07769100 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=23) 0 -22.94393800 -1.66802000 4.73040400 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=23) 0 -23.80711200 0.32726500 4.42804400 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=23) 0 -19.65201000 -1.56002300 8.64412100 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=23) 0 -18.71668800 -2.05298900 8.02022000 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=24) 0 -19.98422100 -2.00878100 9.86062300 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=24) 0 -20.78822800 -1.60907700 10.31925200 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=24) 0 -19.13617700 -2.93290300 10.65020200 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=24) 0 -19.55217000 -2.96466600 11.65805000 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=24) 0 -19.19528900 -4.37275300 10.10279500 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=24) 0 -18.77425800 -4.40985300 9.09728500 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=24) 0 -18.57958100 -5.00404100 10.74143300 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=24) 0 -20.59447600 -4.97325900 10.09612300 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=24) 0 -21.07272500 -5.39788000 9.01515200 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=24) 0 -21.19164500 -5.11043700 11.18488000 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=24) 0 -17.67386100 -2.44591500 10.81575700 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=24) 0 -16.74807700 -3.24394300 10.97318000 L N-N--0.415700(PDBName=N,ResName=HID,ResNum=25) 0 -17.44382600 -1.13130500 10.73855100 L H-H-0.271900(PDBName=H,ResName=HID,ResNum=25) 0 -18.25357000 -0.52318100 10.66118900 L C-CT-0.018800(PDBName=CA,ResName=HID,ResNum=25) 0 -16.13511000 -0.47746000 10.59217400 L H-H1-0.088100(PDBName=HA,ResName=HID,ResNum=25) 0 -16.35266500 0.57937500 10.45085500 L C-CT--0.046200(PDBName=CB,ResName=HID,ResNum=25) 0 -15.32636200 -0.57308400 11.89344400 L H-HC-0.040200(PDBName=HB2,ResName=HID,ResNum=25) 0 -15.02264200 -1.60703900 12.06109100 L H-HC-0.040200(PDBName=HB3,ResName=HID,ResNum=25) 0 -14.42237600 0.02802800 11.79757800 L C-CC--0.026600(PDBName=CG,ResName=HID,ResNum=25) 0 -16.09565900 -0.07871900 13.08921600 L N-NA--0.381100(PDBName=ND1,ResName=HID,ResNum=25) 0 -16.72160100 1.14106900 13.20378200 L H-H-0.364900(PDBName=HD1,ResName=HID,ResNum=25) 0 -16.78275400 1.85276800 12.47762700 L C-CR-0.205700(PDBName=CE1,ResName=HID,ResNum=25) 0 -17.32286200 1.19265700 14.40248900 L H-H5-0.139200(PDBName=HE1,ResName=HID,ResNum=25) 0 -17.91018800 2.02714500 14.76795800 L N-NB--0.572700(PDBName=NE2,ResName=HID,ResNum=25) 0 -17.09346500 0.05764300 15.08534600 L C-CV-0.129200(PDBName=CD2,ResName=HID,ResNum=25) 0 -16.33486100 -0.76774900 14.24509100 L H-H4-0.114700(PDBName=HD2,ResName=HID,ResNum=25) 0 -15.99968000 -1.77330700 14.46471800 L C-C-0.597300(PDBName=C,ResName=HID,ResNum=25) 0 -15.33281700 -0.86066900 9.33500200 L O-O--0.567900(PDBName=O,ResName=HID,ResNum=25) 0 -14.20461200 -0.38697800 9.16977900 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=26) 0 -15.91754500 -1.63881600 8.42175000 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=26) 0 -16.86517000 -1.95614100 8.60353100 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=26) 0 -15.41082600 -1.86959800 7.06771900 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=26) 0 -14.32665600 -1.94043800 7.11328800 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=26) 0 -15.95874300 -3.18526300 6.47373700 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=26) 0 -17.02566100 -3.08305800 6.27741500 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=26) 0 -15.25568400 -3.49784300 5.15314600 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=26) 0 -14.18160800 -3.58418000 5.31037300 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=26) 0 -15.63508600 -4.44046300 4.75697400 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=26) 0 -15.45823300 -2.71024800 4.43286900 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=26) 0 -15.75355800 -4.39791600 7.39021200 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=26) 0 -16.17627900 -5.28653000 6.91924700 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=26) 0 -14.69215800 -4.56107400 7.56574500 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=26) 0 -16.26449200 -4.24393000 8.33976000 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=26) 0 -15.81427600 -0.67374800 6.20139600 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=26) 0 -16.99346500 -0.32467100 6.13001800 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=27) 0 -14.85670400 -0.01250700 5.54956500 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=27) 0 -13.90315200 -0.34697700 5.63444600 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=27) 0 -15.12471800 1.19712000 4.76776700 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=27) 0 -15.71302400 1.86181700 5.39386400 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=27) 0 -13.84215900 1.95825900 4.37377300 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=27) 0 -13.49618000 1.57013400 3.41989800 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=27) 0 -14.13772200 2.99418100 4.20625800 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=27) 0 -12.62517700 1.94799700 5.31541000 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=27) 0 -12.17057200 0.96542200 5.29344900 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=27) 0 -11.57520700 2.90783500 4.75953000 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=27) 0 -11.97349400 3.91304200 4.67165000 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=27) 0 -10.70050700 2.91634800 5.40917900 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=27) 0 -11.27958900 2.57008100 3.76742600 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=27) 0 -12.94210400 2.28400200 6.77126900 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=27) 0 -13.37565100 1.41158200 7.25682300 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=27) 0 -12.02973100 2.55725700 7.29775500 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=27) 0 -13.65451500 3.09807700 6.83572300 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=27) 0 -15.95530000 0.84356000 3.52404700 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=27) 0 -15.50913200 0.06197800 2.68942300 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=28) 0 -17.14999600 1.40551600 3.36368300 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=28) 0 -17.41022400 2.14601100 4.00441200 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=28) 0 -18.05862700 1.06740700 2.25580900 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=28) 0 -17.81360800 0.06363000 1.90576800 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=28) 0 -19.53102300 1.02517400 2.68768300 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=28) 0 -19.91865400 2.03102200 2.83902100 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=28) 0 -20.36100500 0.30201100 1.62728100 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=28) 0 -21.41642500 0.32691300 1.89883000 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=28) 0 -20.24401000 0.77724300 0.65398200 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=28) 0 -20.03186200 -0.73141300 1.56271600 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=28) 0 -19.68407000 0.25120000 3.99196200 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=28) 0 -19.51105200 0.93136100 4.81591300 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=28) 0 -20.69000200 -0.14415600 4.07154900 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=28) 0 -18.96256600 -0.56199100 4.04317400 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=28) 0 -17.80235500 2.01890800 1.10030700 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=28) 0 -18.49799800 3.02245200 0.92301300 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=29) 0 -16.72707700 1.73810000 0.36738000 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=29) 0 -16.23154800 0.87746100 0.56786000 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=29) 0 -16.15871200 2.67108900 -0.59857900 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=29) 0 -16.29590700 3.67469100 -0.19551800 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=29) 0 -14.64362100 2.45461600 -0.74916000 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=29) 0 -14.46545300 1.45993800 -1.15997100 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=29) 0 -14.25925800 3.19180700 -1.45604500 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=29) 0 -13.87345700 2.59509200 0.57835100 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=29) 0 -14.16830200 1.78440500 1.23646900 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=29) 0 -12.37075600 2.47679300 0.33471700 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=29) 0 -12.02763900 3.29948500 -0.29008200 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=29) 0 -11.83796900 2.50305300 1.28430600 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=29) 0 -12.15068900 1.53104200 -0.15916400 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=29) 0 -14.14664800 3.91661100 1.30045900 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=29) 0 -15.16854600 3.93527600 1.67754200 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=29) 0 -13.47998300 4.01613700 2.15412300 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=29) 0 -13.99421600 4.75212400 0.61660400 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=29) 0 -16.92018900 2.66881700 -1.92328000 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=29) 0 -17.51127200 1.67022300 -2.33877100 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=30) 0 -16.92936800 3.84234900 -2.54688300 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=30) 0 -16.33541300 4.56575000 -2.15008500 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=30) 0 -17.77613400 4.24977500 -3.66680200 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=30) 0 -18.40548500 3.41752100 -3.97579800 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=30) 0 -18.64814300 5.44235500 -3.21126900 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=30) 0 -18.10905800 6.02104600 -2.46047700 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=30) 0 -18.79607900 6.10196200 -4.06203200 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=30) 0 -20.05068800 5.13159600 -2.67205400 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=30) 0 -20.47147800 6.05085500 -2.26227800 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=30) 0 -20.68840100 4.83574200 -3.49686000 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=30) 0 -20.11761000 4.04619800 -1.60257900 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=30) 0 -19.59546900 3.15392600 -1.94486900 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=30) 0 -19.63823100 4.42842000 -0.70235300 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=30) 0 -21.51745900 3.68322600 -1.34519100 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=30) 0 -22.15828500 3.71041500 -2.13041100 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=30) 0 -22.06835000 3.34488100 -0.20132200 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=30) 0 -21.40177700 3.28749200 0.90765400 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=30) 0 -20.39844400 3.40483100 0.90594900 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=30) 0 -21.94418800 3.26694100 1.76877100 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=30) 0 -23.33119900 3.05891400 -0.15880600 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=30) 0 -23.87483200 3.12347000 -1.00709200 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=30) 0 -23.71127300 2.65631100 0.69350600 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=30) 0 -16.92366900 4.65109000 -4.86635600 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=30) 0 -15.78850900 5.09850700 -4.69670500 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=31) 0 -17.50499900 4.62751600 -6.07021000 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=31) 0 -18.45375700 4.25503300 -6.11902200 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=31) 0 -16.89192900 5.23157700 -7.27586900 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=31) 0 -15.90762500 4.77697800 -7.40578100 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=31) 0 -17.69981700 4.89285300 -8.54671400 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=31) 0 -17.23212500 5.37886600 -9.40338900 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=31) 0 -17.64869000 3.81434700 -8.70399800 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=31) 0 -19.17740600 5.30524000 -8.47835600 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=31) 0 -19.63294200 4.77429700 -7.65271000 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=31) 0 -19.25586400 6.37587100 -8.29521100 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=31) 0 -19.99290100 4.93691100 -9.72004400 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=31) 0 -19.71829600 3.93630100 -10.05287100 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=31) 0 -21.04656000 4.91517100 -9.43874400 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=31) 0 -19.80994100 5.94700200 -10.85522800 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=31) 0 -20.09515400 6.93983500 -10.49446000 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=31) 0 -18.75753900 5.96892700 -11.15209800 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=31) 0 -20.65447400 5.57682100 -12.01004300 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=31) 0 -21.63782800 5.50786800 -11.75554800 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=31) 0 -20.57427900 6.23711400 -12.78040600 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=31) 0 -20.37987300 4.66502700 -12.37215900 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=31) 0 -16.59057200 6.73626600 -7.12617900 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=31) 0 -15.80949400 7.27435500 -7.90544800 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=32) 0 -17.10425500 7.40459400 -6.08816500 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=32) 0 -17.78584200 6.93923100 -5.50920000 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=32) 0 -16.61770700 8.70957500 -5.62180000 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=32) 0 -16.46349600 9.35393700 -6.48822900 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=32) 0 -17.66025500 9.39263900 -4.72601600 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=32) 0 -17.21459800 10.27717300 -4.26972300 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=32) 0 -18.51331900 9.70527500 -5.32213000 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=32) 0 -18.10892300 8.53159700 -3.70239200 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=32) 0 -18.44842600 9.10176100 -2.97396900 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=32) 0 -15.28559400 8.64330400 -4.85798600 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=32) 0 -14.32956400 9.30222500 -5.26819200 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=33) 0 -15.23424300 7.90648800 -3.74180900 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=33) 0 -16.01993400 7.28881200 -3.58684100 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=33) 0 -14.47852200 8.28565000 -2.53569900 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=33) 0 -14.08370500 9.28807000 -2.69807700 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=33) 0 -15.46647700 8.37181200 -1.35019500 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=33) 0 -14.98664800 8.91107300 -0.53842700 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=33) 0 -16.34008600 8.94576000 -1.64686700 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=33) 0 -15.92806700 7.02679400 -0.79982700 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=33) 0 -15.59267600 5.96079700 -1.28629600 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=33) 0 -16.73215100 7.01260100 0.23448300 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=33) 0 -17.02808400 6.11766600 0.57617800 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=33) 0 -17.05562300 7.87906300 0.65448100 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=33) 0 -13.25181800 7.41607000 -2.19392400 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=33) 0 -12.74782600 7.48668400 -1.06721400 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=34) 0 -12.80314200 6.56544500 -3.11842200 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=34) 0 -13.29712900 6.52314100 -3.99826200 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=34) 0 -11.80448300 5.53648800 -2.82764200 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=34) 0 -12.13332700 4.99123100 -1.94240900 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=34) 0 -11.75016800 4.54679000 -3.98732600 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=34) 0 -12.74078400 4.10874500 -4.10672900 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=34) 0 -11.49947200 5.07076400 -4.91082200 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=34) 0 -10.74515600 3.44227700 -3.74563100 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=34) 0 -11.08535700 2.37266200 -2.90109300 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=34) 0 -12.06851200 2.32693300 -2.46145400 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=34) 0 -10.14889200 1.36510900 -2.62696300 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=34) 0 -10.41179600 0.55728900 -1.96314900 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=34) 0 -8.87716000 1.41093900 -3.22222700 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=34) 0 -8.15555900 0.63340500 -3.02727200 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=34) 0 -8.54198800 2.46657500 -4.08452600 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=34) 0 -7.57522000 2.47795300 -4.56595800 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=34) 0 -9.46854100 3.49296700 -4.33457000 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=34) 0 -9.20399300 4.30642700 -4.99590400 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=34) 0 -10.41033700 6.08973300 -2.50583700 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=34) 0 -9.87703300 5.81282900 -1.43075000 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=35) 0 -9.82326200 6.90527000 -3.38673000 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=35) 0 -10.26733900 7.08255400 -4.27771800 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=35) 0 -8.51215600 7.49900000 -3.11846800 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=35) 0 -7.81143000 6.69491400 -2.88859200 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=35) 0 -8.01764800 8.20173900 -4.37854000 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=35) 0 -8.66173900 9.05015100 -4.60156600 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=35) 0 -6.99960300 8.55488200 -4.21354300 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=35) 0 -8.01755700 7.50818200 -5.21866900 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=35) 0 -8.53930500 8.44442800 -1.90089100 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=35) 0 -7.56459300 8.51916500 -1.16256500 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=36) 0 -9.67818400 9.07823600 -1.61140000 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=36) 0 -10.43152500 9.02542700 -2.28752200 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=36) 0 -9.92463700 9.84602800 -0.38480300 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=36) 0 -9.14258300 10.59719400 -0.26925200 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=36) 0 -11.26612000 10.56655800 -0.57224000 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=36) 0 -11.15074500 11.30763400 -1.36350700 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=36) 0 -12.00068100 9.83868300 -0.90659000 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=36) 0 -11.85281000 11.27313500 0.64926800 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=36) 0 -11.80613000 10.63520800 1.52801900 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=36) 0 -11.28723200 12.17991800 0.85898500 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=36) 0 -13.31439400 11.59758100 0.35641500 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=36) 0 -13.58126300 12.47224400 -0.50006100 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=36) 0 -14.21662100 10.95717700 0.94921400 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=36) 0 -9.92504100 8.96277600 0.87899700 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=36) 0 -9.54530600 9.43021100 1.95676600 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=37) 0 -10.31848000 7.69015100 0.78139000 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=37) 0 -10.63681300 7.34496500 -0.11791700 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=37) 0 -10.19697700 6.73115400 1.87831000 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=37) 0 -10.51179400 7.20391700 2.80558000 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=37) 0 -11.13159500 5.55071000 1.63325300 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=37) 0 -12.14371500 5.92222700 1.48057100 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=37) 0 -10.81162700 4.99067100 0.75731700 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=37) 0 -11.11605500 4.88985200 2.49908800 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=37) 0 -8.74295600 6.29580200 2.07568200 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=37) 0 -8.26417300 6.30700300 3.20934300 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=38) 0 -8.00830400 6.02837600 0.98869600 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=38) 0 -8.47079400 6.02966700 0.08432000 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=38) 0 -6.56049600 5.80176200 1.05206400 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=38) 0 -6.36677400 4.95540500 1.71184700 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=38) 0 -6.00021500 5.47884400 -0.34807800 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=38) 0 -6.13052500 6.35210000 -0.98589700 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=38) 0 -4.93148300 5.30712500 -0.22611600 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=38) 0 -6.55947000 4.27145100 -1.11449500 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=38) 0 -7.57659800 4.48189600 -1.43950200 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=38) 0 -5.68085100 4.04938200 -2.34660800 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=38) 0 -4.65434600 3.83072000 -2.05007800 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=38) 0 -6.06575800 3.21231600 -2.92500900 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=38) 0 -5.68577700 4.94569900 -2.96527000 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=38) 0 -6.56131400 2.99828400 -0.27859400 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=38) 0 -7.28100600 3.10657000 0.52359500 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=38) 0 -6.86560600 2.15442700 -0.89781900 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=38) 0 -5.57053900 2.82088100 0.13943200 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=38) 0 -5.82648200 7.02192400 1.64869600 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=38) 0 -4.93972100 6.87519800 2.48970500 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=39) 0 -6.21495300 8.23572000 1.26001300 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=39) 0 -6.89229000 8.30075000 0.50723000 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=39) 0 -5.61196500 9.48021500 1.72932400 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=39) 0 -4.53010800 9.35708300 1.69827700 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=39) 0 -5.98057900 10.59291700 0.74590200 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=39) 0 -7.05579900 10.75976000 0.75020200 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=39) 0 -5.46995500 11.51661900 1.02122500 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=39) 0 -5.67056700 10.30631200 -0.25875500 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=39) 0 -5.97983300 9.84044200 3.18167100 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=39) 0 -5.36417300 10.73662100 3.76048700 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=40) 0 -6.94155700 9.14327200 3.79527800 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=40) 0 -7.44732000 8.45835900 3.25036300 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=40) 0 -7.26754600 9.25544400 5.21935300 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=40) 0 -6.83552600 10.17154600 5.62653200 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=40) 0 -8.78609500 9.37127900 5.35269800 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=40) 0 -9.26448400 8.46726500 4.97452300 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=40) 0 -9.04319400 9.50411200 6.40397100 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=40) 0 -9.14178300 10.23593800 4.79195200 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=40) 0 -6.71317300 8.08418400 6.05427900 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=40) 0 -6.32785100 8.28723500 7.20487200 L N-N--0.415700(PDBName=N,ResName=HID,ResNum=41) 0 -6.62648600 6.88044200 5.47863100 L H-H-0.271900(PDBName=H,ResName=HID,ResNum=41) 0 -6.98520100 6.77746100 4.53563900 L C-CT-0.018800(PDBName=CA,ResName=HID,ResNum=41) 0 -6.20880000 5.64687100 6.14969500 L H-H1-0.088100(PDBName=HA,ResName=HID,ResNum=41) 0 -5.90862700 5.87087100 7.17168500 L C-CT--0.046200(PDBName=CB,ResName=HID,ResNum=41) 0 -7.40122300 4.68618200 6.22099100 L H-HC-0.040200(PDBName=HB2,ResName=HID,ResNum=41) 0 -7.69836500 4.40694900 5.21064300 L H-HC-0.040200(PDBName=HB3,ResName=HID,ResNum=41) 0 -7.09325400 3.78060900 6.74418700 L C-CC--0.026600(PDBName=CG,ResName=HID,ResNum=41) 0 -8.59072600 5.28194700 6.92862900 L N-NA--0.381100(PDBName=ND1,ResName=HID,ResNum=41) 0 -8.68166500 5.56257400 8.27159000 L H-H-0.364900(PDBName=HD1,ResName=HID,ResNum=41) 0 -7.95121900 5.41912200 8.96920800 L C-CR-0.205700(PDBName=CE1,ResName=HID,ResNum=41) 0 -9.88786400 6.09776400 8.50589400 L H-H5-0.139200(PDBName=HE1,ResName=HID,ResNum=41) 0 -10.24385100 6.39928900 9.48317100 L N-NB--0.572700(PDBName=NE2,ResName=HID,ResNum=41) 0 -10.58463600 6.20664800 7.35995600 L C-CV-0.129200(PDBName=CD2,ResName=HID,ResNum=41) 0 -9.76374700 5.68524700 6.35194800 L H-H4-0.114700(PDBName=HD2,ResName=HID,ResNum=41) 0 -10.00287800 5.62112000 5.29930600 L C-C-0.597300(PDBName=C,ResName=HID,ResNum=41) 0 -5.00811000 5.02739800 5.42616600 L O-O--0.567900(PDBName=O,ResName=HID,ResNum=41) 0 -5.14659400 4.39683900 4.37538000 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=42) 0 -3.80667700 5.23540800 5.97872200 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=42) 0 -3.78437600 5.70413000 6.88135100 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=42) 0 -2.52645900 5.04570600 5.26648000 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=42) 0 -2.61092900 5.52475500 4.29035800 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=42) 0 -1.39229500 5.75298800 6.03179800 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=42) 0 -1.56817200 5.69344000 7.10707600 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=42) 0 -0.44780800 5.24339900 5.82937800 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=42) 0 -1.21104400 7.22110000 5.60871100 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=42) 0 -0.40393600 7.64431600 6.20843300 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=42) 0 -0.89737000 7.23919100 4.56437500 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=42) 0 -2.45469300 8.11295600 5.75297700 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=42) 0 -3.23539000 7.78271400 5.06606000 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=42) 0 -2.82168300 8.07149900 6.77890200 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=42) 0 -2.05869300 9.54864500 5.40996200 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=42) 0 -1.27088100 9.86565100 6.09918600 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=42) 0 -1.64094800 9.57132600 4.40083800 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=42) 0 -3.19895800 10.48526200 5.50214400 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=42) 0 -3.62596700 10.45749000 6.42299100 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=42) 0 -2.88965300 11.44338100 5.38027300 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=42) 0 -3.90451500 10.32623700 4.79026500 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=42) 0 -2.17240400 3.59355800 4.92479100 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=42) 0 -1.30816300 3.39291500 4.07498100 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=43) 0 -2.87511400 2.61507300 5.49986000 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=43) 0 -3.58052300 2.88301100 6.16762400 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=43) 0 -2.83273400 1.20099600 5.11171200 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=43) 0 -2.33377900 1.10256200 4.14585700 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=43) 0 -2.05834400 0.37643200 6.15303400 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=43) 0 -2.66874800 0.29369900 7.04956000 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=43) 0 -1.91308700 -0.62510200 5.75541200 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=43) 0 -0.71905400 0.96180000 6.54637600 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=43) 0 0.22684300 1.25083100 5.54855200 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=43) 0 0.03629100 0.97966600 4.51967600 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=43) 0 1.35691300 2.01965900 5.86343100 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=43) 0 2.03191500 2.31564000 5.07953400 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=43) 0 1.57256600 2.46006500 7.18509700 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=43) 0 2.61058200 3.28767700 7.45698100 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=43) 0 2.98064400 3.61165200 6.61196300 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=43) 0 0.68067400 2.07667200 8.20571000 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=43) 0 0.84963000 2.40644900 9.22187700 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=43) 0 -0.47321400 1.34032400 7.88170100 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=43) 0 -1.19361500 1.12323700 8.65924100 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=43) 0 -4.25837000 0.66451000 4.97489900 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=43) 0 -5.05941600 0.81057500 5.90324700 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=44) 0 -4.57628100 0.03599300 3.84131600 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=44) 0 -3.88352500 -0.03935900 3.09901500 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=44) 0 -5.93369200 -0.42275300 3.54584200 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=44) 0 -6.44646000 -0.58773500 4.49112700 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=44) 0 -6.67923400 0.68392900 2.76167000 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=44) 0 -5.98268300 1.48637000 2.51185700 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=44) 0 -7.06637300 0.28989400 1.82028600 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=44) 0 -7.83844300 1.27003500 3.58275300 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=44) 0 -7.49457600 1.45552200 4.59876900 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=44) 0 -8.32059500 2.59762000 3.00341500 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=44) 0 -7.47477500 3.27720200 2.90272300 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=44) 0 -8.79308100 2.44019400 2.03459500 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=44) 0 -9.03195400 3.05721100 3.68234300 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=44) 0 -9.02585700 0.30486400 3.60892300 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=44) 0 -8.71804900 -0.67016400 3.97658600 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=44) 0 -9.80559700 0.69146500 4.26088600 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=44) 0 -9.41735400 0.17724000 2.60068800 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=44) 0 -5.94558800 -1.76105100 2.80443900 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=44) 0 -5.30526200 -1.90032300 1.76492800 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=45) 0 -6.71544600 -2.72669400 3.31165600 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=45) 0 -7.19798700 -2.54230300 4.18553100 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=45) 0 -7.08819400 -3.93504200 2.56977600 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=45) 0 -6.42549800 -4.02989800 1.71256800 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=45) 0 -6.91868000 -5.18279300 3.45779500 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=45) 0 -6.15264900 -5.00210700 4.21013500 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=45) 0 -7.85916200 -5.35188100 3.97471700 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=45) 0 -6.55329500 -6.45867200 2.67704600 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=45) 0 -7.17818900 -6.53733500 1.78965900 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=45) 0 -5.08863900 -6.44666000 2.25098900 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=45) 0 -4.43419600 -6.43222000 3.11995700 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=45) 0 -4.87613700 -7.33574400 1.66542400 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=45) 0 -4.90009200 -5.57586200 1.63627300 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=45) 0 -6.75370800 -7.70131200 3.53975200 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=45) 0 -6.60237800 -8.59299200 2.93316400 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=45) 0 -6.04534400 -7.70139400 4.36685800 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=45) 0 -7.77284700 -7.72312800 3.92436400 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=45) 0 -8.51785500 -3.78232400 2.03143400 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=45) 0 -9.40442500 -3.31527000 2.74191300 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=46) 0 -8.77078200 -4.18453000 0.78966100 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=46) 0 -8.00784900 -4.60358900 0.26805200 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=46) 0 -9.99470000 -3.86810600 0.04053100 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=46) 0 -10.72298800 -3.42433000 0.71572600 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=46) 0 -9.71645900 -2.83006700 -1.06515100 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=46) 0 -9.12362700 -3.29219400 -1.85510600 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=46) 0 -11.03560800 -2.32219900 -1.66162200 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=46) 0 -11.62752900 -1.81377400 -0.90130100 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=46) 0 -10.83063800 -1.63901300 -2.48400100 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=46) 0 -11.61763300 -3.15507900 -2.05905400 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=46) 0 -8.93491000 -1.61203600 -0.54589300 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=46) 0 -7.96153900 -1.91752500 -0.16400000 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=46) 0 -8.76089100 -0.91602500 -1.36234200 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=46) 0 -9.48725200 -1.11355400 0.24821500 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=46) 0 -10.60459100 -5.13768200 -0.55033600 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=46) 0 -9.99425900 -5.78635700 -1.39494700 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=47) 0 -11.80340000 -5.46686300 -0.08194500 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=47) 0 -12.21566300 -4.83894300 0.59865000 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=47) 0 -12.71302100 -6.51198700 -0.55068700 L H-HC 1 0.0000 H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=47) 0 -12.14095800 -7.36863100 -0.90940500 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=47) 0 -13.57947700 -5.98245400 -1.70252100 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=47) 0 -14.11343400 -4.87644700 -1.63583000 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=48) 0 -13.76126900 -6.78876600 -2.74440900 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=48) 0 -13.25194600 -7.66625100 -2.74901900 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=48) 0 -14.60819700 -6.50562200 -3.90424100 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=48) 0 -15.23238900 -5.63723100 -3.70513500 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=48) 0 -13.73668400 -6.21723600 -5.13575800 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=48) 0 -13.20104700 -7.12668300 -5.38276100 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=48) 0 -14.39699500 -6.00010700 -5.97622900 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=48) 0 -12.70698300 -5.10454000 -5.02167800 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=48) 0 -12.97918600 -3.83729900 -5.56262000 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=48) 0 -13.95009700 -3.64570800 -5.98632800 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=48) 0 -11.99885100 -2.82815500 -5.55810600 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=48) 0 -12.21513300 -1.85918900 -5.98569600 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=48) 0 -10.73487500 -3.08425800 -5.00035800 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=48) 0 -9.97893600 -2.31106500 -4.99154100 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=48) 0 -10.46469700 -4.34356800 -4.43704700 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=48) 0 -9.50891800 -4.54185400 -3.98038000 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=48) 0 -11.44511100 -5.35006700 -4.44902300 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=48) 0 -11.22635400 -6.31142400 -4.00938900 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=48) 0 -15.50875800 -7.72341000 -4.14557600 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=48) 0 -15.00219900 -8.81037800 -4.44347900 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=49) 0 -16.82477700 -7.57105900 -3.97164500 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=49) 0 -17.19194600 -6.63799600 -3.80963400 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=49) 0 -17.69869500 -8.70437100 -3.63937900 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=49) 0 -17.19573400 -9.62750100 -3.92791500 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=49) 0 -17.87855300 -8.75397300 -2.11451400 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=49) 0 -18.27956800 -9.72903200 -1.86068700 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=49) 0 -16.90118100 -8.68334700 -1.63579000 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=49) 0 -18.80096800 -7.71003000 -1.51221300 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=49) 0 -20.11367400 -8.06881500 -1.14547500 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=49) 0 -20.46506200 -9.07617800 -1.31788000 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=49) 0 -20.96080300 -7.12115300 -0.54165700 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=49) 0 -21.96793900 -7.38407300 -0.26889700 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=49) 0 -20.49923800 -5.80813100 -0.31619800 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=49) 0 -21.29820000 -4.90755900 0.31064200 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=49) 0 -20.95233300 -4.00317000 0.18871200 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=49) 0 -19.20065200 -5.43720100 -0.71923500 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=49) 0 -18.85846000 -4.42718100 -0.56206500 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=49) 0 -18.34611300 -6.39493100 -1.29703300 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=49) 0 -17.33643600 -6.12325800 -1.57066900 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=49) 0 -19.05711900 -8.70847500 -4.35513900 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=49) 0 -19.57286700 -7.66032600 -4.74622500 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=50) 0 -19.64827100 -9.90198500 -4.49077100 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=50) 0 -19.16743900 -10.71278400 -4.11277500 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=50) 0 -20.99218700 -10.11957800 -5.03125500 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=50) 0 -21.36661500 -9.17136200 -5.41709200 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=50) 0 -20.90525600 -11.09183800 -6.21531300 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=50) 0 -20.28296700 -10.66204300 -7.00090300 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=50) 0 -20.46884600 -12.03882000 -5.89607000 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=50) 0 -21.90098000 -11.27478000 -6.62173800 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=50) 0 -21.94902300 -10.62093200 -3.92398000 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=50) 0 -21.62890100 -11.59055500 -3.22403300 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=51) 0 -23.14319200 -10.01975200 -3.75215000 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=51) 0 -23.79867300 -9.12257800 -4.69416700 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=51) 0 -23.68241800 -9.46116400 -5.72496300 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=51) 0 -23.40159600 -8.11193700 -4.57975700 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=51) 0 -25.27112000 -9.15090300 -4.29821200 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=51) 0 -25.75224500 -10.03338200 -4.71946200 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=51) 0 -25.79849400 -8.25313700 -4.61137300 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=51) 0 -25.18626100 -9.27717500 -2.77634300 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=51) 0 -26.10640300 -9.68665300 -2.35830200 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=51) 0 -24.97908500 -8.29710900 -2.34284200 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=51) 0 -23.97848200 -10.20042200 -2.55504500 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=51) 0 -23.43403800 -9.86986200 -1.66983900 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=51) 0 -24.41792600 -11.65492700 -2.33371200 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=51) 0 -24.43937100 -12.16192100 -1.21162500 L N-N--0.415700(PDBName=N,ResName=TRP,ResNum=52) 0 -24.72514000 -12.37681400 -3.40849700 L H-H-0.271900(PDBName=H,ResName=TRP,ResNum=52) 0 -24.71742500 -11.91689100 -4.31095900 L C-CT--0.005000(PDBName=CB,ResName=TRP,ResNum=52) 0 -26.13617300 -13.96960500 -4.57145800 L H-HC-0.033900(PDBName=HB2,ResName=TRP,ResNum=52) 0 -26.36041700 -15.03086700 -4.68925300 L H-HC-0.033900(PDBName=HB3,ResName=TRP,ResNum=52) 0 -27.08044400 -13.46410700 -4.36142500 L C-C*--0.141500(PDBName=CG,ResName=TRP,ResNum=52) 0 -25.59803300 -13.43653200 -5.86227600 L C-CW--0.163800(PDBName=CD1,ResName=TRP,ResNum=52) 0 -26.03118400 -12.32396900 -6.49781300 L H-H4-0.206200(PDBName=HD1,ResName=TRP,ResNum=52) 0 -26.86985700 -11.70726300 -6.19214200 L N-NA--0.341800(PDBName=NE1,ResName=TRP,ResNum=52) 0 -25.25204900 -12.09561900 -7.61264400 L H-H-0.341200(PDBName=HE1,ResName=TRP,ResNum=52) 0 -25.44310200 -11.36152900 -8.29195500 L C-CN-0.138000(PDBName=CE2,ResName=TRP,ResNum=52) 0 -24.29847100 -13.07171200 -7.77346400 L C-CA--0.260100(PDBName=CZ2,ResName=TRP,ResNum=52) 0 -23.32624100 -13.30058500 -8.75151600 L H-HA-0.157200(PDBName=HZ2,ResName=TRP,ResNum=52) 0 -23.22598100 -12.63434300 -9.59713200 L C-CA--0.113400(PDBName=CH2,ResName=TRP,ResNum=52) 0 -22.54929000 -14.46284200 -8.67111200 L H-HA-0.141700(PDBName=HH2,ResName=TRP,ResNum=52) 0 -21.85956600 -14.68949800 -9.46975500 L C-CA--0.197200(PDBName=CZ3,ResName=TRP,ResNum=52) 0 -22.71289200 -15.34980600 -7.59221900 L H-HA-0.144700(PDBName=HZ3,ResName=TRP,ResNum=52) 0 -22.11355000 -16.24523500 -7.53287600 L C-CA--0.238700(PDBName=CE3,ResName=TRP,ResNum=52) 0 -23.69147800 -15.10856700 -6.61490800 L H-HA-0.170000(PDBName=HE3,ResName=TRP,ResNum=52) 0 -23.86018300 -15.84285100 -5.84755200 L C-CB-0.124300(PDBName=CD2,ResName=TRP,ResNum=52) 0 -24.51019200 -13.96200700 -6.68020700 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=57) 0 -20.22274700 -14.64125000 2.22993400 L H-H 153 0.0000 H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=57) 0 -20.45468300 -13.65970300 2.64648300 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=57) 0 -21.52919100 -15.41463800 2.03125700 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=57) 0 -21.28971100 -16.32827700 1.48691100 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=57) 0 -21.91360300 -15.71019900 3.00651100 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=57) 0 -22.66015600 -14.65314500 1.31443500 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=57) 0 -23.10842200 -13.92513800 1.99185100 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=57) 0 -22.29588900 -14.13274600 0.43118300 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=57) 0 -23.69079700 -15.71517300 0.92169800 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=57) 0 -23.18569200 -16.48752700 0.34245700 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=57) 0 -24.07521600 -16.15657500 1.84126300 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=57) 0 -24.87782600 -15.23843600 0.09430800 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=57) 0 -25.54073400 -14.64270200 0.72958900 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=57) 0 -24.52601100 -14.59923600 -0.71793800 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=57) 0 -25.60550800 -16.41453700 -0.44826000 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=57) 0 -25.11599200 -16.84387900 -1.23245700 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=57) 0 -25.68860000 -17.14649600 0.25443300 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=57) 0 -26.53204500 -16.14415000 -0.77061300 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=57) 0 -19.34603700 -15.37021100 3.27185100 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=57) 0 -19.69392800 -15.35743200 4.46047500 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=58) 0 -18.22424700 -15.98418500 2.86522400 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=58) 0 -18.01088700 -16.01795900 1.87382400 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=58) 0 -17.20214700 -16.48597300 3.78500300 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=58) 0 -17.68826000 -16.90491500 4.66424000 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=58) 0 -16.42777000 -17.63132400 3.11960100 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=58) 0 -17.12187100 -18.38751700 2.75140400 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=58) 0 -15.82721500 -17.26078600 2.29077800 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=58) 0 -15.76237400 -18.09224700 3.85125300 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=58) 0 -16.27680700 -15.34999200 4.26049000 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=58) 0 -15.96861700 -15.28083600 5.44992900 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=59) 0 -15.90417400 -14.43562500 3.35383000 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=59) 0 -16.20970100 -14.56702400 2.39618800 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=59) 0 -15.02153400 -13.29628700 3.62958400 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=59) 0 -14.17009600 -13.65727500 4.20945700 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=59) 0 -14.51301500 -12.74098700 2.28533900 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=59) 0 -15.36986900 -12.36585700 1.72831000 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=59) 0 -14.07962600 -13.54836800 1.69975400 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=59) 0 -13.48215500 -11.60007400 2.40836900 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=59) 0 -13.88590700 -10.79268000 3.01734800 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=59) 0 -12.16167100 -12.07979500 3.01498800 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=59) 0 -11.76154500 -12.90654800 2.43476100 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=59) 0 -12.31346800 -12.39093900 4.04916600 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=59) 0 -11.43786300 -11.26641400 3.00619400 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=59) 0 -13.17347500 -11.04997200 1.02027300 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=59) 0 -12.70074200 -11.81247600 0.40614200 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=59) 0 -14.10117800 -10.72886500 0.54792700 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=59) 0 -12.52020500 -10.18252500 1.11255500 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=59) 0 -15.69004400 -12.18165700 4.45081900 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=59) 0 -15.11185200 -11.72616700 5.43012900 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=60) 0 -16.89267300 -11.73328700 4.08341000 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=60) 0 -17.30210000 -12.12509400 3.24550400 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=60) 0 -17.44157900 -10.46427100 4.57875100 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=60) 0 -16.73726600 -9.68495600 4.28200600 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=60) 0 -18.75421400 -10.16054400 3.84173500 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=60) 0 -19.13227000 -9.18963800 4.16440200 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=60) 0 -18.56296000 -10.11164100 2.76838200 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=60) 0 -19.50558500 -10.92179200 4.03801600 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=60) 0 -17.56773200 -10.35106600 6.12178300 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=60) 0 -17.17446100 -9.30929100 6.65972700 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=61) 0 -18.01536700 -11.38847700 6.87021700 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=61) 0 -18.65048100 -12.61366100 6.40747600 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=61) 0 -17.89871700 -13.39897600 6.31144000 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=61) 0 -19.17785300 -12.48454900 5.46537200 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=61) 0 -19.64095900 -12.97542700 7.50770500 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=61) 0 -19.88598700 -14.03754400 7.50117800 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=61) 0 -20.54113500 -12.36643000 7.40874400 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=61) 0 -18.88001600 -12.57333300 8.76908300 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=61) 0 -18.21916700 -13.39196300 9.06168800 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=61) 0 -19.56014400 -12.32828100 9.58590600 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=61) 0 -18.05514300 -11.35084700 8.34041500 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=61) 0 -18.57342400 -10.44425000 8.65598200 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=61) 0 -16.66339600 -11.38777300 8.99424000 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=61) 0 -16.48890800 -10.92700400 10.12545300 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=62) 0 -15.66676700 -11.91695700 8.28142500 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=62) 0 -15.86165600 -12.23072700 7.33842200 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=62) 0 -14.26482900 -11.96450000 8.70347800 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=62) 0 -14.22726800 -12.08635300 9.78125400 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=62) 0 -13.56553200 -13.16852800 8.05901800 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=62) 0 -13.73563500 -13.17092000 6.98401300 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=62) 0 -12.49250900 -13.08165500 8.22647200 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=62) 0 -14.06360800 -14.49618200 8.64828700 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=62) 0 -15.14119300 -14.58157000 8.49248300 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=62) 0 -13.58673000 -15.31844200 8.11161600 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=62) 0 -13.74659800 -14.62194800 10.14330400 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=62) 0 -14.37964400 -15.44705200 10.84163200 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=62) 0 -12.84113300 -13.92399700 10.64650500 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=62) 0 -13.52873500 -10.66035200 8.39480200 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=62) 0 -12.74581700 -10.18941500 9.21566700 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=63) 0 -13.88051300 -9.99466100 7.29417000 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=63) 0 -14.47773600 -10.46956700 6.62508300 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=63) 0 -13.54485800 -8.59378600 7.04657400 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=63) 0 -12.45918500 -8.49291300 7.06856600 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=63) 0 -14.05667500 -8.18574200 5.65348400 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=63) 0 -14.59965800 -9.00717500 5.18450700 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=63) 0 -14.75684600 -7.35487700 5.74901200 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=63) 0 -12.93105300 -7.78433800 4.73069100 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=63) 0 -11.94349300 -8.72600700 4.38750300 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=63) 0 -12.03099300 -9.74090900 4.74664100 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=63) 0 -10.85376900 -8.34582600 3.58320100 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=63) 0 -10.09074900 -9.05794000 3.30887100 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=63) 0 -10.76782100 -7.01879800 3.12067800 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=63) 0 -9.74269500 -6.63409300 2.33130700 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=63) 0 -9.88173900 -5.73931400 2.01537400 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=63) 0 -11.75455200 -6.07770800 3.46288100 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=63) 0 -11.67934400 -5.06894600 3.10143700 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=63) 0 -12.84617400 -6.46544600 4.25563200 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=63) 0 -13.62999600 -5.75930700 4.48326200 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=63) 0 -14.09954700 -7.68552800 8.15265300 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=63) 0 -13.38716500 -6.81598000 8.65562300 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=64) 0 -15.32558100 -7.94797000 8.61781400 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=64) 0 -15.89413100 -8.62125500 8.11625400 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=64) 0 -15.89495700 -7.28259100 9.78563400 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=64) 0 -15.78991500 -6.20571000 9.64534000 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=64) 0 -17.39544100 -7.58760600 9.83855700 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=64) 0 -17.57211600 -8.65893800 9.87223900 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=64) 0 -17.83375400 -7.13546800 10.72592600 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=64) 0 -17.88366200 -7.17868500 8.95311500 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=64) 0 -15.14797400 -7.62889300 11.09410000 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=64) 0 -14.83794100 -6.70938200 11.85847800 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=65) 0 -14.77206700 -8.89709800 11.34607600 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=65) 0 -15.07904200 -9.62498300 10.70788700 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=65) 0 -13.93073000 -9.26923000 12.50870200 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=65) 0 -14.41487300 -8.92298800 13.42346700 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=65) 0 -13.70973900 -10.79252400 12.61221700 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=65) 0 -13.69531700 -11.22367500 11.61519100 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=65) 0 -12.73217400 -10.95128200 13.06638600 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=65) 0 -14.70094800 -11.56442100 13.49333400 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=65) 0 -14.55953200 -11.26275300 14.53209700 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=65) 0 -15.71668600 -11.31445000 13.19489700 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=65) 0 -14.53399200 -13.09301600 13.38055000 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=65) 0 -15.18553600 -13.56877000 14.11382600 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=65) 0 -14.88740700 -13.38327200 12.39106600 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=65) 0 -13.09654900 -13.62215500 13.56678700 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=65) 0 -12.44335500 -13.08725900 12.87231700 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=65) 0 -12.75819000 -13.43477900 14.58868100 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=65) 0 -13.01305400 -15.06829400 13.24382700 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=65) 0 -13.40074200 -15.21363500 12.30663000 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=65) 0 -12.06080000 -15.41193900 13.19777600 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=65) 0 -13.53891500 -15.62950000 13.90471500 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=65) 0 -12.56862700 -8.57356300 12.45397900 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=65) 0 -12.11259200 -8.08994600 13.48550900 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=66) 0 -11.94284500 -8.48303200 11.27924600 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=66) 0 -12.35636600 -8.96401100 10.48678300 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=66) 0 -10.66434000 -7.80720000 11.06648800 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=66) 0 -9.94053600 -8.18798900 11.78741800 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=66) 0 -10.15186600 -8.14531900 9.66266100 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=66) 0 -9.19229800 -7.65522600 9.49647800 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=66) 0 -10.01918700 -9.22058800 9.56388900 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=66) 0 -10.86314400 -7.81051000 8.90793000 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=66) 0 -10.77266400 -6.28880400 11.27126600 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=66) 0 -9.91043600 -5.70110200 11.92166900 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=67) 0 -11.84451400 -5.65541300 10.78393200 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=67) 0 -12.48702000 -6.17223500 10.19029700 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=67) 0 -12.10252100 -4.23322900 11.00033100 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=67) 0 -11.22570500 -3.66757500 10.69783900 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=67) 0 -13.28415300 -3.80243100 10.12978000 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=67) 0 -13.44958500 -2.73369700 10.25222500 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=67) 0 -13.06352000 -4.00799300 9.08548700 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=67) 0 -14.18842900 -4.34073500 10.41585900 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=67) 0 -12.34139900 -3.90341700 12.47650100 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=67) 0 -11.75894300 -2.94303100 12.98641000 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=68) 0 -13.13326600 -4.73004200 13.16719100 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=68) 0 -13.57484800 -5.49234000 12.66399600 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=68) 0 -13.37001300 -4.62645200 14.60630200 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=68) 0 -13.76911900 -3.63926900 14.84033500 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=68) 0 -14.10092500 -5.37943700 14.90195900 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=68) 0 -12.08989400 -4.84886200 15.41266100 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=68) 0 -11.77993800 -4.03199800 16.27861400 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=69) 0 -11.31242000 -5.88520000 15.06013800 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=69) 0 -11.66934300 -6.51219300 14.34624900 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=69) 0 -9.99570500 -6.20849700 15.62968100 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=69) 0 -10.10686600 -6.37785600 16.70264500 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=69) 0 -9.43642300 -7.49502400 14.99420900 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=69) 0 -10.01789400 -8.33778700 15.35996300 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=69) 0 -9.55266900 -7.44604000 13.91299900 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=69) 0 -7.94736600 -7.74030700 15.29241000 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=69) 0 -7.34733200 -7.04253300 14.70701400 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=69) 0 -7.75000200 -7.55920700 16.35010000 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=69) 0 -7.52508800 -9.16606000 14.91248500 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=69) 0 -8.19247300 -9.56416200 14.14622200 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=69) 0 -6.51628200 -9.14766200 14.49871900 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=69) 0 -7.54735900 -10.08181200 16.13693100 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=69) 0 -8.41473400 -9.83948900 16.75707800 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=69) 0 -7.64403200 -11.11567200 15.79452000 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=69) 0 -6.29354200 -9.94963400 16.91305800 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=69) 0 -5.52622100 -10.29907400 16.34589700 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=69) 0 -6.05750000 -8.97485300 17.11534200 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=69) 0 -6.31979900 -10.49875500 17.76652500 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=69) 0 -9.02203900 -5.05401600 15.48827300 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=69) 0 -8.59801200 -4.51847000 16.49935900 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=70) 0 -8.68735100 -4.63079300 14.26957900 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=70) 0 -9.09313100 -5.09264100 13.46302900 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=70) 0 -7.67614000 -3.59107100 14.06418500 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=70) 0 -6.76998300 -3.89793400 14.58359600 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=70) 0 -7.36465400 -3.46045200 12.56128400 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=70) 0 -8.29727900 -3.49373100 11.99580700 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=70) 0 -6.90456200 -2.49152700 12.37183100 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=70) 0 -6.40550100 -4.55484600 12.05071900 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=70) 0 -6.77100000 -5.53499600 12.35569200 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=70) 0 -6.32953900 -4.51537100 10.52520700 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=70) 0 -6.21107000 -3.48991700 10.18144100 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=70) 0 -5.49881800 -5.11948400 10.16418300 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=70) 0 -7.24794500 -4.92611400 10.12165600 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=70) 0 -4.98183100 -4.37047400 12.57923100 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=70) 0 -4.62440200 -3.37510700 12.32839100 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=70) 0 -4.95713300 -4.49488700 13.65965100 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=70) 0 -4.32073000 -5.11720700 12.14351500 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=70) 0 -8.09173300 -2.26420000 14.71525500 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=70) 0 -7.24992600 -1.57974700 15.29566400 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=71) 0 -9.39180700 -1.94545100 14.73803800 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=71) 0 -10.04571600 -2.55112700 14.25560700 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=71) 0 -9.90604800 -0.75659000 15.42754400 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=71) 0 -9.26624400 0.08396900 15.15355400 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=71) 0 -11.31171600 -0.46543000 14.89044300 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=71) 0 -11.23853100 -0.39849700 13.80405100 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=71) 0 -11.97644000 -1.29509100 15.13732900 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=71) 0 -11.92927800 0.84107700 15.40472700 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=71) 0 -12.28664900 0.69210200 16.42214100 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=71) 0 -11.18202300 1.63236000 15.39934800 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=71) 0 -13.09407600 1.23915500 14.48725900 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=71) 0 -12.70078700 1.68774600 13.57314200 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=71) 0 -13.63453700 0.33465000 14.21137800 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=71) 0 -14.10807400 2.18586100 15.13199700 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=71) 0 -14.91055400 2.36826600 14.41421300 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=71) 0 -14.55670000 1.68760400 15.99648500 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=71) 0 -13.53696500 3.48378500 15.55549900 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=71) 0 -13.06479900 3.97902200 14.80539300 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=71) 0 -14.30444200 4.06394000 15.89401700 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=71) 0 -12.91732800 3.35298900 16.35005600 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=71) 0 -9.81621300 -0.88329000 16.95413200 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=71) 0 -9.46698400 0.10467600 17.59994500 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=72) 0 -10.02271000 -2.07119200 17.52613600 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=72) 0 -10.32448400 -2.84040300 16.93902400 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=72) 0 -9.83097500 -2.35408400 18.95303700 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=72) 0 -10.27565900 -1.54373900 19.53131200 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=72) 0 -10.59211400 -3.63935900 19.29385100 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=72) 0 -10.16275800 -4.48690900 18.75750700 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=72) 0 -10.53185700 -3.82897600 20.36459400 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=72) 0 -11.64177100 -3.53547000 19.01898800 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=72) 0 -8.34142600 -2.43751600 19.35340200 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=72) 0 -7.95387900 -1.92486200 20.40464500 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=73) 0 -7.47588100 -2.95822700 18.48105500 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=73) 0 -7.86762900 -3.42934100 17.67104100 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=73) 0 -6.00599600 -2.91992600 18.57544000 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=73) 0 -5.71127000 -3.28386700 19.55745800 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=73) 0 -5.38299100 -3.86546800 17.52466500 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=73) 0 -5.76639400 -3.59932700 16.54101300 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=73) 0 -4.30380500 -3.71032000 17.51570300 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=73) 0 -5.63909500 -5.36378700 17.79396800 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=73) 0 -5.24898700 -5.60705500 18.78192100 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=73) 0 -6.71029200 -5.55895100 17.81499900 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=73) 0 -4.98065800 -6.29953300 16.76236000 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=73) 0 -4.38584600 -5.81680300 15.77227100 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=73) 0 -5.02959100 -7.54162000 16.95134200 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=73) 0 -5.43156700 -1.48838900 18.43902300 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=73) 0 -4.21625900 -1.28897400 18.53102300 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=74) 0 -6.28817000 -0.47850700 18.23559800 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=74) 0 -7.26801200 -0.71052500 18.15776100 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=74) 0 -5.91429400 0.93313000 18.11596900 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=74) 0 -6.80842700 1.54403900 18.23626000 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=74) 0 -5.21364400 1.18646700 18.91194900 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=74) 0 -5.26650300 1.29197200 16.77568200 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=74) 0 -4.72497900 2.38878000 16.63421300 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=75) 0 -5.31281700 0.39238000 15.79445400 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=75) 0 -5.86765400 -0.44436000 15.94270800 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=75) 0 -4.56153300 0.47371500 14.54487100 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=75) 0 -3.53100100 0.73387400 14.78654200 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=75) 0 -4.55224200 -0.88967000 13.85830600 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=75) 0 -4.28481400 -1.67129400 14.57090500 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=75) 0 -5.54242400 -1.09706000 13.45615300 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=75) 0 -3.62018000 -0.87021000 12.80271700 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=75) 0 -2.79583400 -1.28912400 13.13615200 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=75) 0 -5.10331800 1.50935300 13.56378600 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=75) 0 -6.31472100 1.65349600 13.36745400 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=76) 0 -4.18119700 2.17818200 12.88093100 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=76) 0 -3.20801100 2.01524300 13.13376200 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=76) 0 -4.41949300 3.02298500 11.71261000 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=76) 0 -5.28547700 3.65129800 11.92466900 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=76) 0 -3.20738700 3.95705600 11.51690200 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=76) 0 -3.50976600 4.74604600 10.83001000 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=76) 0 -2.97486400 4.44149800 12.46653500 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=76) 0 -1.92163300 3.32115800 10.94641800 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=76) 0 -2.14518200 2.92218900 9.95514900 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=76) 0 -1.18694300 4.11736300 10.81013300 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=76) 0 -1.28814500 2.21990800 11.81552800 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=76) 0 -1.40784900 2.27471300 13.06422100 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=76) 0 -0.69362900 1.28580800 11.23683700 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=76) 0 -4.74856600 2.22699200 10.43236900 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=76) 0 -5.27376400 2.80820600 9.47986300 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=77) 0 -4.47560400 0.91551800 10.40773400 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=77) 0 -4.06995600 0.49850700 11.24094300 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=77) 0 -4.79992800 0.00916200 9.29533700 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=77) 0 -4.46437600 0.46624100 8.36658900 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=77) 0 -4.11131100 -1.36697000 9.47107300 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=77) 0 -4.59464100 -1.86080000 10.31423100 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=77) 0 -4.33001200 -2.23016200 8.21252600 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=77) 0 -5.39040900 -2.43140900 8.05925100 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=77) 0 -3.93532500 -1.72616600 7.33117000 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=77) 0 -3.82776200 -3.18677400 8.32764400 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=77) 0 -2.60071000 -1.30337400 9.78920000 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=77) 0 -2.03640700 -1.08260000 8.88617300 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=77) 0 -2.39997300 -0.51061400 10.50390300 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=77) 0 -2.08582900 -2.60713700 10.41691800 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=77) 0 -2.06557400 -3.41092900 9.68332900 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=77) 0 -1.08263300 -2.44927000 10.80528700 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=77) 0 -2.71639000 -2.90357400 11.25071000 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=77) 0 -6.31663200 -0.20144300 9.23089300 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=77) 0 -6.92980400 -0.50716000 10.25680400 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=78) 0 -6.92425600 -0.09746500 8.04127400 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=78) 0 -6.34781400 0.14046800 7.23707400 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=78) 0 -8.36765800 -0.32794100 7.82382200 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=78) 0 -8.80557600 -0.70677400 8.74874400 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=78) 0 -9.07624100 0.99693600 7.46670500 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=78) 0 -8.67032800 1.37263900 6.52912300 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=78) 0 -10.13795000 0.80341400 7.30866900 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=78) 0 -8.94974300 2.11234300 8.51807500 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=78) 0 -7.90578500 2.41646200 8.59111000 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=78) 0 -9.52811800 2.96845400 8.17560700 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=78) 0 -9.43755300 1.72377600 9.91812400 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=78) 0 -8.91640700 0.82951100 10.23436800 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=78) 0 -9.16516800 2.50553100 10.62338200 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=78) 0 -10.88705800 1.46432500 9.97084400 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=78) 0 -11.16039800 0.49035300 10.05110800 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=78) 0 -11.83776500 2.36505400 10.11277800 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=78) 0 -11.56844700 3.61954100 10.30325900 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=78) 0 -10.61230300 3.90746900 10.49830100 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=78) 0 -12.31528200 4.25600300 10.51806400 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=78) 0 -13.09066000 2.02245200 10.07112800 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=78) 0 -13.34096600 1.07743700 9.79838200 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=78) 0 -13.81556800 2.73875800 10.07044600 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=78) 0 -8.65723600 -1.41973300 6.79032100 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=78) 0 -7.78056200 -1.86346500 6.04959100 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=79) 0 -9.92263200 -1.83058500 6.75370300 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=79) 0 -10.56978100 -1.39013300 7.38859000 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=79) 0 -10.50523100 -2.78449500 5.81037600 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=79) 0 -9.75871400 -3.10178000 5.08593600 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=79) 0 -11.05413100 -4.01940700 6.55306400 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=79) 0 -11.83382500 -3.68706600 7.23659800 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=79) 0 -11.54446600 -4.65255100 5.81748700 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=79) 0 -10.08478300 -4.91802900 7.33994600 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=79) 0 -10.66773600 -5.75849900 7.71419000 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=79) 0 -8.96048100 -5.47137300 6.47363800 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=79) 0 -9.38478100 -6.06120000 5.66059800 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=79) 0 -8.36319000 -4.65418600 6.07238300 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=79) 0 -8.31585600 -6.10498300 7.07854500 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=79) 0 -9.44951600 -4.22988100 8.54621700 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=79) 0 -8.51267300 -3.74593000 8.27315500 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=79) 0 -10.12633900 -3.48326600 8.94981000 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=79) 0 -9.25306300 -4.98013300 9.30652900 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=79) 0 -11.65738100 -2.08499100 5.08257800 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=79) 0 -12.42640800 -1.38688900 5.73692800 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=80) 0 -11.81228200 -2.27582700 3.77518700 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=80) 0 -11.11946100 -2.84095800 3.29561700 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=80) 0 -12.86272500 -1.66613000 2.95368500 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=80) 0 -13.59871000 -1.19408900 3.59776900 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=80) 0 -12.22150700 -0.59098200 2.07664200 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=80) 0 -11.79513100 0.19195800 2.70034800 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=80) 0 -11.43733200 -1.03570300 1.46614000 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=80) 0 -12.97846000 -0.16440000 1.42177400 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=80) 0 -13.60174600 -2.69420500 2.08593500 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=80) 0 -12.98272600 -3.65789600 1.65767000 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=81) 0 -14.88301200 -2.46424100 1.77487300 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=81) 0 -15.29529600 -1.60446000 2.11968600 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=81) 0 -15.72749700 -3.32266000 0.93093000 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=81) 0 -15.08777200 -4.09540600 0.50027400 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=81) 0 -16.76952900 -4.07416000 1.78312200 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=81) 0 -17.23964100 -4.83577500 1.16195900 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=81) 0 -16.24198300 -4.59461200 2.57897700 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=81) 0 -17.86266100 -3.19641600 2.41689600 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=81) 0 -17.40137100 -2.46554500 3.08180000 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=81) 0 -18.39696100 -2.66302800 1.63174100 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=81) 0 -16.33975100 -2.55673700 -0.24655900 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=81) 0 -16.87319200 -1.45177600 -0.09010100 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=82) 0 -16.27572000 -3.16037500 -1.42929400 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=82) 0 -15.73279100 -4.01888000 -1.46858400 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=82) 0 -16.69794900 -2.59233900 -2.71547400 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=82) 0 -17.12057000 -1.60605200 -2.55841300 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=82) 0 -15.49825800 -2.39999000 -3.65641200 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=82) 0 -15.03950700 -3.36484300 -3.85702000 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=82) 0 -15.95757900 -1.78672100 -4.98664500 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=82) 0 -16.50545600 -0.86387000 -4.80261300 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=82) 0 -15.09415200 -1.58782100 -5.61693500 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=82) 0 -16.60857500 -2.48247100 -5.51546900 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=82) 0 -14.44579900 -1.48204100 -3.01983300 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=82) 0 -14.90916800 -0.55471400 -2.68684700 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=82) 0 -13.99361900 -1.98381800 -2.16432500 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=82) 0 -13.65418200 -1.26563900 -3.73597200 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=82) 0 -17.76148100 -3.47593700 -3.35788400 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=82) 0 -17.48398600 -4.60746700 -3.75672600 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=83) 0 -18.97593000 -2.94377800 -3.47910300 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=83) 0 -19.14170300 -2.01440600 -3.11236800 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=83) 0 -20.10732600 -3.66724400 -4.05816300 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=83) 0 -20.12583000 -4.67215900 -3.62854000 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=83) 0 -21.41197300 -2.96780000 -3.65408500 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=83) 0 -21.37813500 -2.71806000 -2.59778900 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=83) 0 -21.53038800 -2.03941900 -4.21537500 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=83) 0 -22.61080200 -3.87363700 -3.89733200 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=83) 0 -22.76776100 -4.32327600 -5.05062800 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=83) 0 -23.38510200 -4.12904800 -2.94559200 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=83) 0 -19.96826400 -3.80042000 -5.58753000 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=83) 0 -20.04969000 -2.81386600 -6.33179000 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=84) 0 -19.76381800 -5.02652500 -6.07481900 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=84) 0 -19.71389400 -5.81288100 -5.43207300 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=84) 0 -19.54080900 -5.28926500 -7.49376000 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=84) 0 -18.87295000 -4.51330200 -7.86975600 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=84) 0 -18.80868500 -6.62756000 -7.64653900 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=84) 0 -18.48637000 -6.74739200 -8.68073200 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=84) 0 -17.93106000 -6.64977700 -6.99872500 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=84) 0 -19.47529100 -7.44974500 -7.38274700 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=84) 0 -20.81824900 -5.21989100 -8.35569000 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=84) 0 -20.70956800 -5.32234200 -9.58143600 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=85) 0 -22.00776500 -5.03530100 -7.77043800 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=85) 0 -22.05750400 -4.97612900 -6.75321300 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=85) 0 -23.27864300 -4.88968600 -8.50639000 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=85) 0 -23.09991200 -5.02805500 -9.57230600 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=85) 0 -24.30187300 -5.96825100 -8.10354700 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=85) 0 -25.17767300 -5.87102600 -8.74438700 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=85) 0 -23.75911900 -7.39222700 -8.23086900 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=85) 0 -22.91580100 -7.54477900 -7.55814000 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=85) 0 -24.54712600 -8.10106800 -7.97660300 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=85) 0 -23.44868200 -7.57252300 -9.25833200 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=85) 0 -24.71470800 -5.81639000 -6.77071100 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=85) 0 -25.43043000 -5.14422600 -6.78778400 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=85) 0 -23.87890800 -3.48777900 -8.36192000 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=85) 0 -24.48052300 -2.98591800 -9.31228600 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=86) 0 -23.69844500 -2.80621100 -7.22435100 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=86) 0 -23.27985100 -3.31183400 -6.44175700 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=86) 0 -24.26750800 -1.46858000 -6.97450600 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=86) 0 -25.06532400 -1.28853200 -7.69432800 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=86) 0 -24.91134500 -1.37392900 -5.57973900 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=86) 0 -24.12836000 -1.36643900 -4.82015300 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=86) 0 -25.43664400 -0.41962200 -5.52119300 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=86) 0 -25.91210900 -2.48883200 -5.23792500 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=86) 0 -25.35280900 -3.34610100 -4.87047900 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=86) 0 -26.56017800 -2.14299500 -4.43006800 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=86) 0 -26.76694600 -2.93012500 -6.42851000 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=86) 0 -27.46197600 -2.08957100 -7.04866600 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=86) 0 -26.71200300 -4.11966500 -6.81446900 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=86) 0 -23.28106000 -0.31380100 -7.18439100 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=86) 0 -23.68937100 0.73244700 -7.69207200 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=87) 0 -21.99430300 -0.47574800 -6.85600800 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=87) 0 -21.70020500 -1.35859000 -6.45050600 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=87) 0 -20.95951000 0.50733600 -7.21754000 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=87) 0 -21.41472100 1.49104200 -7.33667400 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=87) 0 -19.87461700 0.62165500 -6.13064500 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=87) 0 -19.47641800 -0.36355000 -5.89445700 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=87) 0 -19.05071500 1.22266900 -6.51961100 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=87) 0 -20.38420900 1.27604000 -4.84143700 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=87) 0 -21.17402900 0.65812700 -4.40884000 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=87) 0 -19.56377300 1.31858300 -4.12415300 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=87) 0 -20.90267500 2.69399100 -5.09726800 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=87) 0 -22.09188700 2.96383300 -4.81530700 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=87) 0 -20.13363200 3.54899800 -5.59620500 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=87) 0 -20.34234100 0.17534200 -8.57540700 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=87) 0 -20.28724600 1.05054200 -9.44217300 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=88) 0 -19.94137100 -1.08922400 -8.77144100 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=88) 0 -20.05126500 -1.71712300 -7.97800000 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=88) 0 -19.36315300 -1.67383400 -9.99614700 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=88) 0 -19.10448400 -2.70601900 -9.76136600 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=88) 0 -20.43409700 -1.73450900 -11.09268200 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=88) 0 -21.31078900 -2.26676200 -10.71899000 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=88) 0 -20.73157300 -0.72300000 -11.37239800 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=88) 0 -19.93537800 -2.40132300 -12.23310300 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=88) 0 -20.55538500 -2.20157300 -12.97026100 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=88) 0 -18.06518900 -1.01500000 -10.49620200 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=88) 0 -17.00942900 -1.64686700 -10.50973900 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=89) 0 -18.10199300 0.27134700 -10.84264500 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=89) 0 -18.98988800 0.74366200 -10.71826800 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=89) 0 -17.00880400 1.01340900 -11.47925100 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=89) 0 -16.69842200 0.47086900 -12.37195100 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=89) 0 -17.49850300 2.40633700 -11.88352300 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=89) 0 -17.82697500 2.94318600 -10.99349600 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=89) 0 -16.66794900 2.95719200 -12.32363400 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=89) 0 -18.62171400 2.36379300 -12.90570400 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=89) 0 -18.49295300 1.63689900 -13.91168800 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=89) 0 -19.61511100 3.10867200 -12.73220200 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=89) 0 -15.77375300 1.18469500 -10.59463600 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=89) 0 -14.67817400 1.40257800 -11.11221500 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=90) 0 -15.92882100 1.07538300 -9.27259100 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=90) 0 -16.86183800 0.92668000 -8.91946200 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=90) 0 -14.79987200 1.02306500 -8.34702900 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=90) 0 -14.07981100 1.77984300 -8.64955100 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=90) 0 -15.29270000 1.36917600 -6.93021100 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=90) 0 -15.71147300 2.37559900 -6.94081000 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=90) 0 -16.08352800 0.67459900 -6.64675500 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=90) 0 -14.17411800 1.30788700 -5.87455600 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=90) 0 -13.79633600 0.28954800 -5.80620700 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=90) 0 -13.01283500 2.23176300 -6.21736500 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=90) 0 -13.35274500 3.26465200 -6.29646500 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=90) 0 -12.26310900 2.13926400 -5.43920400 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=90) 0 -12.54574700 1.93551200 -7.15386100 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=90) 0 -14.69252200 1.71253000 -4.49788700 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=90) 0 -13.93769700 1.48247900 -3.74831000 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=90) 0 -14.89633600 2.77788800 -4.47422500 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=90) 0 -15.60504700 1.16925900 -4.26218600 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=90) 0 -14.07316500 -0.32943300 -8.41947500 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=90) 0 -12.84663400 -0.37591800 -8.40103400 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=91) 0 -14.81484900 -1.42750500 -8.56826400 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=91) 0 -15.81046800 -1.32881500 -8.70409000 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=91) 0 -14.23855800 -2.75920100 -8.71255300 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=91) 0 -13.46497500 -2.88588000 -7.95862500 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=91) 0 -15.35266600 -3.78535600 -8.45890300 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=91) 0 -14.91276900 -4.75923600 -8.26506200 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=91) 0 -15.93418600 -3.50480200 -7.58095300 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=91) 0 -16.01749500 -3.85213300 -9.32110600 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=91) 0 -13.54360000 -2.91027100 -10.07547900 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=91) 0 -12.37520000 -3.29254300 -10.14557400 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=92) 0 -14.20544700 -2.46838300 -11.14894200 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=92) 0 -15.16539800 -2.16211500 -11.02179600 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=92) 0 -13.64741000 -2.46351400 -12.50621100 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=92) 0 -13.19843000 -3.44120600 -12.68022000 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=92) 0 -14.78367000 -2.27558200 -13.53114700 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=92) 0 -15.26005100 -1.31103600 -13.35493200 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=92) 0 -14.35519800 -2.26160800 -14.53428900 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=92) 0 -15.86428600 -3.37543300 -13.48454900 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=92) 0 -16.38724100 -3.34410900 -12.52926400 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=92) 0 -16.59753000 -3.17831100 -14.26648900 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=92) 0 -15.28996000 -4.77544500 -13.68173100 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=92) 0 -14.92201600 -5.46339300 -12.73828800 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=92) 0 -15.12822600 -5.24717800 -14.89673300 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=92) 0 -14.68054700 -6.15571300 -14.99863600 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=92) 0 -15.44218200 -4.72298300 -15.69300300 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=92) 0 -12.49398900 -1.45510500 -12.71104400 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=92) 0 -11.88705800 -1.43472700 -13.78420400 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=93) 0 -12.13622100 -0.65552200 -11.69532600 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=93) 0 -12.67635200 -0.69461300 -10.84218000 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=93) 0 -10.92506400 0.17923200 -11.68971100 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=93) 0 -10.69782500 0.44105100 -12.71960100 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=93) 0 -11.18512300 1.48692000 -10.91148400 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=93) 0 -12.24919000 1.57125800 -10.71304100 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=93) 0 -10.69346700 1.45278000 -9.93792600 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=93) 0 -10.76481500 2.76245800 -11.66867600 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=93) 0 -10.84290700 2.61530400 -12.74463000 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=93) 0 -11.46008800 3.55927900 -11.41191400 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=93) 0 -9.36861800 3.25712700 -11.31021600 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=93) 0 -9.19918300 4.04901000 -10.39215500 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=93) 0 -8.33967700 2.86041100 -12.02092900 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=93) 0 -7.40586700 3.11449500 -11.71921400 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=93) 0 -8.47902300 2.22265700 -12.80065400 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=93) 0 -9.68320800 -0.55709900 -11.16110500 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=93) 0 -8.57203800 -0.14694300 -11.48571700 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=94) 0 -9.84220600 -1.64998300 -10.40207400 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=94) 0 -10.78438500 -1.95416000 -10.18351700 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=94) 0 -8.73530900 -2.32987500 -9.70548700 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=94) 0 -7.79647200 -1.95101300 -10.10701700 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=94) 0 -8.75734600 -1.95874600 -8.21294200 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=94) 0 -9.67961400 -2.33773100 -7.77034200 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=94) 0 -7.92068400 -2.44523800 -7.71041700 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=94) 0 -8.64110300 -0.46513300 -7.96314300 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=94) 0 -7.52150200 0.24221400 -8.44693200 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=94) 0 -6.73215000 -0.28294600 -8.96596400 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=94) 0 -7.44587000 1.63976000 -8.30518000 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=94) 0 -6.60499900 2.17498400 -8.71280200 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=94) 0 -8.47945400 2.33256800 -7.64398200 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=94) 0 -8.44543600 3.68396300 -7.51933000 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=94) 0 -7.75329200 4.07901300 -8.06448000 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=94) 0 -9.57450400 1.62034900 -7.12414200 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=94) 0 -10.34432100 2.16643800 -6.61149800 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=94) 0 -9.66661800 0.22692700 -7.29260400 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=94) 0 -10.53454400 -0.30283800 -6.92666600 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=94) 0 -8.65215400 -3.84462000 -9.95578000 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=94) 0 -7.99470800 -4.55892700 -9.20404400 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=95) 0 -9.27336700 -4.34040200 -11.02912000 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=95) 0 -9.85636600 -3.71971700 -11.56749800 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=95) 0 -9.06922900 -5.70341900 -11.52644700 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=95) 0 -9.48233500 -5.78919400 -12.53187400 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=95) 0 -8.00044200 -5.89868100 -11.58144200 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=95) 0 -9.69702600 -6.77701700 -10.63880500 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=95) 0 -9.05738800 -7.31721100 -9.73191500 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=96) 0 -10.95876800 -7.09982500 -10.91982700 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=96) 0 -11.40619300 -6.60976700 -11.68978500 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=96) 0 -11.71917400 -8.15186600 -10.23746400 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=96) 0 -11.46050500 -8.13447900 -9.17964000 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=96) 0 -13.23761700 -7.90809600 -10.33994100 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=96) 0 -13.53684700 -7.93753700 -11.38523900 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=96) 0 -14.04569600 -8.94894000 -9.55457800 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=96) 0 -15.11196200 -8.74336500 -9.65383800 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=96) 0 -13.86178400 -9.94770400 -9.94386700 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=96) 0 -13.77435300 -8.92120200 -8.49890400 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=96) 0 -13.62292400 -6.53829400 -9.78621000 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=96) 0 -14.70325100 -6.41248500 -9.85690400 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=96) 0 -13.30085100 -6.44865400 -8.74833800 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=96) 0 -13.15434700 -5.75622200 -10.37951600 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=96) 0 -11.31591000 -9.51131400 -10.80662400 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=96) 0 -11.85763600 -9.97683600 -11.81837000 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=97) 0 -10.37829500 -10.18010600 -10.13334900 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=97) 0 -10.01330300 -9.72785600 -9.30227800 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=97) 0 -9.96483000 -11.56821700 -10.38631200 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=97) 0 -9.95341100 -11.72721700 -11.46310400 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=97) 0 -8.52621300 -11.79427200 -9.91323400 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=97) 0 -8.24988100 -12.80052500 -10.22218000 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=97) 0 -7.87426300 -11.10160000 -10.44410700 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=97) 0 -8.27407700 -11.62687800 -8.40096700 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=97) 0 -8.04890400 -10.58030800 -8.19384700 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=97) 0 -9.15472200 -11.90177400 -7.82246200 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=97) 0 -7.10609700 -12.50980200 -7.93929700 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=97) 0 -6.86674400 -12.26922400 -6.90487800 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=97) 0 -7.41245700 -13.55423100 -7.96062500 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=97) 0 -5.90802100 -12.29678400 -8.76754900 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=97) 0 -5.46507700 -11.38790200 -8.67271800 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=97) 0 -5.41984600 -13.08642500 -9.70408900 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=97) 0 -5.94433400 -14.24382900 -10.00113100 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=97) 0 -6.78757000 -14.55762400 -9.53679400 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=97) 0 -5.56806500 -14.80906600 -10.75013900 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=97) 0 -4.38935500 -12.68841200 -10.38570500 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=97) 0 -4.06324800 -11.73322800 -10.28324200 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=97) 0 -4.03807400 -13.26384900 -11.14228600 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=97) 0 -10.96465900 -12.59098000 -9.83815800 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=97) 0 -10.60627100 -13.52628100 -9.11975500 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=98) 0 -12.23583000 -12.40061100 -10.17155900 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=98) 0 -12.45283100 -11.61204900 -10.76390700 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=98) 0 -13.33311400 -13.17122900 -9.60808700 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=98) 0 -14.15939800 -13.21278300 -10.31434400 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=98) 0 -12.98772400 -14.18507100 -9.42805000 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=98) 0 -13.84784500 -12.64323700 -8.27385300 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=98) 0 -13.39273000 -11.62225600 -7.75616800 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=99) 0 -14.80747500 -13.36986400 -7.71256500 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=99) 0 -15.08972700 -14.22066200 -8.18638800 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=99) 0 -15.51224700 -13.00093300 -6.49016300 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=99) 0 -15.22650500 -11.98537600 -6.22976600 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=99) 0 -17.02153100 -12.95955200 -6.75423400 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=99) 0 -17.39184200 -13.98255200 -6.82505800 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=99) 0 -17.51500700 -12.50217700 -5.89816400 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=99) 0 -17.43363800 -12.20040700 -8.00597900 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=99) 0 -17.54119700 -10.79483000 -8.00053900 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=99) 0 -17.29362800 -10.23698700 -7.10746400 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=99) 0 -17.99883200 -10.11924700 -9.15175500 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=99) 0 -18.09323200 -9.04515500 -9.15046100 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=99) 0 -18.36906600 -10.85252700 -10.30064900 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=99) 0 -18.82947900 -10.23240800 -11.41577900 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=99) 0 -18.78719800 -9.26027300 -11.33793900 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=99) 0 -18.22164300 -12.25078300 -10.31553800 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=99) 0 -18.50097200 -12.80806100 -11.19853000 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=99) 0 -17.73463100 -12.91651200 -9.17898400 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=99) 0 -17.64356700 -13.99214700 -9.19110300 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=99) 0 -15.14984800 -13.96655900 -5.34309200 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=99) 0 -15.11599900 -15.18729200 -5.56450200 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=100) 0 -14.82582700 -13.46025400 -4.13748200 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=100) 0 -14.72330900 -14.25604000 -2.92580300 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=100) 0 -14.15386000 -15.16908500 -3.09569500 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=100) 0 -15.72704000 -14.50209400 -2.58905000 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=100) 0 -14.02981700 -13.37609300 -1.88506700 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=100) 0 -12.95404900 -13.53685100 -1.93140800 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=100) 0 -14.40463500 -13.56785900 -0.87945000 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=100) 0 -14.34277000 -11.95526800 -2.34706100 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=100) 0 -13.58620400 -11.24299600 -2.01436600 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=100) 0 -15.32190700 -11.65580300 -1.97577800 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=100) 0 -14.38126700 -12.09001800 -3.87214100 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=100) 0 -15.09622000 -11.36407900 -4.25791100 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=100) 0 -12.99050600 -11.83146000 -4.47858200 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=100) 0 -12.15411700 -12.73803000 -4.56403800 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=101) 0 -12.71356100 -10.58367500 -4.84440700 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=101) 0 -13.45085700 -9.89157000 -4.72871400 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=101) 0 -11.34407900 -10.07936900 -5.03815900 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=101) 0 -10.65707900 -10.91139600 -5.18152000 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=101) 0 -11.24347200 -9.20816800 -6.29701700 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=101) 0 -12.09813500 -8.54271100 -6.36055500 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=101) 0 -9.95965700 -8.38601200 -6.41757200 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=101) 0 -9.08993500 -9.04093000 -6.37996200 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=101) 0 -9.96402900 -7.84790000 -7.36307500 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=101) 0 -9.90036100 -7.65137500 -5.61602900 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=101) 0 -11.25649000 -10.05564900 -7.41406600 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=101) 0 -12.08133100 -10.58156000 -7.39278800 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=101) 0 -10.91175500 -9.34859300 -3.77141600 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=101) 0 -11.72843400 -8.69971100 -3.12320100 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=102) 0 -9.63693700 -9.46764800 -3.40406400 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=102) 0 -9.01331600 -10.00442100 -3.99650300 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=102) 0 -9.04427500 -8.81561200 -2.23652200 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=102) 0 -9.70620200 -8.01237900 -1.93165600 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=102) 0 -8.89394400 -9.77409200 -1.03060400 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=102) 0 -8.04797700 -10.43000100 -1.22148800 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=102) 0 -8.59234000 -8.92622200 0.21688800 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=102) 0 -8.41145400 -9.56742900 1.08028800 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=102) 0 -7.71004300 -8.30495700 0.07420700 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=102) 0 -9.44713900 -8.28401400 0.42612500 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=102) 0 -10.12105800 -10.65541400 -0.69314500 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=102) 0 -10.08544100 -10.92599700 0.36326100 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=102) 0 -11.03798000 -10.08860000 -0.85621000 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=102) 0 -10.18283300 -11.97825500 -1.46788400 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=102) 0 -10.42182400 -11.80339000 -2.51268100 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=102) 0 -9.22807600 -12.49950300 -1.39338600 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=102) 0 -10.95825100 -12.61057800 -1.03870100 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=102) 0 -7.68743800 -8.21625900 -2.63003700 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=102) 0 -6.83274700 -8.92637900 -3.16675300 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=103) 0 -7.47170800 -6.92815800 -2.34445300 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=103) 0 -8.23107000 -6.42086400 -1.89497300 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=103) 0 -6.22298300 -6.19404300 -2.63185200 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=103) 0 -5.42271300 -6.90920700 -2.82309000 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=103) 0 -6.39992300 -5.32175400 -3.88806400 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=103) 0 -7.31656300 -4.74066500 -3.80702200 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=103) 0 -5.56226500 -4.62470900 -3.95925700 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=103) 0 -6.41771000 -6.16544500 -5.16901800 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=103) 0 -5.47218500 -6.69776000 -5.22690300 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=103) 0 -7.23270100 -6.88889400 -5.13910200 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=103) 0 -6.56406600 -5.29876400 -6.42294500 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=103) 0 -7.61487800 -5.05941900 -6.59375200 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=103) 0 -6.01607500 -4.36704300 -6.28067300 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=103) 0 -5.96251900 -6.00333700 -7.64330100 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=103) 0 -5.90858400 -5.28457000 -8.46633400 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=103) 0 -4.94183000 -6.30326600 -7.39630100 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=103) 0 -6.73191500 -7.18908200 -8.08755900 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=103) 0 -7.64803400 -6.93699300 -8.45131700 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=103) 0 -6.23062900 -7.65355200 -8.83611300 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=103) 0 -6.80575700 -7.89141700 -7.35011400 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=103) 0 -5.75213100 -5.34717400 -1.44927800 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=103) 0 -6.52831500 -5.04672000 -0.55096800 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=104) 0 -4.49128600 -4.93657100 -1.46427700 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=104) 0 -3.92660600 -5.21974300 -2.25786000 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=104) 0 -3.86313000 -4.01844800 -0.51577800 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=104) 0 -4.55980800 -3.79267700 0.28899100 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=104) 0 -2.62752300 -4.70260400 0.07714500 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=104) 0 -2.94053700 -5.64466000 0.51841000 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=104) 0 -1.94984900 -4.94996400 -0.73730300 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=104) 0 -1.86960100 -3.90034800 1.12147800 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=104) 0 -2.50472900 -3.50007100 2.31336100 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=104) 0 -3.54000100 -3.75356700 2.48737400 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=104) 0 -1.80082100 -2.75705700 3.27796600 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=104) 0 -2.30148200 -2.44150600 4.18097500 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=104) 0 -0.45207900 -2.42496500 3.06313800 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=104) 0 0.09476500 -1.85401100 3.79942000 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=104) 0 0.18717000 -2.83321100 1.88081400 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=104) 0 1.22860500 -2.59817300 1.71570000 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=104) 0 -0.51906500 -3.56279600 0.90925700 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=104) 0 -0.01290600 -3.86778900 0.00241200 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=104) 0 -3.49556900 -2.69846300 -1.19465500 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=104) 0 -3.20825700 -2.68432000 -2.38721300 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=105) 0 -3.50613500 -1.61092400 -0.42353300 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=105) 0 -3.80384700 -1.72233600 0.54055900 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=105) 0 -3.15215400 -0.25228800 -0.83066700 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=105) 0 -2.44509400 -0.29357900 -1.66209300 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=105) 0 -4.41453900 0.49446900 -1.28420200 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=105) 0 -5.15682800 0.43020500 -0.48709000 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=105) 0 -4.15934500 1.54692100 -1.40530900 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=105) 0 -5.05199800 0.02305300 -2.57973200 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=105) 0 -4.77116000 0.69171900 -3.78660300 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=105) 0 -4.06143100 1.50658600 -3.79888500 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=105) 0 -5.41998000 0.30776300 -4.97381400 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=105) 0 -5.21066400 0.82537800 -5.89964500 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=105) 0 -6.33472700 -0.76007000 -4.96204000 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=105) 0 -6.83008500 -1.05410900 -5.87574400 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=105) 0 -6.59957400 -1.44720000 -3.76503500 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=105) 0 -7.30003400 -2.26909400 -3.75644300 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=105) 0 -5.96569600 -1.04871900 -2.57465500 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=105) 0 -6.17462500 -1.57030700 -1.65302400 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=105) 0 -2.49733200 0.50789900 0.33982700 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=105) 0 -2.71363800 0.18733700 1.51499400 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=106) 0 -1.71731500 1.54964400 0.02218800 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=106) 0 -1.64603200 1.81042000 -0.95355300 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=106) 0 -0.98407300 2.38859500 0.98970300 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=106) 0 -1.42791400 2.27497300 1.97689200 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=106) 0 0.50112000 1.98456300 1.03929800 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=106) 0 0.96562100 2.29761900 0.10160300 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=106) 0 0.96418000 2.53626300 1.85685600 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=106) 0 0.82281500 0.50159000 1.25083900 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=106) 0 0.50327500 0.19228000 2.24542500 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=106) 0 0.29872800 -0.09981400 0.50828900 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=106) 0 2.32810600 0.24974400 1.07430700 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=106) 0 2.47959100 -0.82533000 1.06216500 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=106) 0 2.64441200 0.63992500 0.10464400 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=106) 0 3.15242800 0.85936100 2.13671600 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=106) 0 3.41531200 1.83272300 2.04510100 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=106) 0 3.57210700 0.28344300 3.24494600 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=106) 0 3.47934000 -0.99084900 3.46153500 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=106) 0 3.45961200 -1.60925700 2.64997300 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=106) 0 3.88541400 -1.36974900 4.30904800 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=106) 0 4.10679100 1.02307500 4.16273200 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=106) 0 4.34478000 1.98177700 3.91279000 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=106) 0 4.35172700 0.65761300 5.07772300 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=106) 0 -1.04097000 3.86911200 0.60588900 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=106) 0 -1.25194700 4.17293200 -0.56017900 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=107) 0 -0.71380000 4.77484700 1.53053800 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=107) 0 -0.63382100 4.42447500 2.47893800 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=107) 0 -0.22084200 6.14246900 1.26117500 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=107) 0 -0.21047700 6.66296800 2.21951300 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=107) 0 1.23775900 6.05399000 0.77207200 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=107) 0 1.23966100 5.67079400 -0.24867800 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=107) 0 1.68749100 7.04693900 0.76026400 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=107) 0 2.10766700 5.16819500 1.63062700 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=107) 0 2.15240500 5.27917700 2.84826700 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=107) 0 2.81032600 4.24160300 1.04118700 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=107) 0 3.51561500 3.80199600 1.62427800 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=107) 0 2.90381100 4.21061800 0.03279700 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=107) 0 -1.06611200 7.03593100 0.31861000 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=107) 0 -0.51665300 7.91671500 -0.35380300 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=108) 0 -2.37718700 6.80448800 0.19575200 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=108) 0 -2.77662300 6.03280300 0.71996000 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=108) 0 -3.20387500 7.48627000 -0.81647000 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=108) 0 -4.25260400 7.37909200 -0.57519500 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=108) 0 -2.99008000 8.55340200 -0.78555200 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=108) 0 -2.97517700 7.00563000 -2.26151400 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=108) 0 -3.51366100 7.59724900 -3.19363600 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=109) 0 -2.15155000 5.97693800 -2.46056200 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=109) 0 -1.82180900 5.47066900 -1.64644800 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=109) 0 -1.52600200 5.59965600 -3.72545000 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=109) 0 -1.52271400 6.47204100 -4.38010800 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=109) 0 -0.06127000 5.21499500 -3.45154300 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=109) 0 0.39636200 5.97961500 -2.82486000 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=109) 0 -0.01263200 4.26869700 -2.91095800 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=109) 0 0.73415200 5.10906000 -4.74798400 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=109) 0 0.95554500 6.17065100 -5.38234700 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=109) 0 1.09869000 3.98483700 -5.15789400 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=109) 0 -2.28998200 4.48055700 -4.44316000 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=109) 0 -2.09986500 3.28895500 -4.19139400 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=110) 0 -3.14661900 4.85874300 -5.39106600 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=110) 0 -3.29369300 5.84810900 -5.55331200 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=110) 0 -3.90114100 3.88868000 -6.20300100 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=110) 0 -4.29861100 3.13359500 -5.52635400 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=110) 0 -5.10757600 4.53085000 -6.89362000 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=110) 0 -5.65292600 3.75052300 -7.42057700 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=110) 0 -6.05614000 5.20072700 -5.90010000 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=110) 0 -5.55648900 6.01452800 -5.37391400 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=110) 0 -6.91727300 5.60338400 -6.42741300 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=110) 0 -6.40856700 4.46308800 -5.18256700 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=110) 0 -4.71186900 5.51022500 -7.82381100 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=110) 0 -5.43273100 5.54834700 -8.47940500 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=110) 0 -3.03289900 3.12726200 -7.21492200 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=110) 0 -3.48627100 2.11986200 -7.75760300 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=111) 0 -1.77558500 3.54452900 -7.41535600 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=111) 0 -1.49481900 4.41251800 -6.98050800 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=111) 0 -0.73575900 2.81222400 -8.14656100 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=111) 0 -1.19399200 2.36057700 -9.02650800 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=111) 0 0.31201500 3.81706100 -8.63848600 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=111) 0 0.79327500 4.30633100 -7.79250800 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=111) 0 1.07827700 3.29500000 -9.21075600 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=111) 0 -0.15764500 4.55962400 -9.28319800 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=111) 0 -0.09288700 1.65355300 -7.34679200 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=111) 0 0.78201900 0.95778400 -7.86536700 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=112) 0 -0.55247500 1.38589000 -6.11730100 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=112) 0 -1.21090400 2.03735000 -5.70761800 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=112) 0 -0.11090000 0.25926400 -5.27706500 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=112) 0 0.75657600 -0.20955400 -5.73985600 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=112) 0 0.36200700 0.81675300 -3.92274300 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=112) 0 -0.44197400 1.38391800 -3.45173900 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=112) 0 0.63548700 -0.00948500 -3.26486500 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=112) 0 1.50578300 1.63831400 -4.07821200 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=112) 0 1.23729200 2.49034400 -4.50344600 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=112) 0 -1.14915800 -0.88142500 -5.09211700 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=112) 0 -1.28282700 -1.34485100 -3.96257400 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=113) 0 -1.90009100 -1.35890900 -6.11652900 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=113) 0 -1.78282900 -1.01743400 -7.53111300 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=113) 0 -0.77600100 -1.20291600 -7.90402400 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=113) 0 -2.06313400 0.02147800 -7.68128800 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=113) 0 -2.79687200 -1.87770200 -8.28095800 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=113) 0 -2.35462800 -2.83860400 -8.54705700 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=113) 0 -3.17776600 -1.37212200 -9.16638700 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=113) 0 -3.87736100 -2.06431300 -7.22261500 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=113) 0 -4.54735400 -2.89033500 -7.45914200 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=113) 0 -4.44723700 -1.14073100 -7.12883000 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=113) 0 -3.02776800 -2.29562300 -5.96221400 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=113) 0 -3.61119600 -2.02550400 -5.08052800 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=113) 0 -2.59113300 -3.77211200 -5.80653400 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=113) 0 -2.99723200 -4.63991200 -6.58905900 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=114) 0 -1.74200800 -4.08254100 -4.82222200 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=114) 0 -1.50494900 -3.33455400 -4.17415500 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=114) 0 -1.17795500 -5.42909700 -4.60038000 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=114) 0 -0.63531600 -5.72700600 -5.49623400 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=114) 0 -0.18972400 -5.35535100 -3.42344800 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=114) 0 0.61211200 -4.66129300 -3.67927100 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=114) 0 -0.71415600 -4.92746900 -2.57078100 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=114) 0 0.42754000 -6.69432700 -2.96812600 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=114) 0 0.89924800 -6.51436000 -2.00195600 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=114) 0 -0.35129200 -7.43046700 -2.78381700 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=114) 0 1.50588400 -7.26145500 -3.91442600 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=114) 0 1.90129300 -6.45638000 -4.53611100 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=114) 0 2.33389700 -7.62978900 -3.30660200 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=114) 0 1.05302700 -8.40550800 -4.82596700 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=114) 0 0.19425400 -8.08278900 -5.41424100 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=114) 0 1.87011000 -8.63350000 -5.51584400 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=114) 0 0.71367500 -9.62347800 -4.05870700 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=114) 0 -0.14912200 -9.51245900 -3.53405600 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=114) 0 0.57334200 -10.43165100 -4.66341200 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=114) 0 1.43668500 -9.87538100 -3.38811000 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=114) 0 -2.28015600 -6.45904200 -4.33616800 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=114) 0 -3.09562300 -6.27785700 -3.43945100 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=115) 0 -2.28299400 -7.57596400 -5.05868400 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=115) 0 -1.65616000 -7.64172400 -5.85220200 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=115) 0 -3.19734800 -8.69465700 -4.78883700 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=115) 0 -4.21821000 -8.32043900 -4.81975900 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=115) 0 -3.03860800 -9.75842600 -5.88752800 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=115) 0 -2.78160200 -9.27952800 -6.83363400 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=115) 0 -2.21947700 -10.42781600 -5.62319200 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=115) 0 -4.31714700 -10.57661200 -6.09532200 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=115) 0 -4.06317400 -11.47916200 -6.65452100 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=115) 0 -4.72372500 -10.88529300 -5.13002800 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=115) 0 -5.35826900 -9.78159600 -6.89061200 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=115) 0 -5.19635100 -9.63888700 -8.12347700 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=115) 0 -6.36960500 -9.32642900 -6.31231200 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=115) 0 -2.96577500 -9.30180600 -3.39004200 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=115) 0 -1.82464800 -9.56250700 -3.00664800 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=116) 0 -4.03110600 -9.55101200 -2.62731400 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=116) 0 -4.95562100 -9.33506300 -2.98765200 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=116) 0 -3.96421600 -10.27100200 -1.35106600 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=116) 0 -2.96839000 -10.16428200 -0.91812300 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=116) 0 -4.96706100 -9.66631000 -0.36142000 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=116) 0 -4.60146000 -8.68435900 -0.06670800 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=116) 0 -5.90948500 -9.51583800 -0.87662300 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=116) 0 -5.25974700 -10.50291700 0.87609800 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=116) 0 -4.56506000 -10.26641600 2.07544700 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=116) 0 -3.81392400 -9.49226600 2.11335100 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=116) 0 -4.86217500 -11.02115100 3.22765700 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=116) 0 -4.34238200 -10.82941400 4.14984500 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=116) 0 -5.85968200 -12.01688700 3.18263400 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=116) 0 -6.16000600 -12.74611200 4.28533600 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=116) 0 -5.54347600 -12.58003500 5.00884200 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=116) 0 -6.54632400 -12.26479600 1.98084100 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=116) 0 -7.29762200 -13.03892000 1.95517500 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=116) 0 -6.23938700 -11.51738200 0.83025500 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=116) 0 -6.75380400 -11.73733800 -0.09296000 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=116) 0 -4.23663100 -11.76126400 -1.55448900 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=116) 0 -5.13726700 -12.14273900 -2.30694700 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=117) 0 -3.51920200 -12.61841400 -0.82604200 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=117) 0 -2.78140500 -12.25142300 -0.23978400 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=117) 0 -3.92950800 -14.00820300 -0.57683200 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=117) 0 -5.01426200 -14.03035900 -0.49775900 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=117) 0 -3.52101500 -14.94463600 -1.72941200 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=117) 0 -2.43532400 -14.94684300 -1.82197800 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=117) 0 -4.01614200 -16.37922200 -1.54394800 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=117) 0 -5.10569000 -16.40273600 -1.50872200 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=117) 0 -3.65964200 -17.00379900 -2.36019700 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=117) 0 -3.61827000 -16.79847900 -0.62613200 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=117) 0 -4.09414800 -14.50436900 -2.94906900 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=117) 0 -4.59327200 -13.68718100 -2.74008100 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=117) 0 -3.35132000 -14.50855400 0.75144100 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=117) 0 -2.19809500 -14.23361700 1.08255600 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=118) 0 -4.14891700 -15.26406400 1.50284100 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=118) 0 -5.09786500 -15.39391000 1.16205200 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=118) 0 -3.76306000 -16.05731200 2.66992200 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=118) 0 -2.78025600 -16.50023500 2.50353200 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=118) 0 -3.67676400 -15.12901700 3.89199600 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=118) 0 -4.65233000 -14.69726800 4.09207600 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=118) 0 -3.35057700 -15.69483400 4.76380200 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=118) 0 -2.96454900 -14.32451200 3.70551000 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=118) 0 -4.78377400 -17.20981600 2.82626300 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=118) 0 -5.00403000 -17.97023800 1.87716000 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=119) 0 -5.44032900 -17.31429600 3.98506000 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=119) 0 -5.12863900 -16.70955200 4.72875700 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=119) 0 -6.82388000 -17.78932400 4.08958600 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=119) 0 -7.02138400 -18.55882100 3.34507400 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=119) 0 -6.98102600 -18.22947200 5.07096100 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=119) 0 -7.81006400 -16.63144800 3.86970800 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=119) 0 -7.60563000 -15.82233000 2.96214700 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=120) 0 -8.87016400 -16.52692300 4.68011300 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=120) 0 -8.98684200 -17.24022600 5.39493100 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=120) 0 -9.81653200 -15.38597300 4.69025000 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=120) 0 -9.29761800 -14.49392600 4.33438900 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=120) 0 -11.00776600 -15.66951800 3.75446100 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=120) 0 -11.45385100 -16.62872300 4.01064600 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=120) 0 -11.76998300 -14.90483200 3.90549600 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=120) 0 -10.61811700 -15.64710400 2.27200100 L H-H1 57 0.0000 H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=120) 0 -10.12494300 -14.69929000 2.04981600 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=120) 0 -9.93617300 -16.46678900 2.05013900 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=120) 0 -10.33344100 -14.99175700 6.08094700 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=120) 0 -11.13956100 -14.07244800 6.17422200 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=121) 0 -9.90096900 -15.65798700 7.14848100 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=121) 0 -9.18690300 -16.36747200 7.02777100 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=121) 0 -10.28414500 -15.31529000 8.51976100 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=121) 0 -11.35700900 -15.13654200 8.52588200 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=121) 0 -9.98457600 -16.50095800 9.45791000 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=121) 0 -10.02721000 -17.43541900 8.89641700 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=121) 0 -8.98641300 -16.39402900 9.88609800 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=121) 0 -11.03720800 -16.56320400 10.56982200 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=121) 0 -11.04897800 -15.60997100 11.09134600 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=121) 0 -12.01242700 -16.72479900 10.11173900 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=121) 0 -10.81096600 -17.65718300 11.60698300 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=121) 0 -10.21209200 -18.71192300 11.28977200 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=121) 0 -11.26017400 -17.46904400 12.76223100 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=121) 0 -9.60213000 -14.01791900 8.98720300 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=121) 0 -8.58341700 -13.60827700 8.42915300 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=122) 0 -10.11615700 -13.36668800 10.03010100 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=122) 0 -11.00237400 -13.68508100 10.41985100 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=122) 0 -9.57517000 -12.09760400 10.51100700 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=122) 0 -9.69576400 -11.36950700 9.71184400 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=122) 0 -10.41124500 -11.63766400 11.69778300 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=122) 0 -10.35187100 -12.36710600 12.50589200 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=122) 0 -10.05151000 -10.67231000 12.05228400 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=122) 0 -11.43744700 -11.54277300 11.35539300 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=122) 0 -8.07789900 -12.13692700 10.85983400 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=122) 0 -7.37509100 -11.17232400 10.57616100 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=123) 0 -7.55208400 -13.23855100 11.39890300 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=123) 0 -8.18987800 -13.96681600 11.70178500 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=123) 0 -6.10575600 -13.40645800 11.59556900 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=123) 0 -5.70672600 -12.43657400 11.89225700 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=123) 0 -5.79630900 -14.34347800 12.76987300 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=123) 0 -4.75218500 -14.19960400 13.05373400 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=123) 0 -6.40835000 -14.06066800 13.62827100 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=123) 0 -6.01422100 -15.81979300 12.45389500 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=123) 0 -7.17514800 -16.28763100 12.53531400 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=123) 0 -5.02036300 -16.54515000 12.21406900 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=123) 0 -5.34874500 -13.79211900 10.31163000 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=123) 0 -4.17445800 -13.46171700 10.20160800 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=124) 0 -5.99692000 -14.37607400 9.29677900 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=124) 0 -6.99487600 -14.52474200 9.38631800 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=124) 0 -5.39249900 -14.54190000 7.96121600 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=124) 0 -4.40714800 -14.99428900 8.07358800 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=124) 0 -6.24665600 -15.44159600 7.05151400 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=124) 0 -7.17123600 -14.92742400 6.79437200 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=124) 0 -5.69921900 -15.58703500 6.12190700 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=124) 0 -6.58269400 -16.81857500 7.61457500 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=124) 0 -5.76454400 -17.39158600 8.36454100 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=124) 0 -7.63871700 -17.36870600 7.22959000 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=124) 0 -5.23095300 -13.18580600 7.25546000 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=124) 0 -4.27580100 -12.95789400 6.50738800 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=125) 0 -6.17887000 -12.27862400 7.49013200 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=125) 0 -6.98111500 -12.59674900 8.03003500 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=125) 0 -6.17545900 -10.88436200 7.04112500 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=125) 0 -5.90458500 -10.82960800 5.98904100 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=125) 0 -7.61130200 -10.32498600 7.19794500 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=125) 0 -7.97611300 -10.58587400 8.18954200 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=125) 0 -7.64421100 -8.79410700 7.08706100 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=125) 0 -7.12875500 -8.34083900 7.93313900 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=125) 0 -7.16619500 -8.48016900 6.16408100 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=125) 0 -8.67236000 -8.43819000 7.09142700 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=125) 0 -8.55929400 -10.96934900 6.15766900 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=125) 0 -8.38471700 -10.52256300 5.17768600 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=125) 0 -8.35067100 -12.03619800 6.07565200 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=125) 0 -10.04455600 -10.83759100 6.51957900 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=125) 0 -10.34408100 -9.79225400 6.56304200 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=125) 0 -10.64128700 -11.34547800 5.76284700 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=125) 0 -10.23756400 -11.30876600 7.48255000 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=125) 0 -5.11312600 -10.09487900 7.81690500 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=125) 0 -4.23697400 -9.46222400 7.22281100 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=126) 0 -5.14515300 -10.16856600 9.14905300 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=126) 0 -5.89611700 -10.70284500 9.57832700 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=126) 0 -4.28883500 -9.36003000 10.02110000 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=126) 0 -4.24718900 -8.35849600 9.59405700 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=126) 0 -4.91584400 -9.20229800 11.42158500 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=126) 0 -5.19186900 -10.17837900 11.81809800 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=126) 0 -3.96885200 -8.52519500 12.41422300 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=126) 0 -3.60477000 -7.59075900 11.99000000 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=126) 0 -4.48954400 -8.31727600 13.35025100 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=126) 0 -3.13189400 -9.18678300 12.63354100 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=126) 0 -6.16159100 -8.30680800 11.32178800 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=126) 0 -6.63244800 -8.20852200 12.29775400 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=126) 0 -5.87886400 -7.32087300 10.96121300 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=126) 0 -6.88910000 -8.72920600 10.63184300 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=126) 0 -2.83920000 -9.84902800 10.02948600 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=126) 0 -1.96100100 -9.00784400 9.87416800 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=127) 0 -2.53847900 -11.15378900 10.08381300 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=127) 0 -3.28417200 -11.83814900 10.17634200 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=127) 0 -1.15013000 -11.64699100 9.99334900 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=127) 0 -0.57442400 -11.26307200 10.83767100 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=127) 0 -1.11038100 -13.18529800 10.00921000 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=127) 0 -1.81984000 -13.57186300 9.28271200 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=127) 0 -0.11768300 -13.51469900 9.70502600 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=127) 0 -1.38852200 -13.83404700 11.34652400 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=127) 0 -1.47021600 -13.19676800 12.38760300 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=127) 0 -1.45874100 -15.13996900 11.36914200 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=127) 0 -1.75964800 -15.60078800 12.21947600 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=127) 0 -1.42491100 -15.65655400 10.50201600 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=127) 0 -0.45456300 -11.17501600 8.70883600 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=127) 0 0.72478000 -10.83062000 8.73449700 L N-N--0.415700(PDBName=N,ResName=TRP,ResNum=128) 0 -1.18458000 -11.13224500 7.59195800 L H-H-0.271900(PDBName=H,ResName=TRP,ResNum=128) 0 -2.14673000 -11.43998800 7.63930600 L C-CT--0.027500(PDBName=CA,ResName=TRP,ResNum=128) 0 -0.66613600 -10.67393400 6.30476500 L H-H1-0.112300(PDBName=HA,ResName=TRP,ResNum=128) 0 0.26541200 -11.19971900 6.09175700 L C-CT--0.005000(PDBName=CB,ResName=TRP,ResNum=128) 0 -1.68896100 -11.04801700 5.23162400 L H-HC-0.033900(PDBName=HB2,ResName=TRP,ResNum=128) 0 -1.98878200 -12.08573300 5.37759200 L H-HC-0.033900(PDBName=HB3,ResName=TRP,ResNum=128) 0 -2.57246700 -10.42707900 5.36857800 L C-C*--0.141500(PDBName=CG,ResName=TRP,ResNum=128) 0 -1.22587800 -10.91290400 3.81906700 L C-CW--0.163800(PDBName=CD1,ResName=TRP,ResNum=128) 0 -0.72313900 -11.91291400 3.06397700 L H-H4-0.206200(PDBName=HD1,ResName=TRP,ResNum=128) 0 -0.58270600 -12.93468200 3.39637200 L N-NA--0.341800(PDBName=NE1,ResName=TRP,ResNum=128) 0 -0.41013700 -11.43657400 1.80735200 L H-H-0.341200(PDBName=HE1,ResName=TRP,ResNum=128) 0 0.04914000 -12.01188100 1.10480700 L C-CN-0.138000(PDBName=CE2,ResName=TRP,ResNum=128) 0 -0.72039800 -10.10113400 1.67893000 L C-CA--0.260100(PDBName=CZ2,ResName=TRP,ResNum=128) 0 -0.61359400 -9.18697400 0.62181800 L H-HA-0.157200(PDBName=HZ2,ResName=TRP,ResNum=128) 0 -0.22108400 -9.50173600 -0.33537400 L C-CA--0.113400(PDBName=CH2,ResName=TRP,ResNum=128) 0 -1.01567400 -7.85722600 0.83014800 L H-HA-0.141700(PDBName=HH2,ResName=TRP,ResNum=128) 0 -0.93304000 -7.13848700 0.02615100 L C-CA--0.197200(PDBName=CZ3,ResName=TRP,ResNum=128) 0 -1.51051600 -7.46317900 2.08820400 L H-HA-0.144700(PDBName=HZ3,ResName=TRP,ResNum=128) 0 -1.80896200 -6.43972000 2.25586600 L C-CA--0.238700(PDBName=CE3,ResName=TRP,ResNum=128) 0 -1.61290000 -8.38746800 3.14191300 L H-HA-0.170000(PDBName=HE3,ResName=TRP,ResNum=128) 0 -2.00671400 -8.07354900 4.09608600 L C-CB-0.124300(PDBName=CD2,ResName=TRP,ResNum=128) 0 -1.22549300 -9.73175600 2.96259200 L C-C-0.597300(PDBName=C,ResName=TRP,ResNum=128) 0 -0.36601000 -9.16607900 6.31468000 L O-O--0.567900(PDBName=O,ResName=TRP,ResNum=128) 0 0.67568700 -8.73880500 5.81548600 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=129) 0 -1.22934000 -8.35866000 6.94231000 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=129) 0 -2.07316500 -8.77638800 7.32165500 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=129) 0 -1.01942600 -6.91833300 7.14300900 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=129) 0 -0.74122100 -6.46946400 6.18904800 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=129) 0 -2.34421200 -6.29332900 7.62550900 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=129) 0 -2.72513500 -6.88500900 8.45784900 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=129) 0 -2.15225500 -5.28838800 8.00325100 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=129) 0 -3.42138200 -6.21263600 6.52361800 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=129) 0 -3.43593400 -7.13726800 5.94810600 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=129) 0 -4.81029100 -6.01567600 7.13193100 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=129) 0 -4.85667000 -5.08923200 7.69786500 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=129) 0 -5.55909700 -5.99129000 6.34126700 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=129) 0 -5.04023000 -6.85150400 7.79150200 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=129) 0 -3.13378400 -5.04787600 5.57284500 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=129) 0 -3.08623600 -4.11184800 6.12659200 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=129) 0 -2.19251700 -5.21058700 5.04984900 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=129) 0 -3.92682800 -4.97210100 4.83313200 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=129) 0 0.13953100 -6.63205100 8.11828000 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=129) 0 0.96164700 -5.74765200 7.85565600 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=130) 0 0.28553200 -7.43001000 9.18442000 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=130) 0 -0.43757300 -8.13199800 9.32639200 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=130) 0 1.36886300 -7.37495900 10.19407200 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=130) 0 1.50474200 -6.33545800 10.49749900 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=130) 0 0.96218000 -8.18458300 11.44973600 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=130) 0 0.87476300 -9.22993100 11.14816600 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=130) 0 1.75922700 -8.13322800 12.19317300 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=130) 0 -0.36349300 -7.78386700 12.13179300 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=130) 0 -1.03703400 -7.33310500 11.40607800 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=130) 0 -0.82424000 -8.70324200 12.49491100 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=130) 0 -0.26502800 -6.81761000 13.31820800 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=130) 0 0.39544500 -7.23076000 14.08265400 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=130) 0 0.11930200 -5.85698900 12.97362600 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=130) 0 -1.68540900 -6.65727700 13.88590300 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=130) 0 -2.33960400 -6.27684800 13.09862800 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=130) 0 -2.05662300 -7.64232700 14.18481800 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=130) 0 -1.76035200 -5.75142400 15.04896200 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=130) 0 -1.19644400 -6.09428200 15.82002400 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=130) 0 -1.42395300 -4.82561900 14.82444600 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=130) 0 -2.72677100 -5.69597100 15.38566600 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=130) 0 2.74097900 -7.83768100 9.64835200 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=130) 0 3.63845400 -8.15837900 10.42536000 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=131) 0 2.90510300 -7.88773000 8.31765100 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=131) 0 2.07188500 -7.73689800 7.76837800 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=131) 0 4.15723900 -8.17462100 7.58301300 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=131) 0 4.97949100 -8.24417400 8.29869500 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=131) 0 4.03300800 -9.53261600 6.86601000 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=131) 0 3.13337000 -9.53960000 6.25233100 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=131) 0 4.89519500 -9.69714500 6.21828600 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=131) 0 3.97961500 -10.66972400 7.88739500 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=131) 0 4.94819100 -10.72326700 8.38026000 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=131) 0 3.21715500 -10.45311700 8.63164600 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=131) 0 3.68422800 -12.03612500 7.26847100 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=131) 0 2.94326100 -11.92933000 6.47539500 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=131) 0 4.60431600 -12.43517300 6.83967400 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=131) 0 3.12557100 -13.00952900 8.31465200 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=131) 0 2.11869000 -12.68396500 8.58734900 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=131) 0 3.04576300 -14.00272000 7.86273700 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=131) 0 3.96260800 -13.07983000 9.53471300 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=131) 0 4.05628100 -12.17764400 9.99471800 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=131) 0 3.57201000 -13.73785500 10.20273900 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=131) 0 4.90329500 -13.40091200 9.32284000 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=131) 0 4.56520000 -7.06673500 6.60122100 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=131) 0 5.58385200 -7.20417400 5.92251500 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=132) 0 3.78978700 -5.97958600 6.51423600 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=132) 0 2.97100800 -5.95568300 7.10379300 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=132) 0 4.06026500 -4.84263200 5.60981900 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=132) 0 5.14085600 -4.74559100 5.48562800 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=132) 0 3.46052300 -5.14861600 4.22493100 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=132) 0 3.72289600 -4.34073800 3.54203800 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=132) 0 3.92360700 -6.05924200 3.84616800 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=132) 0 1.93097000 -5.32303200 4.21844600 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=132) 0 1.62897100 -6.08311900 4.93963700 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=132) 0 1.46074200 -4.37744100 4.48817300 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=132) 0 1.43154800 -5.73359200 2.83175500 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=132) 0 0.34357400 -5.67718700 2.82745100 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=132) 0 1.80540500 -5.01574000 2.10108500 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=132) 0 1.84277100 -7.10621800 2.48017800 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=132) 0 1.58665900 -7.85935900 3.10477600 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=132) 0 2.49242100 -7.49003400 1.39923800 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=132) 0 2.87446500 -6.67264400 0.47127500 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=132) 0 2.74303300 -5.66373300 0.54862900 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=132) 0 3.42664500 -7.01774800 -0.29631000 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=132) 0 2.78455500 -8.74351100 1.23733800 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=132) 0 2.53548000 -9.38071900 1.98691200 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=132) 0 3.28117400 -9.06581400 0.42062000 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=132) 0 3.59923500 -3.47542300 6.11716800 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=132) 0 4.11231800 -2.45547100 5.67184400 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=133) 0 2.60906900 -3.42849800 7.00468500 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=133) 0 2.23176900 -4.29416700 7.35448200 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=133) 0 2.07312300 -2.16790000 7.54704500 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=133) 0 2.02296200 -1.44043000 6.73575000 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=133) 0 0.64874000 -2.34391800 8.07657700 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=133) 0 0.31001700 -1.39774800 8.49816000 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=133) 0 -0.31287700 -2.75876800 6.96243700 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=133) 0 -0.07154600 -3.74908900 6.58132700 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=133) 0 -1.33296900 -2.76165300 7.34178100 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=133) 0 -0.23657600 -2.04680300 6.14463300 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=133) 0 0.60647300 -3.33429000 9.07160900 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=133) 0 0.76492900 -4.19278000 8.65099100 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=133) 0 2.99519300 -1.56237400 8.60840000 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=133) 0 3.77079600 -2.27145300 9.25048900 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=134) 0 2.93583100 -0.24023900 8.77267700 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=134) 0 2.22728400 0.26889800 8.26506200 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=134) 0 4.07596500 0.55158000 9.24507500 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=134) 0 3.71502000 1.42285800 9.79142900 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=134) 0 4.69636800 -0.04448800 9.91464300 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=134) 0 4.92965000 1.03339900 8.05892200 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=134) 0 4.50848500 0.87365900 6.90618200 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=135) 0 6.10369500 1.64711500 8.29331100 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=135) 0 6.77100600 1.80587400 9.57708200 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=135) 0 6.74412600 0.88480100 10.16030100 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=135) 0 6.30428100 2.62220800 10.13033000 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=135) 0 8.22015400 2.16710500 9.24466300 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=135) 0 8.80716200 1.25941400 9.10157600 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=135) 0 8.66952900 2.79279000 10.01587500 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=135) 0 8.09319200 2.91000800 7.91533900 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=135) 0 9.01129900 2.85506200 7.32885800 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=135) 0 7.83267900 3.94755000 8.11118100 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=135) 0 6.91507600 2.21990600 7.22211200 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=135) 0 6.32957700 2.96623100 6.68837200 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=135) 0 7.37517800 1.14607300 6.23217300 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=135) 0 7.86251100 0.09080200 6.63980600 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=136) 0 7.24315300 1.42065900 4.92994600 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=136) 0 6.80382500 2.29759400 4.66395300 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=136) 0 7.61090300 0.46000900 3.88266700 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=136) 0 7.05783600 -0.46766500 4.04476900 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=136) 0 7.22937900 1.02099800 2.51198600 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=136) 0 7.71849600 1.98119700 2.35476300 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=136) 0 7.54796300 0.32307900 1.73570800 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=136) 0 6.15377000 1.14101300 2.43288800 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=136) 0 9.10551600 0.10961100 3.90448300 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=136) 0 9.46766200 -1.02395200 3.59736100 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=137) 0 9.96449300 1.05829500 4.29489400 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=137) 0 9.59334600 1.95630400 4.55706400 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=137) 0 11.34756200 0.76392900 4.63695700 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=137) 0 11.68280100 -0.06732300 4.02574600 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=137) 0 12.24830600 1.95020300 4.28539400 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=137) 0 12.06994700 2.77848800 4.96787000 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=137) 0 13.28344800 1.63148200 4.37988000 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=137) 0 12.07354100 2.27064500 3.25891500 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=137) 0 11.43502400 0.34023600 6.11154800 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=137) 0 11.41755900 1.18352600 7.01211900 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=138) 0 11.52534300 -0.96625100 6.35282900 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=138) 0 11.49556800 -1.60517100 5.56162300 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=138) 0 11.67919800 -1.55942500 7.68743200 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=138) 0 10.81866200 -1.28912300 8.29409400 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=138) 0 11.75699000 -3.08789000 7.57609700 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=138) 0 12.67821800 -3.35237100 7.06133000 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=138) 0 11.71745000 -3.79712300 8.92828900 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=138) 0 10.79916800 -3.54110800 9.45601000 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=138) 0 11.75090600 -4.87591300 8.77408400 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=138) 0 12.57853000 -3.50907100 9.53157800 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=138) 0 10.66491800 -3.57644100 6.83124200 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=138) 0 10.94246500 -4.43752600 6.45712300 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=138) 0 12.95369300 -1.04421700 8.35189800 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=138) 0 14.02124300 -1.07922100 7.74169900 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=139) 0 12.88266300 -0.56999600 9.59432800 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=139) 0 11.98900600 -0.55230900 10.07126400 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=139) 0 14.06461300 0.00526500 10.25914100 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=139) 0 14.61287300 0.58396700 9.51691000 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=139) 0 13.67686500 0.99260400 11.36349200 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=139) 0 13.23062900 0.45077800 12.19653600 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=139) 0 14.88772300 1.78638200 11.85105100 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=139) 0 15.35619600 2.30715900 11.01518900 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=139) 0 14.56940700 2.51747500 12.59009500 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=139) 0 15.61288700 1.12109000 12.31847000 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=139) 0 12.73891200 1.92517700 10.86251400 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=139) 0 11.90769600 1.76500000 11.35183200 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=139) 0 15.00200200 -1.09283800 10.77463700 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=139) 0 14.58310500 -1.99056000 11.50603900 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=140) 0 16.27841800 -1.01895300 10.39070600 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=140) 0 16.52678200 -0.24515900 9.78213400 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=140) 0 17.31418800 -2.03069400 10.60926400 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=140) 0 16.87472900 -2.91794400 11.06262600 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=140) 0 17.91396100 -2.42937700 9.24660700 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=140) 0 18.31058900 -1.52962600 8.77964000 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=140) 0 18.75312000 -3.10478300 9.42395400 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=140) 0 16.95804700 -3.09067400 8.24118200 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=140) 0 16.08757700 -2.46301900 8.08092000 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=140) 0 17.69620100 -3.23320300 6.91036500 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=140) 0 18.64844500 -3.73410400 7.06736100 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=140) 0 17.09985200 -3.80575200 6.20340900 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=140) 0 17.88219200 -2.24294500 6.49649400 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=140) 0 16.49944000 -4.46735800 8.71440600 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=140) 0 15.89471400 -4.36556300 9.61539200 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=140) 0 15.89029200 -4.94227400 7.94697600 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=140) 0 17.36541100 -5.08905000 8.92273600 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=140) 0 18.43081000 -1.48247600 11.51895000 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=140) 0 19.17673500 -0.59110400 11.09390000 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=141) 0 18.60703700 -1.99849200 12.74693300 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=141) 0 17.68347100 -2.86698700 13.46451400 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=141) 0 17.62083000 -3.85313600 13.00204900 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=141) 0 16.69945900 -2.39949200 13.49196000 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=141) 0 18.23220500 -2.98529300 14.88793900 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=141) 0 18.86024000 -3.87169200 14.97012000 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=141) 0 17.43265800 -3.01059300 15.62911000 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=141) 0 19.10941200 -1.74820500 15.04148100 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=141) 0 19.88305300 -1.89814300 15.79508600 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=141) 0 18.48825100 -0.88821200 15.29777000 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=141) 0 19.68393200 -1.56414900 13.63468200 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=141) 0 19.89730200 -0.50792400 13.48150500 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=141) 0 20.99678500 -2.34131300 13.43178500 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=141) 0 22.03731800 -1.89437700 13.92107100 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=142) 0 20.96669900 -3.48585700 12.73814300 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=142) 0 20.07974000 -3.79308400 12.36695300 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=142) 0 22.07315000 -4.44730000 12.66103600 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=142) 0 23.01314900 -3.90692100 12.77865900 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=142) 0 21.95230800 -5.42320400 13.83785100 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=142) 0 22.90727900 -5.93591700 13.96272100 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=142) 0 21.74927200 -4.87611600 14.76052300 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=142) 0 20.85947600 -6.46057500 13.59478000 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=142) 0 21.18708000 -7.53219300 13.03961500 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=142) 0 19.68708500 -6.22826300 13.96031200 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=142) 0 22.14675800 -5.22247300 11.32373900 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=142) 0 21.19460000 -5.26496600 10.53837300 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=143) 0 23.29693800 -5.85710300 11.07225000 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=143) 0 24.03956900 -5.80851500 11.76460100 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=143) 0 23.59521900 -6.57502800 9.83128600 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=143) 0 23.34688400 -5.93831800 8.98343600 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=143) 0 24.66710700 -6.76938300 9.80849700 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=143) 0 22.88175200 -7.92041600 9.64460100 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=143) 0 22.72569000 -8.35011200 8.49809200 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=144) 0 22.42408900 -8.58048000 10.71338900 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=144) 0 22.47794600 -8.13629100 11.62333400 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=144) 0 21.68772000 -9.84442400 10.62572500 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=144) 0 22.15546300 -10.46867800 9.86915700 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=144) 0 21.78516800 -10.61885900 11.94283800 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=144) 0 21.27111600 -10.08746300 12.74258100 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=144) 0 21.32135300 -11.59867100 11.82173300 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=144) 0 22.83117700 -10.76190100 12.20750000 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=144) 0 20.22973000 -9.59634800 10.21932700 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=144) 0 19.68552300 -10.31384900 9.37582400 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=145) 0 19.60769300 -8.54171700 10.75508700 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=145) 0 20.08735400 -8.01635800 11.48482900 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=145) 0 18.30370700 -8.07635900 10.28762000 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=145) 0 17.58244200 -8.88948800 10.38716500 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=145) 0 17.85032300 -6.91714000 11.18332800 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=145) 0 18.55519900 -6.08683000 11.11885500 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=145) 0 16.86166300 -6.57778800 10.87360900 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=145) 0 17.79190100 -7.25231100 12.21936500 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=145) 0 18.36157000 -7.68299800 8.79749600 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=145) 0 17.49820900 -8.08695500 8.01687400 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=146) 0 19.42016100 -6.97413700 8.38188200 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=146) 0 20.07789700 -6.64522600 9.07916900 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=146) 0 19.62271800 -6.56156300 6.99234800 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=146) 0 18.77570000 -5.94427700 6.69298900 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=146) 0 20.89524900 -5.70800800 6.92210300 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=146) 0 21.76217800 -6.29673500 7.21618800 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=146) 0 21.04955300 -5.35864400 5.90202500 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=146) 0 20.80089300 -4.84915900 7.58699400 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=146) 0 19.67238300 -7.74547600 6.00792400 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=146) 0 18.92374800 -7.76253900 5.03076800 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=147) 0 20.48496900 -8.77377900 6.27378600 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=147) 0 21.08639100 -8.72562400 7.08795200 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=147) 0 20.59500700 -9.92224600 5.35849300 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=147) 0 20.77123200 -9.53470700 4.35435200 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=147) 0 21.79607800 -10.80543000 5.71040300 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=147) 0 21.87119100 -11.59538600 4.96197500 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=147) 0 22.70348800 -10.20455900 5.66947000 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=147) 0 21.68535300 -11.43905500 7.09787700 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=147) 0 21.91418400 -10.67791800 7.83389000 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=147) 0 20.67560000 -11.80100800 7.28056700 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=147) 0 22.63857300 -12.61102600 7.25640200 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=147) 0 22.15812200 -13.76636900 7.24082600 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=147) 0 23.85855200 -12.38184500 7.41732600 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=147) 0 19.32277400 -10.78111300 5.28175200 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=147) 0 19.09513600 -11.43608600 4.26511600 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=148) 0 18.48633200 -10.78984100 6.32666200 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=148) 0 18.74482100 -10.26319100 7.15390800 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=148) 0 17.22399200 -11.53951400 6.33225300 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=148) 0 17.35086600 -12.42594100 5.71176400 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=148) 0 16.89701100 -12.03268800 7.73812700 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=148) 0 17.79601800 -12.44422100 8.19833200 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=148) 0 16.52603100 -11.20526500 8.34526800 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=148) 0 15.92141400 -13.05308900 7.64322900 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=148) 0 16.39873300 -13.91527700 7.63345500 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=148) 0 16.06598200 -10.73192500 5.73856600 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=148) 0 15.09798600 -11.31034700 5.23493600 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=149) 0 16.16908200 -9.39936000 5.70891100 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=149) 0 16.92781800 -8.95640600 6.21908500 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=149) 0 15.33841000 -8.55843900 4.84743500 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=149) 0 14.29712200 -8.85554900 4.97612900 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=149) 0 15.46217300 -7.09432400 5.29812500 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=149) 0 15.25491700 -7.07249000 6.36937500 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=149) 0 16.48069000 -6.73286500 5.15467700 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=149) 0 14.46742500 -6.16084400 4.57972100 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=149) 0 13.55881100 -6.71142100 4.33514000 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=149) 0 14.08804700 -5.01503400 5.50899600 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=149) 0 14.95466600 -4.40081000 5.73319200 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=149) 0 13.32107400 -4.40952400 5.03177000 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=149) 0 13.67426700 -5.41323300 6.43498600 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=149) 0 15.04539400 -5.55113400 3.29944700 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=149) 0 15.25066600 -6.32310700 2.56264300 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=149) 0 14.32206600 -4.86216800 2.86475700 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=149) 0 15.96289300 -5.00689700 3.51869500 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=149) 0 15.70220400 -8.79314800 3.37538100 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=149) 0 14.81363600 -9.09493100 2.57825300 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=150) 0 16.99725200 -8.78785500 3.03752600 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=150) 0 17.67352800 -8.50698800 3.74329500 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=150) 0 17.49620100 -9.14333400 1.69395500 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=150) 0 17.03698000 -8.47047600 0.97737200 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=150) 0 19.02522900 -8.94726900 1.61180400 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=150) 0 19.49460700 -9.42114000 2.47180300 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=150) 0 19.65214800 -9.54183000 0.34487000 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=150) 0 19.10796800 -9.20018300 -0.53490600 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=150) 0 20.69720200 -9.24109700 0.26650100 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=150) 0 19.61690200 -10.63050500 0.38426500 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=150) 0 19.35459200 -7.45037600 1.63522500 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=150) 0 18.96101200 -6.99526700 2.54000600 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=150) 0 20.43530900 -7.30404000 1.62096400 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=150) 0 18.91268200 -6.95462300 0.77170300 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=150) 0 17.07970700 -10.55756300 1.27460200 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=150) 0 16.78999300 -10.79243600 0.10415800 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=151) 0 16.97112800 -11.49635600 2.21478000 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=151) 0 17.34955400 -11.29358100 3.13255400 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=151) 0 16.50427100 -12.85732700 1.93521500 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=151) 0 17.04944200 -13.21703100 1.06262800 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=151) 0 16.83552600 -13.75002500 3.14235500 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=151) 0 17.77726200 -13.42937400 3.56940000 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=151) 0 16.07418600 -13.61958800 3.90929800 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=151) 0 16.96389200 -15.23970500 2.80748800 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=151) 0 17.19641300 -15.78215500 3.72384800 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=151) 0 16.01158800 -15.61202800 2.42751600 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=151) 0 18.07600300 -15.49691600 1.78911100 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=151) 0 19.23285300 -15.07911500 2.02740600 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=151) 0 17.78398200 -16.08318100 0.71888700 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=151) 0 15.00230700 -12.94860500 1.61330400 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=151) 0 14.57809100 -13.90925300 0.96863500 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=152) 0 14.18286800 -11.98341600 2.04511100 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=152) 0 14.60206100 -11.18361700 2.50464400 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=152) 0 12.71188300 -12.11275400 2.06268600 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=152) 0 12.50328200 -13.12372700 2.40514000 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=152) 0 12.09742500 -11.20162500 3.12888200 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=152) 0 11.02722400 -11.40355800 3.19809500 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=152) 0 12.54693300 -11.44098700 4.09217600 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=152) 0 12.28674000 -9.82400000 2.86389300 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=152) 0 13.22503000 -9.64025100 2.64872000 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=152) 0 12.00707700 -11.98579900 0.69597600 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=152) 0 10.78897600 -12.16005200 0.60007900 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=153) 0 12.76713600 -11.73955700 -0.37081800 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=153) 0 13.76123900 -11.62834100 -0.21753800 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=153) 0 12.32802000 -11.68935300 -1.77179300 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=153) 0 11.58511600 -12.46015600 -1.96427800 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=153) 0 11.70319900 -10.31279200 -2.01481800 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=153) 0 10.73907400 -10.26151900 -1.50656000 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=153) 0 12.36973900 -9.57938900 -1.56653000 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=153) 0 11.53939700 -9.94629500 -3.37101700 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=153) 0 12.07989700 -9.13170700 -3.46276000 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=153) 0 13.53903900 -11.92552300 -2.68105000 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=153) 0 14.67527800 -11.68282400 -2.27091500 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=154) 0 13.34052900 -12.35654900 -3.92820900 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=154) 0 12.39278500 -12.55007100 -4.23707200 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=154) 0 14.43763900 -12.52146700 -4.90723500 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=154) 0 15.21790000 -13.12908100 -4.45473700 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=154) 0 13.93164700 -13.26249400 -6.14707500 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=154) 0 13.12269300 -12.69135800 -6.60193400 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=154) 0 14.74040400 -13.34736900 -6.87442800 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=154) 0 13.45345000 -14.67126100 -5.79035400 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=154) 0 14.31300100 -15.26805000 -5.48225700 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=154) 0 12.74650200 -14.64004300 -4.95981300 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=154) 0 12.76102500 -15.30798500 -6.98535000 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=154) 0 13.39555300 -16.11990000 -7.69802600 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=154) 0 11.56006900 -15.02127700 -7.20623200 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=154) 0 15.09381200 -11.19170300 -5.32244700 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=154) 0 16.14451500 -11.19091800 -5.96377600 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=155) 0 14.47340400 -10.07984300 -4.91926200 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=155) 0 13.59958500 -10.22926000 -4.43581500 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=155) 0 14.89214900 -8.68130700 -5.05904800 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=155) 0 15.96358700 -8.62455100 -5.24161500 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=155) 0 14.13092700 -8.03420100 -6.23057000 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=155) 0 13.06143000 -8.16503200 -6.06349100 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=155) 0 14.40210700 -6.53110400 -6.32749600 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=155) 0 15.46603400 -6.34788400 -6.47901400 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=155) 0 13.81640200 -6.13062400 -7.14793500 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=155) 0 14.07255900 -6.01772600 -5.42595000 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=155) 0 14.48318800 -8.68168400 -7.57779700 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=155) 0 14.25739600 -9.74688300 -7.55490900 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=155) 0 13.87300700 -8.24536700 -8.36667400 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=155) 0 15.54005800 -8.54621400 -7.80076500 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=155) 0 14.55023400 -7.93799200 -3.76170500 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=155) 0 13.43250300 -8.08720400 -3.26798800 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=156) 0 15.45597300 -7.11132200 -3.23787800 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=156) 0 16.34566900 -7.01929200 -3.72098300 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=156) 0 15.27158700 -6.27942900 -2.04040400 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=156) 0 14.22094900 -6.02109500 -1.92185400 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=156) 0 15.70051100 -7.09985600 -0.82105900 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=156) 0 16.75189400 -7.37000000 -0.92043500 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=156) 0 15.55651300 -6.51565100 0.08834700 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=156) 0 15.09901600 -8.00781900 -0.75377500 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=156) 0 16.07411700 -4.96481400 -2.13954600 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=156) 0 16.95882000 -4.84107400 -2.98516600 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=157) 0 15.81409200 -3.97550600 -1.27841500 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=157) 0 15.06030700 -4.09895400 -0.60416000 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=157) 0 16.57520500 -2.70557600 -1.25098600 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=157) 0 17.54870100 -2.86839000 -1.70917100 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=157) 0 15.85614100 -1.59185200 -2.05026600 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=157) 0 14.95220700 -1.30131600 -1.51594000 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=157) 0 16.75014200 -0.35856300 -2.21971200 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=157) 0 17.65354700 -0.62405800 -2.76832700 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=157) 0 16.21287600 0.41361800 -2.77038100 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=157) 0 17.02797900 0.04187300 -1.24780200 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=157) 0 15.46234900 -2.00455100 -3.47539800 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=157) 0 14.75667800 -2.82785200 -3.43640800 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=157) 0 14.97631400 -1.17296800 -3.98597600 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=157) 0 16.34259300 -2.31555200 -4.03582800 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=157) 0 16.82376200 -2.24970800 0.18939900 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=157) 0 15.92627100 -2.33368500 1.02178200 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=158) 0 18.01403700 -1.72418100 0.49872000 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=158) 0 18.72350200 -1.67282500 -0.22750400 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=158) 0 18.30243000 -1.06982800 1.78703500 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=158) 0 17.36320300 -0.95492700 2.31430200 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=158) 0 19.20472900 -1.93309200 2.70281500 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=158) 0 20.14496800 -2.12167600 2.18683200 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=158) 0 19.51093500 -1.18584800 4.02008300 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=158) 0 18.58750300 -0.96395000 4.55435100 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=158) 0 20.16753900 -1.77429400 4.65767300 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=158) 0 20.03776000 -0.25236100 3.82376600 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=158) 0 18.52150000 -3.28936900 3.00374600 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=158) 0 17.58985800 -3.10774200 3.54091100 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=158) 0 18.27653200 -3.78972800 2.06722400 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=158) 0 19.37230600 -4.27321000 3.81332600 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=158) 0 18.81293500 -5.19755800 3.94774200 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=158) 0 20.30186200 -4.48690200 3.28443700 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=158) 0 19.59455800 -3.87103200 4.79822200 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=158) 0 18.85577400 0.34241900 1.56432100 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=158) 0 19.76432800 0.54251900 0.75930700 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=159) 0 18.31046400 1.31838000 2.29036100 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=159) 0 17.54290600 1.06656700 2.90504200 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=159) 0 18.81228500 2.68852400 2.38220300 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=159) 0 19.37660600 2.93851800 1.48547700 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=159) 0 17.97938400 3.38390000 2.46049300 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=159) 0 19.70542300 2.87337100 3.60623600 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=159) 0 19.36398300 2.44165300 4.70577000 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=160) 0 20.84111200 3.52935900 3.41233700 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=160) 0 21.00983500 3.92296200 2.49282600 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=160) 0 21.90891900 3.71660300 4.38680500 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=160) 0 21.65400900 3.23775200 5.33263500 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=160) 0 23.19199200 3.06796400 3.84288300 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=160) 0 23.45056000 3.52469000 2.88590000 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=160) 0 24.01076700 3.27851100 4.52774300 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=160) 0 23.09621500 1.56772500 3.65149900 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=160) 0 22.55456600 1.04114400 2.46502300 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=160) 0 22.19689800 1.70486000 1.69126800 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=160) 0 22.46013900 -0.34850000 2.29024200 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=160) 0 22.00783400 -0.74089100 1.39606300 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=160) 0 22.92763300 -1.22145500 3.28492100 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=160) 0 22.85314800 -2.29110500 3.14621800 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=160) 0 23.47753200 -0.69676700 4.46565200 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=160) 0 23.83870900 -1.36258700 5.23003500 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=160) 0 23.55366900 0.69380900 4.65404600 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=160) 0 23.96771300 1.09158500 5.56751800 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=160) 0 22.06713600 5.21583400 4.62940000 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=160) 0 22.73493700 5.90894600 3.86212500 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=161) 0 21.41006600 5.71775900 5.67467800 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=161) 0 20.92309700 5.07636000 6.29377900 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=161) 0 21.33506200 7.14202700 5.98796400 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=161) 0 22.13302400 7.66993700 5.46949100 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=161) 0 20.00775200 7.72345200 5.49326600 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=161) 0 19.17795200 7.22095100 5.99340600 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=161) 0 19.98291800 8.77576700 5.77647800 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=161) 0 19.82997500 7.62377600 3.99348900 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=161) 0 20.58628200 8.45419000 3.14666700 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=161) 0 21.26492500 9.18012200 3.56922600 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=161) 0 20.49574800 8.31103900 1.75318500 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=161) 0 21.11282100 8.92075400 1.10720500 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=161) 0 19.62371600 7.35504100 1.20760000 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=161) 0 19.56333400 7.23554200 0.13950900 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=161) 0 18.85183000 6.53611700 2.04979300 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=161) 0 18.19240900 5.79533700 1.62581600 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=161) 0 18.96090500 6.66313400 3.44423200 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=161) 0 18.38968900 6.01537400 4.09290900 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=161) 0 21.50987200 7.36739400 7.48551700 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=161) 0 20.57867200 7.18441200 8.26945900 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=162) 0 22.71261700 7.78605100 7.88671000 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=162) 0 23.41559900 7.95641200 7.16659400 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=162) 0 23.04292100 8.11423300 9.27964900 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=162) 0 22.84730200 7.24640100 9.90814800 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=162) 0 24.54388300 8.42189900 9.34403100 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=162) 0 25.09736300 7.54442000 9.00344100 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=162) 0 24.76911200 9.25385500 8.67356800 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=162) 0 25.00355700 8.78219600 10.76103300 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=162) 0 24.51744100 9.71124400 11.05224600 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=162) 0 24.70369200 8.00125900 11.46174100 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=162) 0 26.52997200 8.94484500 10.80951100 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=162) 0 26.97415200 7.97145900 11.01711800 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=162) 0 26.90583700 9.27977500 9.84294100 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=162) 0 26.97709100 9.94806600 11.87655600 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=162) 0 26.59624200 9.63687600 12.85411700 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=162) 0 28.06946700 9.94038700 11.92377600 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=162) 0 26.50276500 11.31527100 11.55618800 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=162) 0 25.49371300 11.38774200 11.65864100 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=162) 0 26.89836000 12.00539200 12.18835400 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=162) 0 26.71794600 11.58019300 10.59714700 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=162) 0 22.16137500 9.24956100 9.81884800 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=162) 0 21.80673500 9.24090900 10.99667700 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=163) 0 21.74542500 10.17517400 8.95620200 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=163) 0 22.11337600 10.14179300 8.01178200 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=163) 0 20.70664600 11.16595300 9.22065000 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=163) 0 20.49086600 11.17730300 10.28922800 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=163) 0 21.22454800 12.55834000 8.84514400 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=163) 0 22.26549800 12.64990500 9.16189600 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=163) 0 21.18699200 12.71301400 7.76677500 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=163) 0 20.39736200 13.61219200 9.56607300 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=163) 0 19.17191600 13.70324700 9.34211200 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=163) 0 20.95825400 14.24589700 10.48919600 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=163) 0 19.40568200 10.80376400 8.48558000 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=163) 0 19.24206500 11.07128400 7.29341800 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=164) 0 18.46362000 10.18166900 9.19353000 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=164) 0 18.63176100 10.01565600 10.17550100 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=164) 0 17.21227300 9.67645600 8.60418500 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=164) 0 17.46897600 9.30827200 7.61528100 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=164) 0 16.71710000 8.43895500 9.37792700 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=164) 0 17.50891100 7.68970100 9.33504600 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=164) 0 16.45180600 8.74265500 10.84860900 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=164) 0 15.71844700 9.54414800 10.93737300 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=164) 0 16.07845100 7.84878200 11.34422600 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=164) 0 17.38015900 9.02965900 11.33417600 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=164) 0 15.46552300 7.80335900 8.77053000 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=164) 0 15.60214800 7.68462400 7.69830100 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=164) 0 15.29510400 6.82562200 9.22284400 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=164) 0 14.59701400 8.43215100 8.95466000 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=164) 0 16.14977500 10.76954700 8.37558700 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=164) 0 15.23073400 10.57800300 7.57944400 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=165) 0 16.29066100 11.95453900 8.97705700 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=165) 0 17.03726300 12.05619700 9.65608200 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=165) 0 15.49073000 13.15005200 8.64546200 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=165) 0 14.48156100 12.83420100 8.38436100 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=165) 0 15.37903700 14.08703300 9.86551500 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=165) 0 16.26492200 14.00868800 10.49283500 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=165) 0 15.32648800 15.11954700 9.51803100 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=165) 0 14.11865800 13.84082100 10.70414000 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=165) 0 14.06918300 14.60510400 11.48252200 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=165) 0 13.24322600 13.96661900 10.06539800 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=165) 0 14.07443400 12.45665700 11.35361000 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=165) 0 14.44551300 12.33314500 12.54511800 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=165) 0 13.59731400 11.49723100 10.70460200 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=165) 0 16.00207200 13.91643300 7.40877200 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=165) 0 15.29546000 14.79937000 6.90413400 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=166) 0 17.19259300 13.59316200 6.89333900 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=166) 0 17.74872500 12.90212600 7.38280300 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=166) 0 17.76016300 14.22235700 5.69193000 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=166) 0 17.77127700 15.29894700 5.86228100 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=166) 0 19.21403100 13.78662800 5.47596600 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=166) 0 19.65578900 14.40904600 4.69659300 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=166) 0 19.77885800 13.93807100 6.39645600 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=166) 0 19.30353100 12.43123100 5.07515400 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=166) 0 19.20090200 11.88036900 5.88688200 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=166) 0 16.93724800 13.96781400 4.42093400 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=166) 0 16.19888000 12.98356800 4.32041700 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=167) 0 17.08700900 14.86092200 3.43489800 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=167) 0 17.64536400 15.68713300 3.61335300 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=167) 0 16.38521900 14.83893800 2.14326200 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=167) 0 15.35752800 15.17707300 2.27878200 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=167) 0 17.09959800 15.78257200 1.15756400 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=167) 0 18.16294100 15.53829800 1.11784200 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=167) 0 16.68262600 15.61758500 0.16216000 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=167) 0 16.94717200 17.25858000 1.50960300 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=167) 0 17.19215400 17.63312000 2.68017200 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=167) 0 16.54406500 18.03805000 0.62107000 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=167) 0 16.34897500 13.44009500 1.52426400 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=167) 0 15.27645700 12.90625000 1.24752400 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=168) 0 17.52857600 12.83967100 1.36585300 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=168) 0 18.35152700 13.36830200 1.61587700 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=168) 0 17.75229000 11.55116100 0.71277500 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=168) 0 17.32782200 11.57698700 -0.29004800 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=168) 0 19.25774700 11.34542000 0.59129600 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=168) 0 19.71887800 11.37116400 1.58069500 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=168) 0 19.46022200 10.37673000 0.13653000 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=168) 0 19.79627600 12.37842900 -0.21365700 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=168) 0 20.75158700 12.16521800 -0.31596300 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=168) 0 17.13831100 10.36930500 1.46020400 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=168) 0 16.62792600 9.44512900 0.83037200 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=169) 0 17.11893800 10.40885300 2.79269900 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=169) 0 17.49411000 11.22096100 3.26592600 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=169) 0 16.50767000 9.36281800 3.60477900 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=169) 0 16.86675000 8.38975600 3.26881800 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=169) 0 16.95191600 9.58454700 5.04494300 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=169) 0 16.57204900 10.53871400 5.40864500 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=169) 0 16.57078300 8.77493400 5.66584300 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=169) 0 18.03638300 9.61010600 5.09762700 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=169) 0 14.97700300 9.37194300 3.48949600 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=169) 0 14.34588600 8.32450000 3.32879100 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=170) 0 14.37488400 10.56605400 3.50143300 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=170) 0 14.95610100 11.38825800 3.65381000 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=170) 0 12.92904900 10.74813000 3.32041500 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=170) 0 12.40810600 9.97489500 3.88077300 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=170) 0 12.52979000 12.10905100 3.90611800 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=170) 0 13.18210700 12.86978300 3.47722300 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=170) 0 11.51030700 12.34669800 3.61415400 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=170) 0 12.62309700 12.16749600 5.44635400 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=170) 0 13.59701100 11.80283300 5.77260300 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=170) 0 12.54129100 13.21054200 5.74831200 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=170) 0 11.50338700 11.39059700 6.16365400 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=170) 0 10.54444500 11.79659300 5.83668900 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=170) 0 11.53157000 10.33510700 5.89979400 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=170) 0 11.59764300 11.55434900 7.68856600 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=170) 0 11.86118400 12.59309400 7.90699900 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=170) 0 10.61692100 11.37170900 8.13666900 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=170) 0 12.59157500 10.64697900 8.30797400 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=170) 0 13.46538000 10.61194100 7.79186000 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=170) 0 12.84656900 10.98042900 9.23881000 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=170) 0 12.24337800 9.70251100 8.44973900 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=170) 0 12.49230200 10.55101800 1.86082500 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=170) 0 11.41225500 10.00615500 1.63826100 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=171) 0 13.34927300 10.86023700 0.88376800 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=171) 0 14.18084000 11.38302200 1.13700400 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=171) 0 13.19271200 10.45968200 -0.52475400 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=171) 0 12.24003500 10.82543500 -0.90875600 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=171) 0 14.33969200 11.04862600 -1.35943200 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=171) 0 15.27476300 10.89710100 -0.82721500 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=171) 0 14.41882400 10.50182600 -2.29874300 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=171) 0 14.18916200 12.54304200 -1.66598900 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=171) 0 13.80885600 13.06884600 -0.79815200 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=171) 0 15.17651200 12.94493900 -1.88874800 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=171) 0 13.27292400 12.83711500 -2.84332100 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=171) 0 12.41504500 12.05567900 -3.23403500 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=171) 0 13.45592000 13.95394100 -3.49314600 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=171) 0 12.81994000 14.18563600 -4.24531300 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=171) 0 14.15292800 14.61744600 -3.16383700 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=171) 0 13.21472900 8.93586700 -0.69456300 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=171) 0 12.40121800 8.37747100 -1.42890300 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=172) 0 14.12088200 8.24936800 0.00534200 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=172) 0 14.82701600 8.75922200 0.52650400 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=172) 0 14.20649500 6.79296000 -0.01359400 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=172) 0 14.20374100 6.46401200 -1.04629500 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=172) 0 15.52934500 6.35762100 0.62013300 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=172) 0 16.35434100 6.67260100 -0.02034300 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=172) 0 15.65185700 6.85008200 1.58456500 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=172) 0 15.59736100 4.86398100 0.82125300 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=172) 0 15.79257500 4.01208500 -0.27864400 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=172) 0 15.94456300 4.42387900 -1.26298800 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=172) 0 15.75653700 2.62125700 -0.10323400 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=172) 0 15.88419200 1.97110900 -0.95246700 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=172) 0 15.52019800 2.07999300 1.17014400 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=172) 0 15.48757900 1.00735900 1.30717400 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=172) 0 15.30729000 2.93291200 2.26433500 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=172) 0 15.10703800 2.51724600 3.23607400 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=172) 0 15.35053300 4.32385300 2.09371100 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=172) 0 15.16643400 4.97849600 2.93167200 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=172) 0 12.98707100 6.12396600 0.63215500 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=172) 0 12.42857200 5.19269700 0.05091700 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=173) 0 12.49919400 6.65290300 1.75870000 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=173) 0 13.03671100 7.37740000 2.22432800 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=173) 0 11.19214400 6.27761000 2.30557800 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=173) 0 11.19894200 5.20825200 2.51969300 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=173) 0 10.94372900 7.05285900 3.61346700 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=173) 0 11.29698800 8.07460800 3.48974400 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=173) 0 9.87167000 7.10195100 3.81219000 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=173) 0 11.64422100 6.39983800 4.82015200 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=173) 0 12.61156600 6.00421500 4.51195600 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=173) 0 11.87846900 7.41427100 5.93850200 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=173) 0 10.93133700 7.85684000 6.24657600 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=173) 0 12.34036400 6.91658100 6.79199600 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=173) 0 12.55827700 8.18781300 5.58378100 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=173) 0 10.79249200 5.25741400 5.37915100 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=173) 0 10.57790000 4.53195500 4.59721600 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=173) 0 11.33003400 4.76285300 6.18886400 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=173) 0 9.85075200 5.64734100 5.76534800 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=173) 0 10.07660600 6.50399900 1.27220300 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=173) 0 9.27930200 5.60199700 1.04256300 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=174) 0 10.06648800 7.63473900 0.56167400 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=174) 0 10.73158100 8.36263100 0.79674100 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=174) 0 9.09685800 7.89650700 -0.50847500 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=174) 0 8.10723600 7.73019900 -0.08352100 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=174) 0 9.20085500 9.37090400 -0.95134800 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=174) 0 10.18245500 9.76955700 -0.70181100 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=174) 0 9.09500300 9.44378100 -2.03021000 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=174) 0 8.12468200 10.25298600 -0.30313100 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=174) 0 8.12755300 10.10378100 0.77644800 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=174) 0 8.35476900 11.29912300 -0.50253100 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=174) 0 6.73698400 9.94222500 -0.85278400 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=174) 0 6.00274700 9.10855500 -0.33846100 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=174) 0 6.32939400 10.52621500 -1.95519900 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=174) 0 5.38918000 10.33641400 -2.28680200 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=174) 0 6.90287800 11.21753300 -2.43278700 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=174) 0 9.19230800 6.92590900 -1.70544100 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=174) 0 8.17222500 6.68781300 -2.35551000 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=175) 0 10.35267900 6.32189300 -1.98222100 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=175) 0 11.17291400 6.60077300 -1.45716800 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=175) 0 10.48679400 5.23804800 -2.96269900 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=175) 0 9.89906700 5.48416100 -3.84709500 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=175) 0 11.95273800 5.12526100 -3.38861900 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=175) 0 12.55995200 4.77697500 -2.55345700 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=175) 0 12.03747000 4.41380100 -4.21100200 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=175) 0 12.31781400 6.09591400 -3.71653000 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=175) 0 9.95397400 3.89703100 -2.42872800 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=175) 0 9.17595800 3.22956000 -3.11179800 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=176) 0 10.30886000 3.53565900 -1.19139400 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=176) 0 10.95692900 4.12775700 -0.68214700 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=176) 0 9.80169400 2.33762300 -0.51979800 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=176) 0 10.10649600 1.45511700 -1.08001100 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=176) 0 10.41774400 2.28852600 0.88389100 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=176) 0 10.06871200 3.12840100 1.48360500 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=176) 0 10.12347900 1.36061800 1.37078400 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=176) 0 11.50424400 2.33356100 0.81680900 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=176) 0 8.26733600 2.33809000 -0.44557400 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=176) 0 7.60238800 1.35923700 -0.76967300 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=177) 0 7.69463400 3.48690500 -0.09228900 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=177) 0 8.31158600 4.24723000 0.18210700 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=177) 0 6.25450000 3.71621500 0.02164200 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=177) 0 5.82142100 2.88405800 0.57530900 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=177) 0 6.05829700 5.01325700 0.83400900 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=177) 0 6.64429100 5.80252300 0.36125800 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=177) 0 5.02718900 5.34471000 0.79093700 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=177) 0 6.48779100 4.90534300 2.31525800 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=177) 0 7.51192000 4.54239000 2.37996600 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=177) 0 6.46953300 5.91101000 2.74029800 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=177) 0 5.62982000 3.99550100 3.20180300 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=177) 0 4.71256300 3.28744900 2.72906200 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=177) 0 5.84173000 3.97702000 4.43623200 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=177) 0 5.51558900 3.73189700 -1.33835400 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=177) 0 4.28960500 3.86991300 -1.36602100 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=178) 0 6.22838800 3.56336100 -2.46051800 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=178) 0 7.23302900 3.47295600 -2.36543900 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=178) 0 5.67450700 3.40087700 -3.80922100 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=178) 0 4.60483700 3.61582400 -3.78740700 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=178) 0 6.33450900 4.44702000 -4.71219800 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=178) 0 7.41519100 4.30798700 -4.72652100 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=178) 0 5.95313000 4.35596700 -5.72949000 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=178) 0 6.09928500 5.43832000 -4.33098300 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=178) 0 5.82263800 1.97049600 -4.37816100 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=178) 0 5.01934300 1.56859600 -5.23007700 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=179) 0 6.78127200 1.16992600 -3.89193200 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=179) 0 7.39710300 1.54150700 -3.17680800 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=179) 0 6.97393700 -0.24339900 -4.27137600 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=179) 0 6.10639300 -0.57473200 -4.83832500 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=179) 0 8.19541000 -0.43733300 -5.21070400 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=179) 0 9.09941600 -0.15803400 -4.67078800 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=179) 0 8.31764200 -1.90544300 -5.66930900 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=179) 0 7.53215100 -2.13897500 -6.38459800 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=179) 0 9.28169900 -2.06857100 -6.14315200 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=179) 0 8.25155700 -2.59818000 -4.83609500 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=179) 0 8.08668900 0.45901400 -6.46831100 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=179) 0 7.12438400 0.28934800 -6.95141900 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=179) 0 8.12698000 1.50249100 -6.15900200 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=179) 0 9.19088900 0.23823600 -7.51373100 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=179) 0 9.11808600 -0.75506900 -7.95426900 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=179) 0 9.07661400 0.95710400 -8.32058200 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=179) 0 10.16779600 0.37013600 -7.05150300 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=179) 0 6.99411600 -1.12461600 -3.01078900 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=179) 0 8.01816000 -1.65466600 -2.59519500 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=180) 0 5.81278000 -1.33989300 -2.43172300 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=180) 0 5.00528400 -0.85395000 -2.80327800 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=180) 0 5.57921600 -2.34423500 -1.38157900 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=180) 0 6.29271400 -2.18190300 -0.57095100 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=180) 0 4.16013200 -2.09778200 -0.85198500 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=180) 0 4.12276800 -1.07367300 -0.48380000 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=180) 0 3.44858200 -2.17406700 -1.67351000 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=180) 0 3.71629300 -3.03962800 0.26746800 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=180) 0 4.04931000 -2.76746500 1.44314100 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=180) 0 2.94484300 -3.98259400 -0.01915100 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=180) 0 5.77732200 -3.78928200 -1.89540700 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=180) 0 5.87826500 -4.73430800 -1.11367100 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=181) 0 5.86020400 -3.96750000 -3.21713500 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=181) 0 5.74108500 -3.14463400 -3.79663800 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=181) 0 6.13341000 -5.22064800 -3.92845700 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=181) 0 5.68323900 -6.01792500 -3.35542000 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=181) 0 5.38881400 -5.25832500 -5.27906900 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=181) 0 5.72696400 -6.12453800 -5.84895900 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=181) 0 4.33069500 -5.41946000 -5.06762900 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=181) 0 5.48550700 -3.99989200 -6.14929800 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=181) 0 5.12329200 -2.89306700 -5.67805300 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=181) 0 5.79350300 -4.13261600 -7.35646800 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=181) 0 7.62428400 -5.61689500 -3.96136900 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=181) 0 7.99846300 -6.61524500 -4.58329700 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=182) 0 8.46774700 -4.89589400 -3.21951300 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=182) 0 8.08760200 -4.09377200 -2.72606800 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=182) 0 9.84987400 -5.24815600 -2.87080100 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=182) 0 10.02981500 -6.29390100 -3.10768200 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=182) 0 10.83205700 -4.38282200 -3.70177300 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=182) 0 10.57973700 -3.33588300 -3.54390700 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=182) 0 12.28410100 -4.59645800 -3.25247100 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=182) 0 12.54363300 -5.64776900 -3.35279300 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=182) 0 12.95799500 -4.00167400 -3.85991800 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=182) 0 12.41565500 -4.27126600 -2.22203800 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=182) 0 10.71183500 -4.68796400 -5.21382900 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=182) 0 10.96791900 -5.73391500 -5.38041300 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=182) 0 9.67987700 -4.54406700 -5.52913700 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=182) 0 11.58190600 -3.80848100 -6.12725900 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=182) 0 12.62834500 -4.10034500 -6.05855400 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=182) 0 11.25880000 -3.93215900 -7.16123700 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=182) 0 11.48194100 -2.76003400 -5.84654400 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=182) 0 10.02257200 -5.03589600 -1.34885800 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=182) 0 9.46833700 -4.07165600 -0.82010000 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=183) 0 10.79834300 -5.86001600 -0.61458500 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=183) 0 11.27390900 -7.18535600 -0.93997100 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=183) 0 12.28442700 -7.11180900 -1.33599700 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=183) 0 10.61998600 -7.69881200 -1.63826300 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=183) 0 11.30102000 -7.92090000 0.39839700 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=183) 0 11.99260800 -8.76076800 0.39372200 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=183) 0 10.29569200 -8.24825000 0.66633800 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=183) 0 11.76747800 -6.83535700 1.36044400 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=183) 0 12.85819700 -6.80993700 1.36539400 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=183) 0 11.39322600 -7.00937900 2.36927300 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=183) 0 11.18667500 -5.54928400 0.75544200 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=183) 0 10.29770700 -5.26651100 1.31988600 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=183) 0 12.19891000 -4.40350500 0.75590200 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=183) 0 13.31494600 -4.53897700 0.24164100 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=184) 0 11.81031500 -3.28171900 1.35235600 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=184) 0 10.88264000 -3.25974100 1.75814200 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=184) 0 12.69683200 -2.15372500 1.61562500 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=184) 0 13.58935500 -2.24944100 1.00479200 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=184) 0 12.02779300 -0.82987000 1.22826000 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=184) 0 10.99361500 -0.84360900 1.56700300 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=184) 0 12.53103300 -0.02390500 1.76362600 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=184) 0 12.04439000 -0.48671800 -0.25009100 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=184) 0 11.14453200 -1.10166900 -1.13530200 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=184) 0 10.45626900 -1.85119400 -0.77718400 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=184) 0 11.09252400 -0.69816000 -2.47904700 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=184) 0 10.38091200 -1.15883400 -3.14353500 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=184) 0 11.91601500 0.33831200 -2.94246100 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=184) 0 11.81639400 0.68257900 -3.95881900 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=184) 0 12.82952500 0.94851000 -2.06884400 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=184) 0 13.45454700 1.75864300 -2.41485500 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=184) 0 12.89106100 0.53056900 -0.72838500 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=184) 0 13.55094000 1.03280400 -0.04695900 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=184) 0 13.11656100 -2.15580200 3.08821600 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=184) 0 12.29245700 -2.37720800 3.97404000 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=185) 0 14.38244200 -1.84692200 3.35945600 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=185) 0 15.01803000 -1.74813100 2.57375600 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=185) 0 14.90909000 -1.57660100 4.69792400 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=185) 0 14.10092100 -1.60956400 5.42295100 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=185) 0 15.63584700 -2.34080000 4.96374700 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=185) 0 15.59569700 -0.21416400 4.77794500 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=185) 0 16.07008600 0.29459300 3.76705300 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=186) 0 15.68617300 0.38415400 5.96293900 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=186) 0 15.25917700 -0.07133100 6.76621900 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=186) 0 16.45320000 1.61643600 6.20580800 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=186) 0 17.12186700 1.76560700 5.36069600 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=186) 0 15.52780600 2.85283400 6.27717100 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=186) 0 14.88661000 2.82541400 5.40068800 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=186) 0 14.60518100 2.83578900 7.50754400 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=186) 0 15.17894100 2.97938500 8.42374700 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=186) 0 13.86489500 3.63073100 7.42995400 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=186) 0 14.07100300 1.88777800 7.56452700 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=186) 0 16.35146200 4.15542600 6.18279800 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=186) 0 16.94240400 4.29009200 7.08968900 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=186) 0 17.03541500 4.07822900 5.33643500 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=186) 0 15.48779700 5.40387700 5.97104000 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=186) 0 14.88636300 5.60074200 6.85725700 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=186) 0 16.13355500 6.26120500 5.78089500 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=186) 0 14.82586700 5.26191200 5.11935100 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=186) 0 17.33375000 1.46324200 7.44441000 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=186) 0 16.91640700 0.85764500 8.42810800 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=187) 0 18.55093000 2.00112300 7.41417300 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=187) 0 18.87576800 2.43241600 6.55281800 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=187) 0 19.47035400 1.97073100 8.55564200 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=187) 0 18.88184600 1.81158900 9.45697000 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=187) 0 20.44868100 0.79252200 8.44451000 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=187) 0 19.87384500 -0.11513100 8.27181700 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=187) 0 21.46980100 0.91630500 7.31363200 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=187) 0 22.22139700 1.66635600 7.55840100 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=187) 0 21.95299800 -0.04367900 7.15649400 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=187) 0 20.96930100 1.19015700 6.38676400 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=187) 0 21.13941900 0.65070700 9.66398000 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=187) 0 20.53628400 0.16235600 10.25326400 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=187) 0 20.21661500 3.28680400 8.73644600 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=187) 0 20.68556900 3.88448300 7.76600900 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=188) 0 20.36896800 3.70263900 9.99458700 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=188) 0 19.89481400 3.18333300 10.72774800 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=188) 0 21.23390600 4.81217700 10.41026500 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=188) 0 21.64891400 5.27028000 9.51487200 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=188) 0 20.41731000 5.90459000 11.11636600 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=188) 0 21.06603700 6.75400400 11.32868300 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=188) 0 19.62027000 6.24172400 10.45218000 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=188) 0 19.83948800 5.45461900 12.33046500 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=188) 0 19.45734600 6.25991900 12.76368800 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=188) 0 22.45165100 4.35526700 11.22660100 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=188) 0 23.14734100 5.18856200 11.80717100 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=189) 0 22.73127600 3.04453500 11.28743000 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=189) 0 22.14736800 2.39992900 10.76801900 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=189) 0 23.87932400 2.49228000 12.01148800 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=189) 0 24.28229700 3.26253100 12.67230000 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=189) 0 23.42881800 1.32956200 12.91387200 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=189) 0 22.67418500 1.68640500 13.61028200 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=189) 0 22.99345600 0.53750100 12.30721400 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=189) 0 24.58811200 0.76968700 13.72291800 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=189) 0 25.63388700 1.38626400 13.85244600 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=189) 0 24.48024000 -0.41719300 14.26248700 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=189) 0 25.32813700 -0.78328700 14.70059300 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=189) 0 23.66328400 -0.99429400 14.09981500 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=189) 0 25.01033600 2.07938200 11.05492300 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=189) 0 24.82398900 1.23651500 10.17337000 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=190) 0 26.21504100 2.61489000 11.26626000 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=190) 0 26.35414000 3.21405400 12.06801600 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=190) 0 27.36665100 2.34529100 10.40388600 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=190) 0 27.01188400 2.44930500 9.38262700 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=190) 0 28.44960300 3.40657700 10.57706800 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=190) 0 29.24101600 3.21741500 9.85178400 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=190) 0 28.02953900 4.39409500 10.37960500 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=190) 0 28.99301100 3.37949200 11.87944600 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=190) 0 29.94675400 3.57809500 11.77387300 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=190) 0 27.93984300 0.92389300 10.51552800 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=190) 0 28.67286300 0.50979500 9.61749600 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=191) 0 27.54535300 0.11147500 11.50506300 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=191) 0 27.00791900 0.50375300 12.27005700 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=191) 0 27.78081800 -1.34605500 11.46302300 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=191) 0 28.85228300 -1.54843200 11.46761300 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=191) 0 27.13089200 -2.03867800 12.66998700 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=191) 0 26.08170200 -1.75281700 12.71721100 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=191) 0 27.15143600 -3.11635900 12.51427100 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=191) 0 27.81908500 -1.75494000 14.00111200 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=191) 0 29.00784100 -2.12113500 14.16539900 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=191) 0 27.14363500 -1.21972000 14.90863500 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=191) 0 27.17267100 -1.97421800 10.19565600 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=191) 0 27.78704800 -2.81278300 9.53024800 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=192) 0 25.96090800 -1.54216000 9.83581500 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=192) 0 25.53556600 -0.80164800 10.38235000 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=192) 0 25.19358600 -2.09188200 8.71121700 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=192) 0 25.32104400 -3.17485100 8.71045500 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=192) 0 23.68905300 -1.79139800 8.86704100 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=192) 0 23.50783800 -0.75294600 8.59900600 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=192) 0 22.85333300 -2.70893100 7.96627900 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=192) 0 22.97937900 -3.74617300 8.27393900 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=192) 0 21.79927300 -2.44072900 8.04557500 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=192) 0 23.15853700 -2.60911400 6.92795100 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=192) 0 23.20165800 -2.01252800 10.30482200 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=192) 0 23.59597100 -1.23647500 10.95734300 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=192) 0 22.11309000 -1.96577300 10.34705100 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=192) 0 23.54218300 -2.98220600 10.65769800 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=192) 0 25.74244100 -1.56518500 7.38478900 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=192) 0 25.87368300 -2.33087800 6.43447500 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=193) 0 26.17148500 -0.29684000 7.34434500 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=193) 0 26.03271100 0.26843600 8.17035400 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=193) 0 26.97323700 0.25574500 6.24215800 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=193) 0 26.39635400 0.25512900 5.31655500 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=193) 0 27.41667400 1.69041900 6.57451000 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=193) 0 27.84805500 1.70688200 7.56899100 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=193) 0 28.24284600 1.91862300 5.91283500 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=193) 0 26.43378000 2.84453400 6.46748200 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=193) 0 26.78812700 3.96236500 5.68506700 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=193) 0 27.69145000 3.94957400 5.08920900 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=193) 0 25.99746500 5.12210700 5.70557900 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=193) 0 26.28485000 5.98612900 5.12459400 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=193) 0 24.83333600 5.16494100 6.48671700 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=193) 0 24.22878000 6.05919500 6.48696100 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=193) 0 24.45178400 4.04434400 7.24421800 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=193) 0 23.54565500 4.07473900 7.83495500 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=193) 0 25.25512500 2.88924900 7.23979400 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=193) 0 24.96319900 2.04663500 7.84396300 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=193) 0 28.24945400 -0.57850900 6.01152200 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=193) 0 28.55452800 -0.96611100 4.88174500 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=194) 0 28.98129300 -0.88394100 7.09090600 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=194) 0 28.67122600 -0.52440900 7.98571500 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=194) 0 30.27078400 -1.58865000 7.04050300 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=194) 0 30.94812500 -1.04011500 6.38399600 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=194) 0 30.91565300 -1.67512900 8.42723500 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=194) 0 30.30192700 -2.31117700 9.06621900 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=194) 0 31.90047200 -2.13556200 8.32839800 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=194) 0 31.06556800 -0.40530100 9.04298300 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=194) 0 30.16694100 -0.06703200 9.25247700 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=194) 0 30.13641200 -3.01033500 6.49369000 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=194) 0 31.01430300 -3.46346000 5.76028100 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=195) 0 29.02382000 -3.70866400 6.77136500 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=195) 0 28.34831900 -3.29838300 7.40849000 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=195) 0 28.74443700 -5.04237300 6.20252400 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=195) 0 29.55510300 -5.71312700 6.49223500 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=195) 0 27.43231100 -5.58582800 6.79863800 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=195) 0 27.51413200 -5.57372100 7.88719600 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=195) 0 26.59813900 -4.94649100 6.50523500 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=195) 0 27.15353800 -7.02578500 6.33522800 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=195) 0 26.89101100 -7.02158300 5.27699800 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=195) 0 28.05569300 -7.62473700 6.47073600 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=195) 0 26.01339500 -7.67898300 7.11977200 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=195) 0 26.28797300 -7.72210100 8.17567600 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=195) 0 25.10082700 -7.09117100 7.00393000 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=195) 0 25.78289800 -9.09785800 6.58896200 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=195) 0 25.38223700 -9.03917200 5.57242800 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=195) 0 26.73969300 -9.62534500 6.54721100 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=195) 0 24.85095200 -9.83980400 7.46056300 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=195) 0 23.96108300 -9.36169000 7.55355200 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=195) 0 24.67204600 -10.78873400 7.13398400 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=195) 0 25.21585000 -9.93587200 8.40673900 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=195) 0 28.72344800 -5.04169200 4.66562000 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=195) 0 29.03974000 -6.05848200 4.04919000 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=196) 0 28.42810100 -3.89691700 4.04733800 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=196) 0 28.18668600 -3.10113500 4.62404100 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=196) 0 28.36269100 -3.72213800 2.59380700 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=196) 0 28.60916000 -4.67584000 2.12752600 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=196) 0 26.91040500 -3.41157400 2.19360200 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=196) 0 26.63237700 -2.43273100 2.58798200 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=196) 0 26.83406600 -3.37022300 1.10681800 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=196) 0 25.93941200 -4.46516700 2.70568300 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=196) 0 25.98668200 -5.77436900 2.18701400 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=196) 0 26.66935300 -6.01502200 1.38359200 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=196) 0 25.18210500 -6.78686800 2.74498600 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=196) 0 25.24082000 -7.79437200 2.36243300 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=196) 0 24.32037300 -6.49411200 3.82436500 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=196) 0 23.58545400 -7.48063900 4.40334900 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=196) 0 23.74672000 -8.34216000 3.97164400 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=196) 0 24.25941400 -5.17903100 4.33120300 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=196) 0 23.60825600 -4.96137300 5.16348100 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=196) 0 25.07071900 -4.17052000 3.77432300 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=196) 0 25.05493500 -3.17448800 4.19275200 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=196) 0 29.41874600 -2.74266000 2.04649200 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=196) 0 29.27717000 -2.26179400 0.92013800 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=197) 0 30.50968400 -2.51158000 2.79133700 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=197) 0 30.56406400 -2.96114100 3.69818100 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=197) 0 31.65022800 -1.65763600 2.41161500 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=197) 0 32.32391000 -1.65110600 3.26865900 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=197) 0 32.43428400 -2.26969000 1.22675700 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=197) 0 31.79399700 -2.30612000 0.34557700 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=197) 0 33.27309900 -1.61772300 0.98258000 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=197) 0 32.99375700 -3.67555000 1.48201200 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=197) 0 32.18040500 -4.36309000 1.70525500 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=197) 0 33.48803800 -4.01967100 0.57638500 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=197) 0 34.00397300 -3.69973300 2.61935400 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=197) 0 33.82144200 -4.35472400 3.63543900 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=197) 0 35.09582300 -2.98625900 2.51301000 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=197) 0 35.75607600 -2.99953900 3.27759200 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=197) 0 35.30393300 -2.48968000 1.65297300 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=197) 0 31.30400200 -0.17205100 2.18141500 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=197) 0 31.95349700 0.50009200 1.37886500 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=198) 0 30.27727700 0.36189700 2.84970900 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=198) 0 29.77498400 -0.20871800 3.52044500 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=198) 0 29.82648000 1.73942200 2.63022100 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=198) 0 30.10861700 2.03939200 1.62156300 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=198) 0 28.29065400 1.81717500 2.69101500 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=198) 0 27.97573600 1.63232200 3.71424500 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=198) 0 27.99039900 2.83284900 2.42904100 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=198) 0 27.53777900 0.82692000 1.78300300 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=198) 0 27.75603900 -0.19206400 2.09999900 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=198) 0 26.04001400 1.05621400 1.95176900 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=198) 0 25.76316700 2.04613300 1.58776100 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=198) 0 25.48579600 0.29801400 1.40406700 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=198) 0 25.77905600 0.97470200 3.00468300 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=198) 0 27.88889800 0.96651600 0.30063500 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=198) 0 28.93349600 0.70257000 0.13910900 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=198) 0 27.26466900 0.29866500 -0.29191600 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=198) 0 27.72076900 1.99180800 -0.02645100 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=198) 0 30.50441300 2.72451700 3.59823000 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=198) 0 30.23711100 2.72571800 4.79890700 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=199) 0 31.34087500 3.61858000 3.07281300 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=199) 0 31.55349500 3.54644900 2.08567100 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=199) 0 31.87895400 4.77471300 3.81056900 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=199) 0 32.08353700 4.47366900 4.83951400 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=199) 0 33.20795300 5.21177800 3.17385400 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=199) 0 33.73744200 5.84845800 3.88434000 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=199) 0 33.82897100 4.33445300 2.98881500 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=199) 0 33.01222100 5.98467500 1.86526900 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=199) 0 32.55233600 5.37706000 0.86836100 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=199) 0 33.31906700 7.19918100 1.82484100 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=199) 0 30.89923600 5.96415600 3.85026500 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=199) 0 31.03813500 6.87057500 4.67366000 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=200) 0 29.92455500 5.96922100 2.93739100 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=200) 0 29.86917100 5.15216800 2.34035100 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=200) 0 29.10115200 7.11572800 2.53874500 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=200) 0 29.23938800 7.94212000 3.23737500 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=200) 0 29.59937200 7.53745500 1.14395500 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=200) 0 30.65538400 7.79835400 1.21804000 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=200) 0 29.52451700 6.66970700 0.49391700 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=200) 0 28.86977400 8.71331200 0.47724600 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=200) 0 27.79383700 8.60262800 0.56962600 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=200) 0 29.15636800 9.63633600 0.98207500 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=200) 0 29.22203400 8.81941500 -1.01719500 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=200) 0 28.79683000 9.73791700 -1.41004300 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=200) 0 30.30262800 8.89938700 -1.12228700 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=200) 0 28.73309900 7.64603900 -1.88339000 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=200) 0 29.09837800 7.79836000 -2.90372000 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=200) 0 29.17482200 6.71358800 -1.52123800 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=200) 0 27.25432000 7.54083300 -1.90132500 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=200) 0 26.84331200 8.42418300 -2.19512400 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=200) 0 26.95626600 6.81003800 -2.54300800 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=200) 0 26.88015100 7.32644800 -0.98091600 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=200) 0 27.62476900 6.72431700 2.52303600 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=200) 0 27.28917600 5.58981000 2.18167000 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=201) 0 26.74518200 7.66844700 2.83918200 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=201) 0 27.08374800 8.56918400 3.14651900 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=201) 0 25.29378200 7.48743800 2.74352500 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=201) 0 25.01495400 6.63610700 3.36385100 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=201) 0 24.58747100 8.72944700 3.29742000 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=201) 0 24.81872300 9.58306600 2.65803600 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=201) 0 23.51048400 8.56913400 3.26560000 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=201) 0 25.00458800 9.05283800 4.73211400 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=201) 0 24.31174100 8.64280200 5.68828900 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=201) 0 25.99076900 9.80358600 4.91434900 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=201) 0 24.82504200 7.18723500 1.30369600 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=201) 0 25.44163500 7.61222300 0.31584300 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=202) 0 23.72109000 6.45469000 1.16311400 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=202) 0 23.21850700 6.16441100 2.00106400 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=202) 0 23.19353200 6.03436400 -0.13560900 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=202) 0 22.70149300 6.87673700 -0.61815200 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=202) 0 24.01925500 5.70653700 -0.76804700 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=202) 0 22.17722000 4.90339600 -0.04182200 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=202) 0 21.54085600 4.69782400 0.98548800 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=203) 0 22.00694300 4.16154600 -1.13408800 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=203) 0 22.59987100 4.33166600 -1.93331800 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=203) 0 21.05255200 3.04719700 -1.23522700 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=203) 0 20.79400300 2.70381300 -0.23453600 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=203) 0 19.74978700 3.49023200 -1.94058600 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=203) 0 19.97163200 3.77761400 -2.96445900 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=203) 0 18.70375600 2.37418600 -1.97862800 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=203) 0 18.47961100 2.04327300 -0.96549400 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=203) 0 17.78999100 2.73621000 -2.44370500 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=203) 0 19.06482300 1.53431400 -2.56924100 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=203) 0 19.11291400 4.70086700 -1.24822500 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=203) 0 19.75207300 5.57240700 -1.37486900 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=203) 0 18.14814200 4.93252100 -1.68932900 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=203) 0 18.97669200 4.49437200 -0.18823600 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=203) 0 21.71887600 1.88112900 -1.95902800 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=203) 0 22.52418100 2.09429200 -2.86452500 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=204) 0 21.38296300 0.65064000 -1.57801900 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=204) 0 20.73277600 0.54602500 -0.80303600 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=204) 0 21.85026100 -0.57102900 -2.23935600 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=204) 0 22.33953200 -0.29802400 -3.17122700 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=204) 0 22.88696800 -1.31782100 -1.38298500 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=204) 0 22.41201400 -1.67014100 -0.47176200 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=204) 0 23.44094700 -2.53422400 -2.11806100 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=204) 0 23.92757100 -2.22060700 -3.04136100 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=204) 0 24.16065800 -3.03969000 -1.47504100 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=204) 0 22.64000600 -3.23762600 -2.34478800 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=204) 0 24.08289600 -0.43103100 -1.01207300 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=204) 0 23.75921900 0.39392700 -0.37863900 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=204) 0 24.82162400 -1.01457200 -0.46372600 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=204) 0 24.54419800 -0.02562600 -1.91299600 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=204) 0 20.65954500 -1.46488100 -2.57402400 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=204) 0 19.85212600 -1.79160800 -1.70478000 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=205) 0 20.56122100 -1.87065400 -3.83856300 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=205) 0 21.30758100 -1.59668400 -4.47012300 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=205) 0 19.60103200 -2.85375700 -4.33359200 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=205) 0 18.75838000 -2.91149200 -3.64329600 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=205) 0 19.04932400 -2.37514900 -5.68704200 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=205) 0 18.48914900 -1.46728400 -5.47144100 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=205) 0 19.87273900 -2.10017800 -6.34471300 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=205) 0 18.11060200 -3.34158400 -6.43845700 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=205) 0 17.46124500 -3.85592000 -5.73072000 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=205) 0 17.24060000 -2.51280200 -7.38447200 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=205) 0 17.86501500 -1.95434400 -8.08122100 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=205) 0 16.56477200 -3.16033500 -7.93535000 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=205) 0 16.64795500 -1.80919500 -6.80280900 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=205) 0 18.85624200 -4.37267400 -7.29560300 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=205) 0 19.39199200 -5.07909500 -6.66793200 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=205) 0 18.14776500 -4.94457300 -7.89012400 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=205) 0 19.55588800 -3.87334600 -7.96358600 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=205) 0 20.26645100 -4.22712700 -4.36683200 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=205) 0 21.33221200 -4.40484700 -4.95657200 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=206) 0 19.61441700 -5.20142300 -3.75255500 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=206) 0 18.69248400 -4.99419000 -3.38334700 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=206) 0 20.03840300 -6.58995500 -3.67947400 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=206) 0 21.04511500 -6.68476900 -4.08227300 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=206) 0 20.06744300 -7.04790100 -2.21860900 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=206) 0 19.05865700 -6.97807200 -1.80902400 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=206) 0 20.35464600 -8.09969300 -2.20109800 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=206) 0 21.01447900 -6.27695900 -1.31731200 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=206) 0 20.59681200 -5.07651700 -0.70970300 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=206) 0 19.60991100 -4.68234600 -0.90719300 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=206) 0 21.45672000 -4.39172700 0.16586200 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=206) 0 21.13045200 -3.47289600 0.62843600 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=206) 0 22.73622900 -4.90412800 0.44100000 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=206) 0 23.39304300 -4.38493400 1.12560400 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=206) 0 23.15905100 -6.09667400 -0.17138100 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=206) 0 24.13945600 -6.49495900 0.04547300 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=206) 0 22.30193700 -6.78081000 -1.05171800 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=206) 0 22.62717400 -7.70499100 -1.50848900 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=206) 0 19.10282300 -7.46899500 -4.50973800 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=206) 0 17.92595000 -7.15509300 -4.69313100 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=207) 0 19.63170200 -8.57940300 -5.01446100 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=207) 0 20.61967500 -8.75028900 -4.85728700 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=207) 0 18.86784400 -9.62098900 -5.70715200 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=207) 0 17.93515500 -9.77637600 -5.16284700 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=207) 0 18.53457700 -9.17375400 -7.14331800 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=207) 0 18.04017600 -9.99362000 -7.66552100 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=207) 0 17.83513600 -8.33808600 -7.10368400 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=207) 0 19.77392000 -8.73566800 -7.93376500 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=207) 0 20.16295800 -7.80210800 -7.52385300 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=207) 0 20.53854100 -9.50308300 -7.85432200 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=207) 0 19.43504000 -8.53319200 -9.40748700 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=207) 0 19.11428900 -9.48376600 -9.82604400 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=207) 0 18.64044400 -7.79435500 -9.50555100 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=207) 0 20.68331200 -8.05567300 -10.13971200 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=207) 0 21.03035000 -7.12509700 -9.68427800 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=207) 0 21.48071700 -8.79428800 -10.01609900 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=207) 0 20.42932300 -7.82809200 -11.57389100 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=207) 0 19.70525100 -7.13228700 -11.71437400 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=207) 0 21.27274600 -7.46212700 -12.00500300 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=207) 0 20.24786700 -8.69338800 -12.08326500 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=207) 0 19.61232700 -10.95286100 -5.68443500 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=207) 0 20.80661200 -10.99252300 -5.38668000 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=208) 0 18.93166700 -12.04545400 -6.02276600 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=208) 0 17.93949200 -11.92084600 -6.21074700 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=208) 0 19.48187400 -13.41589700 -5.95705400 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=208) 0 20.32808000 -13.40385200 -5.26698200 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=208) 0 18.43829400 -14.35925800 -5.33695200 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=208) 0 17.55969100 -14.42139200 -5.98209600 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=208) 0 18.87181300 -15.35426400 -5.24348200 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=208) 0 18.02620600 -13.85844000 -3.94145600 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=208) 0 18.91677900 -13.62624700 -3.35579900 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=208) 0 17.43831600 -12.94677000 -4.04495100 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=208) 0 17.20109000 -14.89744900 -3.18494200 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=208) 0 16.37601500 -15.23693100 -3.81352000 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=208) 0 17.83543400 -15.74744400 -2.93002400 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=208) 0 16.64447900 -14.26510600 -1.91085200 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=208) 0 17.46708100 -13.86293200 -1.31367500 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=208) 0 15.99264300 -13.43844100 -2.19577000 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=208) 0 15.88163700 -15.25437800 -1.12709700 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=208) 0 16.51439900 -15.89742500 -0.65769300 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=208) 0 15.32177200 -14.80150700 -0.41394700 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=208) 0 15.24487900 -15.77678800 -1.72906600 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=208) 0 20.09402800 -13.91895200 -7.27634800 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=208) 0 20.23801400 -15.12503300 -7.48060100 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=209) 0 20.43908600 -12.99873900 -8.17613700 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=209) 0 20.35353700 -12.02990000 -7.91501600 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=209) 0 20.96814000 -13.26604000 -9.51574300 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=209) 0 21.60069900 -14.15342900 -9.46874500 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=209) 0 19.79987900 -13.56318300 -10.47788000 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=209) 0 20.19785800 -13.71556400 -11.48154800 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=209) 0 19.34772800 -14.50975600 -10.17954600 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=209) 0 18.69303500 -12.52085500 -10.53679600 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=209) 0 18.65055600 -11.58590100 -11.58858300 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=209) 0 19.41091200 -11.59917500 -12.35689500 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=209) 0 17.60243400 -10.64974000 -11.66093900 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=209) 0 17.56655700 -9.95168700 -12.48410400 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=209) 0 16.59827000 -10.63688200 -10.67455500 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=209) 0 15.78111100 -9.93163400 -10.73170200 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=209) 0 16.63281800 -11.57240200 -9.62744100 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=209) 0 15.84662900 -11.58222300 -8.88401700 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=209) 0 17.66941400 -12.51963800 -9.56719900 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=209) 0 17.66363700 -13.26362700 -8.78410500 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=209) 0 21.85746900 -12.10993700 -10.01251000 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=209) 0 21.85360100 -11.01995500 -9.44023100 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=210) 0 22.62069200 -12.35336100 -11.08069800 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=210) 0 22.55117900 -13.27214900 -11.49574400 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=210) 0 23.67567000 -11.47790800 -11.62333600 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=210) 0 24.19611400 -12.03733000 -12.40035500 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=210) 0 23.06835200 -10.24512800 -12.32304400 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=210) 0 22.67781500 -9.56483600 -11.56813100 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=210) 0 23.85814000 -9.72300300 -12.86469800 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=210) 0 21.95595300 -10.59155200 -13.31719100 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=210) 0 20.97529200 -9.80957100 -13.38327700 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=210) 0 22.07523200 -11.63124200 -14.01304200 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=210) 0 24.74823000 -11.16430700 -10.56144600 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=210) 0 25.09312800 -12.04517300 -9.76709300 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=211) 0 25.29436600 -9.94591200 -10.50871800 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=211) 0 25.02338500 -9.26428200 -11.20735300 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=211) 0 26.22484100 -9.51993800 -9.44439600 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=211) 0 27.07457400 -10.20410200 -9.44480900 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=211) 0 26.78017100 -8.11553000 -9.75370900 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=211) 0 27.65523200 -7.95758500 -9.12216900 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=211) 0 27.11943600 -8.08754400 -10.78884800 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=211) 0 25.81606000 -6.94237900 -9.50817000 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=211) 0 25.55930700 -6.91993600 -8.45061200 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=211) 0 26.33262000 -6.01015400 -9.74395400 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=211) 0 24.53709700 -7.02827200 -10.34086000 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=211) 0 24.61885000 -6.91072300 -11.58662900 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=211) 0 23.45318500 -7.26082000 -9.75984200 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=211) 0 25.60027500 -9.58119700 -8.03281900 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=211) 0 26.30865400 -9.71106700 -7.03124300 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=212) 0 24.26772500 -9.51481900 -7.94558500 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=212) 0 23.75522100 -9.37017300 -8.80943700 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=212) 0 23.47969300 -9.68656200 -6.72451700 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=212) 0 22.47914000 -10.00261200 -7.00511500 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=212) 0 23.92257900 -10.48052800 -6.12440600 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=212) 0 23.36784700 -8.44325100 -5.83928200 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=212) 0 22.57302400 -8.44012000 -4.89433600 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=213) 0 24.14158400 -7.38654100 -6.11211000 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=213) 0 24.75990500 -7.45197700 -6.91237900 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=213) 0 24.21461800 -6.17398700 -5.28691400 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=213) 0 23.22948400 -5.98241800 -4.86260900 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=213) 0 25.19620300 -6.43935200 -4.13471000 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=213) 0 24.89042200 -7.35375800 -3.62362900 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=213) 0 26.19746000 -6.58991000 -4.53891200 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=213) 0 25.20260300 -5.31276900 -3.09811500 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=213) 0 24.23462200 -4.82023900 -3.12857300 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=213) 0 25.31394900 -5.74435900 -2.10264500 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=213) 0 26.31918900 -4.28177400 -3.31814000 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=213) 0 26.53895700 -4.17110200 -4.38119200 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=213) 0 25.96134100 -3.32386100 -2.94872700 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=213) 0 27.53916800 -4.67535700 -2.59161600 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=213) 0 27.82587500 -5.64766900 -2.68335200 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=213) 0 28.21583200 -3.93750200 -1.73330900 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=213) 0 28.00541800 -2.65967200 -1.57546700 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=213) 0 27.35137400 -2.17298600 -2.18408200 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=213) 0 28.46212500 -2.17940600 -0.80888800 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=213) 0 29.12750700 -4.46991500 -0.97435300 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=213) 0 29.30455100 -5.47323700 -0.98691200 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=213) 0 29.62579600 -3.86817100 -0.34034600 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=213) 0 24.62672800 -4.95560400 -6.11470500 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=213) 0 25.64503100 -4.97899300 -6.79157400 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=214) 0 23.84171300 -3.88616300 -6.03324400 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=214) 0 23.03197800 -3.94793300 -5.42723900 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=214) 0 23.91811300 -2.71344800 -6.90287600 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=214) 0 24.84975300 -2.72599100 -7.47446500 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=214) 0 22.72426100 -2.75654200 -7.87765900 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=214) 0 21.79539300 -2.81801900 -7.31561300 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=214) 0 22.70152900 -1.83677100 -8.46236500 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=214) 0 22.79860900 -3.92640700 -8.83696200 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=214) 0 23.29136000 -3.79908300 -9.94548500 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=214) 0 22.32858900 -5.08716600 -8.44858600 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=214) 0 22.60895700 -5.89511100 -9.01284400 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=214) 0 21.95666100 -5.19365500 -7.52310600 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=214) 0 23.88532000 -1.43954800 -6.05268000 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=214) 0 22.92426000 -1.22486100 -5.31543300 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=215) 0 24.90993700 -0.59483100 -6.14663500 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=215) 0 25.64740600 -0.78964700 -6.81850800 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=215) 0 25.03394900 0.62624900 -5.34819100 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=215) 0 24.50579700 0.50809700 -4.39923300 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=215) 0 26.52003500 0.85515600 -5.05210000 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=215) 0 27.04424700 0.88069600 -6.00534700 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=215) 0 26.63928900 1.82765700 -4.58063000 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=215) 0 27.20422600 -0.17502800 -4.16476200 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=215) 0 26.61277500 -0.99078900 -3.46928900 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=215) 0 28.51552000 -0.15962700 -4.16044700 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=215) 0 29.00382000 -0.81974400 -3.58770900 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=215) 0 28.99613800 0.50996400 -4.74407300 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=215) 0 24.43055900 1.83190800 -6.09559800 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=215) 0 24.71576200 2.03892100 -7.27768100 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=216) 0 23.61714000 2.64467100 -5.42027000 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=216) 0 23.41806900 2.42654500 -4.44910200 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=216) 0 22.85643200 3.74086000 -6.03113100 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=216) 0 22.33712300 3.34245700 -6.90298000 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=216) 0 21.79388000 4.22378000 -5.04225500 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=216) 0 21.13699700 3.38355300 -4.81806000 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=216) 0 22.27982500 4.53856500 -4.11785200 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=216) 0 20.95673900 5.36846700 -5.56697300 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=216) 0 19.81827800 5.10013400 -6.34146000 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=216) 0 19.52525100 4.07970500 -6.50681800 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=216) 0 19.06678300 6.14982800 -6.89430300 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=216) 0 18.19198700 5.93698400 -7.48805800 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=216) 0 19.45991700 7.47723100 -6.67061900 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=216) 0 18.89550500 8.29644000 -7.08774900 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=216) 0 20.59803500 7.74637200 -5.89732400 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=216) 0 20.89915300 8.76639300 -5.73270000 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=216) 0 21.34680200 6.69906600 -5.34054000 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=216) 0 22.22968700 6.92163400 -4.75782400 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=216) 0 23.72348400 4.91193200 -6.51681000 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=216) 0 24.63351800 5.36608700 -5.81940500 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=217) 0 23.38585800 5.44802900 -7.68972100 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=217) 0 22.56886800 5.08306200 -8.16300000 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=217) 0 24.17621600 6.43585100 -8.43136300 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=217) 0 25.14943900 6.55941800 -7.95650200 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=217) 0 24.41000100 5.90835900 -9.85464400 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=217) 0 23.44184100 5.70313000 -10.30664500 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=217) 0 24.90090100 6.67829700 -10.44946700 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=217) 0 25.25936100 4.63142300 -9.90128800 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=217) 0 26.31245500 4.90790300 -9.83980700 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=217) 0 25.03044300 3.99626300 -9.04669100 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=217) 0 24.99894600 3.83181900 -11.17956500 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=217) 0 25.14355100 4.40628100 -12.28253900 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=217) 0 24.66322500 2.62695800 -11.07237100 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=217) 0 23.49026200 7.81093700 -8.49134200 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=217) 0 22.32568800 7.92240100 -8.89783700 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=218) 0 24.23283800 8.86213400 -8.14301800 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=218) 0 25.15265300 8.69455000 -7.75358400 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=218) 0 23.77259300 10.24944800 -8.21202300 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=218) 0 24.63278600 10.91846000 -8.20876700 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=218) 0 23.23993700 10.39211300 -9.15038900 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=218) 0 22.85254500 10.65832800 -7.06220700 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=218) 0 22.91051800 10.09679600 -5.96878200 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=219) 0 22.00750100 11.65876300 -7.29506600 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=219) 0 21.96817200 12.05056300 -8.23032500 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=219) 0 21.13641600 12.24092800 -6.27251100 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=219) 0 21.73697500 12.40135300 -5.37734600 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=219) 0 20.65089500 13.61028700 -6.74519000 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=219) 0 21.53369500 14.21157600 -6.95674000 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=219) 0 20.07294000 13.49191200 -7.66264000 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=219) 0 19.79080300 14.34020700 -5.70615800 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=219) 0 18.76189000 13.98362200 -5.76934100 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=219) 0 20.16586000 14.10822200 -4.70696200 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=219) 0 19.83285800 15.85800000 -5.90865200 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=219) 0 19.89951300 16.33317000 -7.07013200 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=219) 0 19.87695800 16.58068100 -4.88240300 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=219) 0 19.96263800 11.32732400 -5.90437300 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=219) 0 19.19985600 10.87637800 -6.76558500 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=220) 0 19.79762600 11.06993500 -4.60538400 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=220) 0 20.44699400 11.49343100 -3.94689600 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=220) 0 18.74234800 10.19081500 -4.08889700 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=220) 0 18.67961300 9.30712600 -4.72131400 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=220) 0 19.04827500 9.71816700 -2.65686300 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=220) 0 19.00957900 10.58049800 -2.00058000 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=220) 0 18.01224200 8.68976200 -2.19263200 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=220) 0 18.08074800 7.79892500 -2.81587300 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=220) 0 18.19857100 8.42130500 -1.15553000 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=220) 0 17.00495500 9.10187900 -2.24687600 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=220) 0 20.42833900 9.06653600 -2.50906500 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=220) 0 21.20997300 9.76628900 -2.80057600 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=220) 0 20.59873600 8.79195700 -1.46898400 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=220) 0 20.49309200 8.17439100 -3.12800500 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=220) 0 17.39773700 10.91316900 -4.13972400 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=220) 0 17.11040600 11.76135800 -3.29492700 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=221) 0 16.55171400 10.54839500 -5.10027600 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=221) 0 16.86494000 9.88007100 -5.78784100 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=221) 0 15.14998300 10.98792600 -5.17730400 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=221) 0 14.89232800 11.45233200 -4.23435600 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=221) 0 14.88721800 12.04878200 -6.26328400 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=221) 0 14.02580500 12.61980300 -5.92885100 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=221) 0 16.03178400 13.03280600 -6.49320900 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=221) 0 16.90197700 12.51582600 -6.89336100 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=221) 0 15.71834600 13.79609400 -7.20530600 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=221) 0 16.29753500 13.51128900 -5.55107400 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=221) 0 14.54211800 11.48024800 -7.50500200 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=221) 0 13.67019500 11.87436700 -7.72240900 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=221) 0 14.22596100 9.78845800 -5.35844400 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=221) 0 14.67914900 8.74316100 -5.82842900 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=222) 0 12.93125700 9.92010200 -5.03663800 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=222) 0 12.62392900 10.78453500 -4.59829600 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=222) 0 11.92214200 8.89096100 -5.33891300 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=222) 0 12.14629900 7.99847400 -4.75856000 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=222) 0 10.52163300 9.39854300 -4.94635700 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=222) 0 10.50033400 9.55910300 -3.86819500 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=222) 0 10.33281700 10.35474400 -5.43928500 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=222) 0 9.40840800 8.40624700 -5.33831900 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=222) 0 9.40733700 8.27636600 -6.42038700 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=222) 0 9.59861600 7.44178800 -4.87054100 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=222) 0 8.02045600 8.90547700 -4.92712400 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=222) 0 7.94693200 8.93521800 -3.84275800 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=222) 0 7.89648200 9.91162300 -5.31925700 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=222) 0 6.92107500 7.99526300 -5.49018100 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=222) 0 6.94497800 8.05352500 -6.58212700 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=222) 0 7.14179200 6.96570900 -5.20051100 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=222) 0 5.57283300 8.37516600 -4.99842200 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=222) 0 5.37205400 9.35286600 -5.20203900 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=222) 0 4.84889700 7.79195200 -5.42074200 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=222) 0 5.49429500 8.23551400 -3.99443000 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=222) 0 11.98004100 8.48984600 -6.81259200 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=222) 0 12.03947800 7.30686800 -7.12447000 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=223) 0 12.02010100 9.47006600 -7.70897600 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=223) 0 12.04174500 10.42591300 -7.36816000 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=223) 0 12.04458500 9.25547900 -9.15623500 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=223) 0 11.18260300 8.64787800 -9.43719200 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=223) 0 11.94265400 10.60023700 -9.89648000 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=223) 0 12.85585500 11.18052400 -9.76154900 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=223) 0 11.85715600 10.37599000 -10.95747600 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=223) 0 10.72088100 11.44799000 -9.49849600 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=223) 0 10.49095500 12.10862800 -10.33343000 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=223) 0 9.86038700 10.78862200 -9.36538700 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=223) 0 10.90118700 12.31541600 -8.23876100 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=223) 0 11.98323700 12.30887300 -7.60297700 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=223) 0 9.92128800 13.00410000 -7.85391300 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=223) 0 13.30230400 8.49087900 -9.59200900 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=223) 0 13.19358900 7.45133500 -10.24607100 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=224) 0 14.48253900 8.94410600 -9.15386300 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=224) 0 14.49547900 9.79279000 -8.59650500 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=224) 0 15.76065700 8.29948100 -9.45684800 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=224) 0 15.84395600 8.16995900 -10.53789900 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=224) 0 16.90852200 9.20182700 -8.96869000 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=224) 0 16.74416800 9.47457800 -7.92678500 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=224) 0 17.84065800 8.64371200 -9.03790100 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=224) 0 17.11190500 10.46336400 -9.78525300 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=224) 0 16.67143500 10.58711200 -10.92193100 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=224) 0 17.86777700 11.40102800 -9.26488900 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=224) 0 18.03029300 12.24852800 -9.78692300 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=224) 0 18.29869600 11.25634100 -8.35491300 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=224) 0 15.87853500 6.89862700 -8.83553000 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=224) 0 16.52804600 6.03270900 -9.41540600 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=225) 0 15.25996600 6.64848800 -7.67711800 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=225) 0 14.78002900 7.41576500 -7.21605100 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=225) 0 15.22953800 5.33048900 -7.03503700 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=225) 0 16.22441400 4.89918900 -7.07514000 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=225) 0 14.81019200 5.48050400 -5.56811400 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=225) 0 13.96825000 6.17098300 -5.51362500 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=225) 0 14.47050600 4.51405300 -5.19201900 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=225) 0 15.95224100 5.97630500 -4.66994800 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=225) 0 16.45988600 6.82711600 -5.12399300 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=225) 0 15.36433000 6.39447000 -3.32879100 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=225) 0 14.77731000 5.57218700 -2.92661300 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=225) 0 16.15584300 6.64616400 -2.62847100 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=225) 0 14.72110100 7.26453600 -3.46563800 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=225) 0 16.96620600 4.86323900 -4.39874900 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=225) 0 17.32211400 4.42931300 -5.32824100 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=225) 0 17.82410400 5.28292100 -3.87728900 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=225) 0 16.50653300 4.07684700 -3.80266400 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=225) 0 14.30971800 4.35004200 -7.76045600 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=225) 0 14.68862900 3.19585200 -7.95543300 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=226) 0 13.14066500 4.80998900 -8.20832300 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=226) 0 12.87779300 5.76641700 -7.98814300 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=226) 0 12.25943900 4.02639600 -9.07011000 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=226) 0 12.03625000 3.07813300 -8.58169300 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=226) 0 10.94397100 4.79945800 -9.28575600 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=226) 0 11.19702800 5.79692400 -9.63558000 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=226) 0 10.36443600 4.30543800 -10.06692400 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=226) 0 10.05362800 4.94803600 -8.03446700 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=226) 0 10.63900000 5.31190100 -7.19530100 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=226) 0 8.92344400 5.94095300 -8.30795400 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=226) 0 8.30257300 5.57973700 -9.12983900 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=226) 0 8.30729100 6.05148200 -7.41795600 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=226) 0 9.34472100 6.90929800 -8.57651300 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=226) 0 9.42184200 3.63197100 -7.60429100 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=226) 0 10.19898100 2.91973900 -7.33655400 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=226) 0 8.79104300 3.79557600 -6.73199300 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=226) 0 8.81112100 3.23487900 -8.41576500 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=226) 0 12.97221900 3.68367200 -10.39071300 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=226) 0 12.93288600 2.53198700 -10.81301100 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=227) 0 13.69655400 4.62279700 -11.01000100 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=227) 0 13.68926400 5.56681300 -10.63379900 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=227) 0 14.52406000 4.33989700 -12.19581800 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=227) 0 13.90176500 3.86671300 -12.95478200 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=227) 0 15.07965500 5.64433100 -12.78504800 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=227) 0 15.57557400 6.21891900 -12.00170400 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=227) 0 15.82389200 5.39475300 -13.54153400 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=227) 0 14.00090600 6.49399300 -13.45315500 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=227) 0 13.23033600 5.95538200 -14.28464500 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=227) 0 13.91652900 7.70938700 -13.16744700 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=227) 0 15.66791900 3.35440800 -11.89561500 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=227) 0 15.84558600 2.36911300 -12.60626400 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=228) 0 16.41062900 3.54627500 -10.80649900 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=228) 0 16.25572600 4.39163600 -10.26610800 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=228) 0 17.45689100 2.62142000 -10.35314600 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=228) 0 18.24702000 2.58532900 -11.10338700 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=228) 0 18.03767600 3.19637300 -9.05919700 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=228) 0 18.68426700 4.03442900 -9.31867900 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=228) 0 17.22027900 3.60400900 -8.47206000 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=228) 0 18.80425800 2.25223000 -8.15761400 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=228) 0 20.12893300 1.88861600 -8.46271100 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=228) 0 20.58161500 2.20254800 -9.39295100 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=228) 0 20.88057000 1.14333300 -7.53774800 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=228) 0 21.89924300 0.86513500 -7.76845800 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=228) 0 20.32303400 0.79544700 -6.29625700 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=228) 0 20.91849400 0.26479300 -5.57047900 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=228) 0 18.99425100 1.13979100 -5.99745700 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=228) 0 18.56531100 0.86874900 -5.04316200 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=228) 0 18.22736300 1.84769800 -6.93699500 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=228) 0 17.21007300 2.12719100 -6.69765400 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=228) 0 16.94125600 1.18415100 -10.17003000 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=228) 0 17.64831800 0.23870000 -10.51901700 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=229) 0 15.69844600 1.01242800 -9.71062700 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=229) 0 15.19452700 1.84105300 -9.40723500 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=229) 0 15.00159600 -0.28017200 -9.65049000 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=229) 0 15.66272700 -1.00708400 -9.17956300 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=229) 0 13.74644600 -0.12613000 -8.75451800 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=229) 0 13.22762100 0.78384600 -9.04976500 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=229) 0 12.73510700 -1.28139600 -8.86183000 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=229) 0 13.13100400 -2.16806600 -8.37589400 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=229) 0 11.80952100 -1.00740200 -8.35646300 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=229) 0 12.49707300 -1.50825900 -9.89989700 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=229) 0 14.20174700 0.02295100 -7.28341800 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=229) 0 14.53945600 -0.94196700 -6.90660600 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=229) 0 15.04435900 0.71020300 -7.22070400 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=229) 0 13.11614000 0.55475200 -6.34813900 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=229) 0 12.33775400 -0.19489300 -6.20925800 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=229) 0 13.57106400 0.77791900 -5.38352600 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=229) 0 12.68296800 1.46941300 -6.75391300 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=229) 0 14.71910000 -0.80560600 -11.07022500 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=229) 0 15.13800300 -1.92280100 -11.39596700 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=230) 0 14.09945700 -0.00061300 -11.94757500 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=230) 0 13.82780700 0.92704700 -11.62960700 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=230) 0 13.83989000 -0.35445400 -13.36301600 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=230) 0 13.13342800 -1.18516100 -13.40934400 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=230) 0 13.23586500 0.84791000 -14.11393100 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=230) 0 13.92057800 1.68954300 -14.03024100 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=230) 0 13.16128000 0.59913100 -15.17364900 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=230) 0 11.84007300 1.27326300 -13.62621900 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=230) 0 11.11691000 0.52736800 -13.93494000 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=230) 0 11.81546500 1.30957000 -12.54284200 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=230) 0 11.42850500 2.63366000 -14.21270900 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=230) 0 12.31131200 3.14323500 -14.59462900 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=230) 0 10.74024500 2.46738100 -15.04150200 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=230) 0 10.76169500 3.54693500 -13.17994700 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=230) 0 9.75823100 3.17153100 -12.95454400 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=230) 0 11.35113700 3.52137000 -12.26296400 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=230) 0 10.69323600 4.94012400 -13.67875900 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=230) 0 10.07229200 5.01071100 -14.48115600 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=230) 0 10.38644500 5.58693800 -12.95539800 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=230) 0 11.61212500 5.27661200 -13.96760600 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=230) 0 15.10541100 -0.80615900 -14.10638600 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=230) 0 15.01935300 -1.68452100 -14.96217000 L N-N--0.415700(PDBName=N,ResName=HID,ResNum=231) 0 16.26985300 -0.25264900 -13.76546200 L H-H-0.271900(PDBName=H,ResName=HID,ResNum=231) 0 16.22403500 0.53729900 -13.13084500 L C-CT-0.018800(PDBName=CA,ResName=HID,ResNum=231) 0 17.54527200 -0.50852700 -14.44506200 L H-H1-0.088100(PDBName=HA,ResName=HID,ResNum=231) 0 17.32864600 -0.96798100 -15.41042300 L C-CT--0.046200(PDBName=CB,ResName=HID,ResNum=231) 0 18.22214100 0.84226300 -14.75319300 L H-HC-0.040200(PDBName=HB2,ResName=HID,ResNum=231) 0 18.47532000 1.33702200 -13.81428400 L H-HC-0.040200(PDBName=HB3,ResName=HID,ResNum=231) 0 19.14746600 0.66175500 -15.30114300 L C-CC--0.026600(PDBName=CG,ResName=HID,ResNum=231) 0 17.36813900 1.77008500 -15.59037600 L N-NA--0.381100(PDBName=ND1,ResName=HID,ResNum=231) 0 16.85323300 1.49831500 -16.83617300 L H-H-0.364900(PDBName=HD1,ResName=HID,ResNum=231) 0 17.06820500 0.68508100 -17.40952200 L C-CR-0.205700(PDBName=CE1,ResName=HID,ResNum=231) 0 16.11091800 2.54587300 -17.22537100 L H-H5-0.139200(PDBName=HE1,ResName=HID,ResNum=231) 0 15.59003100 2.61374000 -18.17251100 L N-NB--0.572700(PDBName=NE2,ResName=HID,ResNum=231) 0 16.12590700 3.51094900 -16.28705400 L C-CV-0.129200(PDBName=CD2,ResName=HID,ResNum=231) 0 16.94381300 3.02834800 -15.25616300 L H-H4-0.114700(PDBName=HD2,ResName=HID,ResNum=231) 0 17.19116700 3.55351000 -14.34537100 L C-C-0.597300(PDBName=C,ResName=HID,ResNum=231) 0 18.48633500 -1.50596600 -13.72638100 L O-O--0.567900(PDBName=O,ResName=HID,ResNum=231) 0 19.61667800 -1.68744500 -14.18915900 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=232) 0 18.08158700 -2.15578400 -12.61702000 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=232) 0 17.15944300 -1.94891700 -12.25419200 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=232) 0 18.95436700 -3.10612300 -11.88781700 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=232) 0 19.70554800 -3.48230200 -12.58619600 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=232) 0 19.71568000 -2.36006000 -10.77074700 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=232) 0 19.01073900 -1.86931100 -10.10477600 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=232) 0 20.27459100 -3.08830900 -10.18510600 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=232) 0 20.72541900 -1.34489400 -11.28858600 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=232) 0 21.83317000 -1.68501900 -11.67540400 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=232) 0 20.39358500 -0.07979900 -11.32816400 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=232) 0 21.10355800 0.57071100 -11.64852300 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=232) 0 19.46761300 0.19486500 -11.02120800 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=232) 0 18.28857300 -4.39212400 -11.32995300 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=232) 0 18.97482400 -5.41480900 -11.25241900 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=233) 0 16.99917700 -4.40555500 -10.95337400 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=233) 0 16.45175300 -3.56290900 -11.07498600 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=233) 0 16.28860000 -5.66592900 -10.61315900 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=233) 0 17.03018100 -6.39242500 -10.28586500 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=233) 0 15.36762300 -5.50181400 -9.39397900 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=233) 0 14.86388900 -6.44681900 -9.21916000 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=233) 0 16.01224700 -5.33338000 -8.53469300 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=233) 0 14.31451500 -4.38968900 -9.38501600 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=233) 0 13.93103200 -4.29770400 -8.37123100 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=233) 0 14.78740700 -3.44469800 -9.61331700 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=233) 0 13.12074200 -4.64070700 -10.29791400 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=233) 0 12.16925700 -5.30909300 -9.91147800 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=233) 0 13.13649000 -4.11591300 -11.50328000 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=233) 0 13.90482500 -3.52964100 -11.80080400 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=233) 0 12.35692900 -4.27283600 -12.13136800 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=233) 0 15.65038900 -6.32612200 -11.84981100 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=233) 0 16.02911200 -5.96527200 -12.95492200 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=234) 0 14.77565000 -7.33164700 -11.71434900 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=234) 0 14.50602400 -7.64345200 -10.79222900 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=234) 0 14.04935700 -7.93815500 -12.84483000 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=234) 0 13.77719800 -7.13954400 -13.53432700 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=234) 0 14.97660400 -8.94492200 -13.56767600 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=234) 0 15.97582000 -8.52257800 -13.67067100 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=234) 0 15.05389400 -9.83286400 -12.94097700 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=234) 0 14.50159400 -9.38694100 -14.96493200 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=234) 0 13.44030500 -9.59565700 -14.94337100 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=234) 0 14.75185900 -8.32239000 -16.03210600 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=234) 0 15.81976100 -8.17633900 -16.17540000 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=234) 0 14.30886000 -8.64547500 -16.97421600 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=234) 0 14.29342200 -7.37779900 -15.74245200 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=234) 0 15.24017300 -10.65662100 -15.38924700 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=234) 0 15.00589300 -11.45924300 -14.68824300 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=234) 0 14.90094100 -10.96274800 -16.37888400 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=234) 0 16.31600600 -10.48843000 -15.40365100 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=234) 0 12.77417300 -8.66500100 -12.35102500 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=234) 0 12.85568300 -9.34135300 -11.32210700 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=235) 0 11.62877500 -8.57278400 -13.05675400 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=235) 0 11.34140200 -7.62068500 -14.12465200 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=235) 0 12.09494000 -7.65202800 -14.91027600 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=235) 0 11.27801500 -6.61587900 -13.70426400 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=235) 0 9.98369700 -8.02388100 -14.70009300 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=235) 0 10.12717800 -8.73215200 -15.51786400 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=235) 0 9.41202000 -7.16012700 -15.03828800 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=235) 0 9.30962700 -8.72568500 -13.52305500 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=235) 0 8.51488400 -9.39742200 -13.85080600 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=235) 0 8.91586800 -7.98715500 -12.83072400 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=235) 0 10.47509600 -9.45712400 -12.85590400 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=235) 0 10.26710100 -9.58102000 -11.79285500 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=235) 0 10.67859800 -10.84602000 -13.48828500 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=235) 0 11.62398700 -11.06379700 -14.24195800 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=236) 0 9.75956400 -11.77669800 -13.21771200 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=236) 0 8.96499400 -11.51705600 -12.65280300 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=236) 0 9.68139800 -13.09064000 -13.86867400 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=236) 0 10.40990500 -13.14489600 -14.67839900 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=236) 0 9.97745500 -14.22351900 -12.86253300 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=236) 0 9.30219900 -14.12592700 -12.01136700 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=236) 0 9.72147800 -15.16379500 -13.35359200 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=236) 0 11.41744100 -14.39041200 -12.33459600 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=236) 0 11.44055400 -15.35604800 -11.83410800 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=236) 0 12.46706800 -14.44505400 -13.44519200 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=236) 0 12.56309300 -13.47278000 -13.92651400 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=236) 0 13.43059700 -14.72441900 -13.01925300 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=236) 0 12.17786100 -15.19038000 -14.18574800 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=236) 0 11.83633000 -13.34332800 -11.29719800 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=236) 0 11.07707000 -13.27413400 -10.51923000 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=236) 0 12.78116200 -13.63957100 -10.84394600 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=236) 0 11.98028600 -12.37309900 -11.76468000 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=236) 0 8.29633600 -13.28028800 -14.51211600 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=236) 0 7.31238400 -12.71291500 -14.03115200 L N-N--0.382100(PDBName=N,ResName=VAL,ResNum=237) 0 8.23839200 -14.07412400 -15.58736900 L H-H-0.268100(PDBName=H,ResName=VAL,ResNum=237) 0 9.08291600 -14.53687800 -15.90132300 L C-CT--0.343800(PDBName=CA,ResName=VAL,ResNum=237) 0 7.03765800 -14.45441300 -16.35819300 L H-H1-0.143800(PDBName=HA,ResName=VAL,ResNum=237) 0 6.21441300 -14.62766800 -15.66941200 L C-CT-0.194000(PDBName=CB,ResName=VAL,ResNum=237) 0 6.63892900 -13.32032200 -17.32251000 L H-HC-0.030800(PDBName=HB,ResName=VAL,ResNum=237) 0 6.53533100 -12.40793800 -16.73214300 L C-CT--0.306400(PDBName=CG1,ResName=VAL,ResNum=237) 0 7.68208600 -13.04929100 -18.41449500 L H-HC-0.083600(PDBName=HG11,ResName=VAL,ResNum=237) 0 7.36828300 -12.20486100 -19.02571000 L H-HC-0.083600(PDBName=HG12,ResName=VAL,ResNum=237) 0 8.64343100 -12.81945600 -17.95695100 L H-HC-0.083600(PDBName=HG13,ResName=VAL,ResNum=237) 0 7.79657100 -13.93147400 -19.04545200 L C-CT--0.306400(PDBName=CG2,ResName=VAL,ResNum=237) 0 5.27965300 -13.58377200 -17.97696300 L H-HC-0.083600(PDBName=HG21,ResName=VAL,ResNum=237) 0 4.53748600 -13.77735000 -17.20299100 L H-HC-0.083600(PDBName=HG22,ResName=VAL,ResNum=237) 0 4.97423000 -12.71717900 -18.56085200 L H-HC-0.083600(PDBName=HG23,ResName=VAL,ResNum=237) 0 5.34298300 -14.45651700 -18.62799300 L C-C-0.835000(PDBName=C,ResName=VAL,ResNum=237) 0 7.27107800 -15.78827300 -17.07228900 L O-O2--0.817300(PDBName=O,ResName=VAL,ResNum=237) 0 6.27761100 -16.52390200 -17.24820700 L O-O2--0.817300(PDBName=OXT,ResName=VAL,ResNum=237) 0 8.45230600 -16.06286300 -17.38553800 L C-C-1.004947(PDBName=C18,ResName=GDS,ResNum=238) 0 -24.72455200 -15.77173600 -11.16013500 L H-H1 94 0.0000 O-O2--0.856478(PDBName=O5,ResName=GDS,ResNum=238) 0 -24.34081300 -14.86145000 -11.92145700 L O-O2--0.856478(PDBName=O6,ResName=GDS,ResNum=238) 0 -25.38699100 -15.66929400 -10.11099200 L C-CT-0.021774(PDBName=C10,ResName=GDS,ResNum=238) 0 -24.37201300 -20.81733000 -5.74729800 L H-HC 101 0.0000 C-CT-0.090430(PDBName=C6,ResName=GDS,ResNum=238) 0 -25.09398100 -22.10238500 -5.34182300 L C-C-0.795436(PDBName=C20,ResName=GDS,ResNum=238) 0 -24.22440700 -22.87003500 -4.32161700 L O-O2--0.768529(PDBName=O7,ResName=GDS,ResNum=238) 0 -24.65452100 -23.03441200 -3.16111500 L O-O2--0.768529(PDBName=O8,ResName=GDS,ResNum=238) 0 -23.11284000 -23.32821600 -4.67714700 L N-N3--0.516764(PDBName=N6,ResName=GDS,ResNum=238) 0 -26.46755400 -21.76576500 -4.86455900 L H-H-0.336685(PDBName=H23,ResName=GDS,ResNum=238) 0 -26.95739300 -22.58171900 -4.50895400 L H-H-0.336685(PDBName=H24,ResName=GDS,ResNum=238) 0 -26.43779200 -21.08052900 -4.11167800 L H-H-0.336685(PDBName=H26,ResName=GDS,ResNum=238) 0 -27.01301300 -21.36743200 -5.62579800 L H-HP-0.075961(PDBName=H8,ResName=GDS,ResNum=238) 0 -25.18638600 -22.73495600 -6.22464700 L H-HC-0.040870(PDBName=H15,ResName=GDS,ResNum=238) 0 -25.11059800 -20.08115700 -6.07399500 L H-HC-0.040870(PDBName=H16,ResName=GDS,ResNum=238) 0 -23.86679400 -20.43512900 -4.86594500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=239) -2 -7.73057100 -11.05270300 -4.88958200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=239) -2 -7.30558800 -10.37900200 -5.49517500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=239) -2 -7.14425000 -10.92763900 -4.11261500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=240) -2 -6.20160900 5.30929900 9.75203900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=240) -2 -5.37727400 5.70143000 9.38511600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=240) -2 -5.96972800 4.35316100 9.67326800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=242) -2 17.14773900 -10.48030500 -2.56370200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=242) -2 16.23178100 -10.80348400 -2.69921500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=242) -2 17.18320900 -10.49756600 -1.58267600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=243) -2 -3.67191700 4.62629400 2.06626200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=243) -2 -4.06428200 5.50333300 2.29080900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=243) -2 -4.14206600 4.07094900 2.72133800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=244) -2 31.51654400 -1.70986700 15.01015800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=244) -2 30.63618700 -1.82971200 14.58169500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=244) -2 32.01156300 -1.29739900 14.27157000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=245) -2 -1.39050200 3.74385600 15.24573300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=245) -2 -1.37622600 3.40819800 14.31110400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=245) -2 -1.05590400 2.93711900 15.69443100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=246) -2 -11.30642200 -21.01347100 -0.52428000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=246) -2 -11.21420900 -20.26873200 0.10643400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=246) -2 -11.88683700 -20.60263600 -1.20412100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=248) -2 -12.80989500 -22.73755400 -3.07382700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=248) -2 -11.84537500 -22.92753400 -3.09106300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=248) -2 -12.77976800 -21.78096200 -2.82158000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=250) -2 -9.34440500 -13.26554200 -4.52872300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=250) -2 -8.78310500 -12.48521000 -4.71972100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=250) -2 -10.23482000 -12.88726400 -4.60628400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=251) -2 -15.52079200 -11.50201600 -11.56641000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=251) -2 -15.79974100 -12.32362300 -12.07403200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=251) -2 -16.21206100 -11.51758000 -10.87973300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=253) -2 -9.45515600 -20.10522800 -2.32522800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=253) -2 -9.24809300 -19.27182000 -1.84453500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=253) -2 -9.97692400 -20.57028800 -1.63287900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=255) -2 -14.30032600 -9.74159500 -13.08981900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=255) -2 -13.38037700 -9.87000100 -12.75998300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=255) -2 -14.74766400 -10.43989200 -12.52930900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=257) -2 -24.95140300 -14.31772500 -14.36096800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=257) -2 -24.29246900 -13.58091500 -14.47783900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=257) -2 -24.71689000 -14.54615900 -13.41325700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=258) -2 -14.58900200 -24.68947000 -3.01854400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=258) -2 -13.96244800 -23.92233400 -3.10097600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=258) -2 -15.27245000 -24.39188400 -3.66977800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=259) -2 -21.66810100 -15.11881100 -11.96958400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=259) -2 -22.63382900 -14.94562600 -12.01376800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=259) -2 -21.33930600 -14.48702300 -12.63491000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=260) -2 -22.91673000 -23.87131700 -1.41123400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=260) -2 -22.63621300 -24.66893200 -1.92000700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=260) -2 -23.58323400 -23.51600500 -2.06437300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=261) -2 -21.20812900 -11.37884000 -12.39951300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=261) -2 -20.36067900 -10.99613600 -12.08334300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=261) -2 -20.87155700 -12.17896200 -12.85673100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=262) -2 -25.73467600 -13.04013600 -10.78793800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=262) -2 -25.21048800 -13.64258000 -11.38603600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=262) -2 -25.58324300 -13.52260700 -9.94458200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=263) -2 -27.57570100 -14.82970600 -14.43761500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=263) -2 -26.60262800 -14.63814200 -14.38948200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=263) -2 -27.90276200 -13.95779800 -14.71018600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=264) -2 -18.03077100 -12.48109000 -14.44174800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=264) -2 -17.64953700 -11.56681900 -14.45011800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=264) -2 -17.40274400 -12.88754600 -13.78042400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=266) -2 -28.47053300 -13.43729200 -10.63785900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=266) -2 -27.58004000 -13.06255900 -10.82917100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=266) -2 -28.22946900 -14.39092700 -10.57366400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=267) -2 -29.58850800 -16.00581500 -8.43069100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=267) -2 -30.37153900 -15.72134200 -8.96264400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=267) -2 -28.91035700 -15.97671500 -9.15432100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=269) -2 -19.05366300 -16.76988600 6.81200900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=269) -2 -19.62496600 -17.50973400 6.56650300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=269) -2 -19.23258300 -16.13198200 6.09581000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=270) -2 7.58031700 -2.86684000 -12.43895700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=270) -2 8.00568200 -2.96373600 -11.55649300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=270) -2 7.61166200 -3.80628200 -12.73521300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=271) -2 -20.04235400 -18.72218700 3.05602500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=271) -2 -21.01056800 -18.64042400 2.98845700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=271) -2 -19.77329500 -18.53009500 2.13346800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=272) -2 30.23117200 11.85615100 -2.39254500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=272) -2 29.94109200 12.25594500 -3.25184600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=272) -2 29.35794000 11.85056200 -1.93311200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=273) -2 -16.28384600 -16.59181300 -16.83057500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=273) -2 -16.05527900 -16.41597500 -17.75661900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=273) -2 -16.76070000 -15.74423500 -16.61404300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=274) -2 25.18917000 -4.54533900 -12.74188500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=274) -2 25.12423900 -5.37090700 -12.20732100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=274) -2 24.24882900 -4.27750500 -12.75372100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=275) -2 -13.15308600 27.10240700 2.79247700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=275) -2 -12.38986500 26.50378700 2.63763200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=275) -2 -13.13999200 27.13853300 3.77589800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=276) -2 20.18666100 -16.48734200 -0.32157300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=276) -2 19.27961800 -16.30125000 0.05207200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=276) -2 20.72199000 -16.20797800 0.44745600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=277) -2 0.27745700 -14.79836800 -9.74759500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=277) -2 0.37543400 -14.96559600 -8.77257100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=277) -2 1.09514500 -14.30576000 -9.91315600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=278) -2 -27.63780000 -10.21127200 -8.44332200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=278) -2 -26.90844600 -10.19669500 -9.09728200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=278) -2 -27.70109700 -9.24895400 -8.23761700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=279) -2 25.53961300 -9.73959700 -16.71357300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=279) -2 24.82757200 -9.05978000 -16.65012000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=279) -2 25.01817000 -10.53270100 -16.42700000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=280) -2 19.75453600 8.17498000 -14.84347900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=280) -2 19.82093800 9.16857900 -14.85945500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=280) -2 19.95028100 7.98136600 -15.77340100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=281) -2 2.07529700 -1.33309700 -8.17714700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=281) -2 3.00538600 -1.10661900 -7.92615600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=281) -2 1.66468700 -0.43988400 -8.05814900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=282) -2 -21.07458200 -3.17612800 -17.59451100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=282) -2 -21.71658300 -3.61784700 -16.97537800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=282) -2 -21.39297000 -3.52169100 -18.44060100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=283) -2 -23.67465000 23.16853100 -4.56960800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=283) -2 -23.26131500 23.13800500 -5.45775800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=283) -2 -24.60891900 22.98140900 -4.80633700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=284) -2 -7.59666600 -18.68800700 11.41741200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=284) -2 -8.58500000 -18.75131300 11.36833400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=284) -2 -7.51506800 -17.75085600 11.71263700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=285) -2 -23.34205800 21.60555400 10.19929200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=285) -2 -23.10013500 20.94909900 9.50317600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=285) -2 -24.00738500 21.10910000 10.69306700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=286) -2 1.95932200 8.62475700 7.73132200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=286) -2 2.15309600 8.15282500 8.55605600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=286) -2 2.47637100 8.07596800 7.09115900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=287) -2 21.84562800 12.56642500 -2.86634000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=287) -2 22.02070900 12.17368200 -1.97504600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=287) -2 21.69513500 13.50225000 -2.59351700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=288) -2 -13.73592000 24.09096000 -15.98639400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=288) -2 -13.22955500 23.59776900 -16.64736700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=288) -2 -14.61571100 24.14741100 -16.42955500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=289) -2 -15.20528300 17.12117900 2.63940400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=289) -2 -15.97333300 16.70416800 3.10356200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=289) -2 -14.65336400 17.35097700 3.42435700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=291) -2 10.10344600 19.41836600 16.64545200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=291) -2 10.79806000 19.23123100 15.96951300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=291) -2 9.69867800 18.54763000 16.73236000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=292) -2 26.77222100 1.46006000 -9.83625500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=292) -2 27.45718500 2.14082600 -10.00635100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=292) -2 26.04339100 1.80191500 -10.40185500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=293) -2 -13.59809000 7.20879500 -12.18059500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=293) -2 -13.05867600 6.61279700 -12.75104200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=293) -2 -13.01829100 7.23058500 -11.37975400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=294) -2 -21.39800600 -6.63981700 15.76242400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=294) -2 -21.39427400 -6.71629000 14.77599100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=294) -2 -20.55736700 -7.11634700 15.95600900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=295) -2 -10.83624400 15.19920000 -6.37023100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=295) -2 -11.46321400 14.80749800 -7.03271400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=295) -2 -10.30604100 14.38270300 -6.18039000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=296) -2 -21.71028700 2.36351700 -11.34065500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=296) -2 -20.92450700 2.57390400 -11.90534500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=296) -2 -21.25715100 1.91398400 -10.59335900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=297) -2 -13.75867400 8.94479300 13.38547900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=297) -2 -14.38499500 8.18696700 13.45789200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=297) -2 -12.90569300 8.45004100 13.38563100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=298) -2 35.14061000 -0.44671100 11.41435700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=298) -2 35.07972900 -0.54629300 10.42245700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=298) -2 35.95058500 -0.95554700 11.57520000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=299) -2 19.29977900 13.51964100 -11.00571400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=299) -2 19.15748000 14.21761800 -11.66429500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=299) -2 19.20262500 12.71681100 -11.57360100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=301) -2 26.16022900 -7.86529100 -13.47426400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=301) -2 25.60347300 -7.50542300 -12.73523700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=301) -2 25.87545500 -7.24306500 -14.18690600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=302) -2 -10.15557600 4.07337700 15.30305700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=302) -2 -9.44039400 3.86863600 14.65081800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=302) -2 -10.81220800 4.47890900 14.68421000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=303) -2 18.51490900 3.21709400 -22.70196900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=303) -2 18.70792800 2.68448800 -21.90919400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=303) -2 17.57592400 3.44209700 -22.54856900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=304) -2 -21.00111700 13.08871300 12.80115800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=304) -2 -21.40391200 13.25869400 11.90655600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=304) -2 -21.74272100 13.34505000 13.36878800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=305) -2 -18.96620300 1.33308000 10.68120300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=305) -2 -19.70888700 1.95439800 10.59662300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=305) -2 -18.21717400 1.95177800 10.79955700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=306) -2 7.35277000 -3.56428600 5.16602000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=306) -2 8.21531200 -3.60609100 4.70175100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=306) -2 6.76330400 -3.41376200 4.38815700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=307) -2 4.92442700 -10.55864000 10.91454000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=307) -2 4.38601800 -9.73201100 10.91766500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=307) -2 5.74582900 -10.19238900 10.48925200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=308) -2 12.52651200 13.75387800 -11.42562600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=308) -2 12.55276900 13.05285800 -12.11676400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=308) -2 13.46106600 13.81526500 -11.18900000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=309) -2 -10.29228500 19.36249700 -11.08874400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=309) -2 -10.41025400 18.89567100 -11.95144900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=309) -2 -10.25055400 18.57433600 -10.49247100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=310) -2 -10.54825800 -1.08954200 11.20934000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=310) -2 -10.91638000 -1.72536500 11.85484900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=310) -2 -9.78421500 -0.74231600 11.72250000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=311) -2 23.87343000 15.43572200 -6.49213500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=311) -2 23.51435500 16.27709600 -6.87381300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=311) -2 23.44353800 15.50683600 -5.59519300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=312) -2 -11.81909000 14.44839900 -0.32990400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=312) -2 -12.52141100 15.02636200 0.06798800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=312) -2 -12.39208200 13.66200100 -0.53125900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=313) -2 0.37446800 -3.79526900 14.65416800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=313) -2 0.53829900 -4.37169700 15.43545100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=313) -2 1.27207200 -3.40614100 14.54724200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=314) -2 -26.18854500 -7.75113800 -10.40736500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=314) -2 -26.68457100 -7.68440900 -9.56540400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=314) -2 -25.93074000 -8.69545300 -10.38783800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=315) -2 -19.35502800 14.47874500 -2.47619600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=315) -2 -19.58427100 13.58906800 -2.84902800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=315) -2 -18.97188200 14.88218900 -3.29298500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=316) -2 19.61407100 -18.77768900 -1.63439000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=316) -2 19.84887400 -17.95057600 -1.14915600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=316) -2 20.28537400 -19.38449800 -1.29339000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=317) -2 -21.93650100 -16.77889900 5.47630700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=317) -2 -21.22934400 -16.16099300 5.20804100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=317) -2 -22.24528100 -16.37735800 6.30004400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=318) -2 -13.60636300 5.17254300 11.48904200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=318) -2 -13.30918300 5.99270300 11.02094400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=318) -2 -14.24887300 4.83340400 10.80781800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=319) -2 29.21938800 12.99434300 -4.70727700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=319) -2 30.06602700 13.02182200 -5.22136400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=319) -2 28.61469700 12.69746300 -5.42836600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=320) -2 -18.34107900 26.27938900 3.20283900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=320) -2 -18.23524300 25.31943900 3.05076500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=320) -2 -17.43634700 26.52332600 3.48738400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=321) -2 -20.24359000 29.18055200 -3.32136300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=321) -2 -20.01911300 29.43504900 -4.24626600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=321) -2 -20.46898300 30.04145200 -2.94420700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=322) -2 23.75624200 6.38687500 -13.19359800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=322) -2 24.34207200 5.62285900 -12.91768500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=322) -2 22.88969100 5.98682400 -12.94510100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=323) -2 25.08470500 -13.96600600 -14.16995600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=323) -2 24.14778600 -14.06143900 -13.86250200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=323) -2 25.29684500 -14.89046100 -14.36572800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=324) -2 15.86682900 9.41559600 -13.36466900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=324) -2 15.97012000 9.81870900 -12.48293500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=324) -2 15.11662600 8.79283000 -13.18543000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=325) -2 -27.91725000 -14.93211800 -1.08731700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=325) -2 -27.69708000 -14.03361600 -0.73469000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=325) -2 -28.90533400 -14.84766400 -1.10377600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=326) -2 12.33801700 14.46896400 -6.10726200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=326) -2 11.38416900 14.49770700 -5.83675700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=326) -2 12.28398000 13.67334300 -6.70596600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=327) -2 -25.86065800 2.19651700 -3.79684800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=327) -2 -26.39550800 1.48130600 -3.38367900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=327) -2 -26.40806800 2.37727500 -4.59097400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=328) -2 14.77452300 15.93751600 -5.56780500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=328) -2 15.23497100 15.60675100 -4.76608000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=328) -2 14.09889300 15.24504700 -5.69096900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=329) -2 2.98779700 -2.82912200 -4.19325100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=329) -2 3.80827400 -2.90192900 -4.75269500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=329) -2 3.07196300 -1.87308400 -3.94913600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=330) -2 11.82809900 16.97751700 -7.18248200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=330) -2 12.20357400 16.17218200 -6.77276000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=330) -2 12.31008700 17.66919100 -6.67887200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=331) -2 -6.62067000 11.36377900 16.72954800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=331) -2 -6.98592900 10.63476700 16.17321400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=331) -2 -5.86844100 10.91809700 17.14014700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=332) -2 -1.57216600 -16.14550200 -4.29119100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=332) -2 -2.51297700 -16.41708600 -4.34191400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=332) -2 -1.21646200 -16.64585200 -5.06449700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=333) -2 0.66885000 -10.70510800 14.16912100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=333) -2 0.74904100 -11.68355600 14.16891900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=333) -2 1.58398400 -10.44132300 14.00370600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=334) -2 -24.11097100 7.67337900 5.46643200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=334) -2 -24.19198500 6.91283200 6.06580800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=334) -2 -23.21557000 7.47736900 5.07431600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=335) -2 3.17408400 6.18131900 -2.10913800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=335) -2 4.06053500 6.59900400 -2.25128100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=335) -2 3.46510700 5.24995200 -1.97726200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=336) -2 31.79918900 10.76110900 2.78857200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=336) -2 31.00224200 11.14565800 3.17201500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=336) -2 31.68987600 10.98262500 1.84095400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=337) -2 -15.25840000 32.37029000 -1.80882600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=337) -2 -15.11735000 33.19992100 -1.33155800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=337) -2 -15.42750100 31.75659300 -1.05053700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=338) -2 7.52789100 11.68104800 -7.50927700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=338) -2 8.42480100 12.07399300 -7.40708200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=338) -2 7.28394100 12.06600200 -8.37895200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=339) -2 9.09043100 -0.94863700 -13.60582000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=339) -2 9.43617900 -0.75697400 -12.70148200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=339) -2 8.47820800 -1.69173300 -13.38050700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=340) -2 14.13482800 18.34476100 -2.72976600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=340) -2 15.01950100 18.03680800 -2.44158400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=340) -2 13.57205500 17.65473900 -2.29841800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=341) -2 9.70667500 14.33901200 -5.57757000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=341) -2 9.70498200 13.77713100 -6.39329300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=341) -2 8.73606700 14.48189800 -5.48607700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=342) -2 -24.40697600 14.22121400 2.85272800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=342) -2 -24.69989900 13.44720100 3.39102200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=342) -2 -23.85550400 13.73606100 2.18247700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=343) -2 -2.49025100 -5.20915500 19.19690700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=343) -2 -3.25058200 -5.56805400 19.69648500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=343) -2 -2.48568200 -4.28664100 19.52983500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=344) -2 -8.78122700 20.93940000 4.93959600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=344) -2 -9.45087700 20.27587700 4.63739700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=344) -2 -9.04269500 20.99792200 5.88870000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=345) -2 -12.48886700 -26.38489600 -3.40524800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=345) -2 -13.28581100 -25.80061200 -3.37608300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=345) -2 -12.83495800 -27.13610600 -2.86649500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=346) -2 -10.89273100 -16.38190000 17.31683100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=346) -2 -10.61039100 -16.43088100 16.35995300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=346) -2 -11.61067600 -17.05954700 17.27847500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=347) -2 27.42470300 7.63696400 -8.20831400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=347) -2 27.57305400 8.59147400 -8.04795500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=347) -2 27.42837900 7.62204600 -9.18718400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=348) -2 -15.78869500 -21.48644800 2.83894500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=348) -2 -15.32276400 -21.40348400 3.69873000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=348) -2 -16.69165300 -21.21391700 3.10455100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=349) -2 15.81468900 1.45726600 -20.46082000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=349) -2 15.62803100 2.21163600 -21.05152500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=349) -2 14.92413900 1.24795300 -20.12554000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=350) -2 20.09546800 1.89209300 14.33453900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=350) -2 20.60116300 2.73204000 14.43758500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=350) -2 20.60420800 1.31870200 14.95195900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=351) -2 25.11726200 -14.81379800 -9.55427800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=351) -2 24.40714100 -15.22556900 -10.09929900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=351) -2 24.99972000 -13.87668700 -9.79974300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=352) -2 -12.23548600 3.26709600 20.84230700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=352) -2 -11.42486600 2.70939400 20.79587800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=352) -2 -11.90668700 4.02632100 21.34413500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=353) -2 3.80177800 -13.60721400 -3.26076200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=353) -2 4.62052600 -13.26708400 -2.83041300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=353) -2 3.15501000 -13.42705000 -2.54191900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=354) -2 -11.91041100 3.78111000 -15.75703600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=354) -2 -12.29922900 3.68444800 -16.63853400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=354) -2 -11.72565100 2.83817800 -15.53491000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=355) -2 -20.96794300 -6.86480800 13.07466900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=355) -2 -19.98910900 -6.77363200 13.16369300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=355) -2 -21.11499200 -6.16289100 12.37944900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=356) -2 -26.40024300 -28.72924700 -5.23838000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=356) -2 -26.59411400 -28.49513000 -4.31087200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=356) -2 -25.57477100 -28.22362600 -5.37888100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=357) -2 -11.88125200 -25.58766400 0.18259000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=357) -2 -12.84018500 -25.61737300 -0.03912200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=357) -2 -11.82024300 -26.29872100 0.83548800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=358) -2 -9.30741100 -6.88106000 20.16278900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=358) -2 -8.56583600 -7.46140500 20.43278100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=358) -2 -9.18260200 -6.14052000 20.80072500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=359) -2 -8.17561400 16.32667600 -0.77242000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=359) -2 -8.32223100 15.73942700 0.00576100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=359) -2 -8.76530800 15.86746100 -1.41930700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=360) -2 -13.00286600 29.52767500 -6.65691200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=360) -2 -12.76098500 28.75233700 -7.22534600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=360) -2 -12.29538500 29.40537800 -5.96490300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=361) -2 -4.38363600 -16.51017200 -4.79651700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=361) -2 -4.37764000 -15.71806200 -4.20824400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=361) -2 -5.18488700 -16.96273200 -4.43037200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=362) -2 12.63218300 15.37517000 7.59164100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=362) -2 12.54732200 16.29425300 7.25461700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=362) -2 13.54843700 15.17437500 7.31894300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=363) -2 8.65686600 -2.61081600 -16.77756300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=363) -2 8.76604200 -3.25932000 -16.03162800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=363) -2 8.31864600 -3.20436500 -17.46496800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=364) -2 -21.82750600 -1.68993700 -14.04156500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=364) -2 -22.25222800 -0.86406900 -13.69772500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=364) -2 -22.58595300 -2.31339000 -13.91069300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=365) -2 33.37320700 -4.65356400 6.19037500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=365) -2 32.44255400 -4.32857000 6.17824400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=365) -2 33.59067800 -4.51041200 5.23426500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=366) -2 -24.36567200 5.95151000 -4.64738900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=366) -2 -25.15956100 5.62553000 -5.12241600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=366) -2 -24.25014500 5.22652300 -3.99165900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=367) -2 7.30816000 15.41782500 -7.85898100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=367) -2 8.16309300 15.84047500 -8.09369600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=367) -2 7.25668700 14.74516300 -8.57299300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=368) -2 -13.87516600 -27.87623500 -1.54891500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=368) -2 -14.62345300 -28.46580500 -1.40609100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=368) -2 -14.17146800 -27.06466300 -1.08311400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=369) -2 -3.16229300 -5.71669400 -13.40272600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=369) -2 -3.20988600 -6.57630800 -13.84054300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=369) -2 -4.09869100 -5.42420300 -13.45143400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=370) -2 -0.78350900 6.52000100 -7.27286200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=370) -2 -0.22793000 6.50937200 -8.07008600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=370) -2 -0.07803900 6.40270800 -6.57979000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=371) -2 -22.61544300 -4.39631900 -15.83366600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=371) -2 -21.97897900 -4.85990600 -15.24439300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=371) -2 -23.23583600 -4.04246700 -15.15800100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=372) -2 31.32256000 -3.45047600 17.18525700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=372) -2 31.60881300 -2.94955500 16.39370100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=372) -2 30.41941900 -3.09097300 17.29944400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=374) -2 5.72515600 -13.00196800 11.88430500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=374) -2 4.90235400 -13.21566200 12.37628000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=374) -2 5.58452400 -12.04077000 11.73483600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=375) -2 9.57482000 13.60543700 2.34665500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=375) -2 10.29439000 14.18590700 2.70563100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=375) -2 8.81249200 14.19532000 2.45373700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=376) -2 16.28933900 12.93242200 14.33372700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=376) -2 15.58716600 12.85171200 13.63472800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=376) -2 16.74454900 12.07250800 14.18332700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=377) -2 -29.35934000 -16.08072700 -12.75951900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=377) -2 -28.77376800 -16.07680200 -11.97059900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=377) -2 -28.77343000 -15.62305800 -13.40422600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=378) -2 -8.28592100 -18.62993900 -5.65010400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=378) -2 -8.95160700 -17.98562600 -5.97376400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=378) -2 -8.51579400 -19.40695100 -6.21029500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=379) -2 -19.96764500 12.28073400 -3.94541400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=379) -2 -20.33927300 11.38104300 -4.10433600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=379) -2 -19.13063400 12.20030700 -4.46213400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=380) -2 3.39222300 3.79921500 -6.45984000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=380) -2 3.70033900 2.93326300 -6.14065900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=380) -2 2.49759800 3.83139800 -6.03138300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=381) -2 -14.31654900 18.30433600 9.48354300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=381) -2 -14.61970300 19.07157200 8.94964800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=381) -2 -15.18409400 18.04784600 9.89581600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=382) -2 34.38290600 -3.06368600 -1.83434700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=382) -2 34.12685200 -4.01107700 -1.76408800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=382) -2 34.05168200 -2.84492700 -2.71380500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=383) -2 -12.28921700 -5.90612500 -13.20249500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=383) -2 -12.50706500 -6.54662900 -13.91739000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=383) -2 -13.19846900 -5.68435000 -12.90373000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=384) -2 -7.39312600 -8.76093900 20.90545700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=384) -2 -7.38439100 -8.89652700 21.86819300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=384) -2 -6.45690300 -8.43586300 20.78406900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=385) -2 11.86303900 18.48846900 14.81312600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=385) -2 11.74191200 17.55838400 14.48247600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=385) -2 12.68796900 18.71772600 14.36283100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=386) -2 35.51371200 0.56772000 1.31096100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=386) -2 34.89302500 1.01521100 0.69028200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=386) -2 35.73936200 -0.22377900 0.76080700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=387) -2 -18.66190100 16.87914700 8.98117500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=387) -2 -18.58185200 16.63271000 8.03860500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=387) -2 -19.63388700 17.03927500 9.03444700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=388) -2 -21.69504000 23.67640600 9.73287500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=388) -2 -22.31706800 22.92301100 9.88775700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=388) -2 -21.83815800 24.19353300 10.53544800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=389) -2 13.18379500 10.09578200 15.61461100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=389) -2 13.77144900 9.99054300 14.82682200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=389) -2 13.58915000 10.91346800 15.99760900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=390) -2 -19.19527500 -4.96075400 -11.76417900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=390) -2 -19.77629700 -5.01227600 -10.96941200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=390) -2 -19.27974100 -3.99723000 -11.95932300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=391) -2 1.05812600 10.88160100 0.60973800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=391) -2 1.97022300 10.52567700 0.42245500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=391) -2 0.80771200 10.25066700 1.32931500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=392) -2 -4.64599200 6.71340700 17.85083400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=392) -2 -3.88415400 7.28083600 18.04919400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=392) -2 -4.17215200 5.96364400 17.38845300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=393) -2 -12.21862300 0.30185200 19.23237300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=393) -2 -12.47835500 1.04478300 18.64676300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=393) -2 -12.55628700 -0.45559100 18.68723500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=394) -2 -10.51305900 28.82211800 -13.76544600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=394) -2 -10.01207000 29.64705800 -13.78812800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=394) -2 -11.39778600 29.14485200 -13.48044700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=395) -2 -31.59562300 -22.45784300 -4.76194400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=395) -2 -31.15925800 -22.32758300 -3.88986500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=395) -2 -31.26191500 -23.36206700 -4.97353500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=396) -2 20.44921700 -2.71248400 -16.59923300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=396) -2 19.77323900 -3.41273100 -16.77841900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=396) -2 20.21730500 -2.49767600 -15.67146100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=397) -2 -2.44017200 -8.18410200 16.79949500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=397) -2 -3.42040000 -8.05705800 16.84698800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=397) -2 -2.39546100 -8.99267500 16.24965600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=398) -2 8.30154700 6.53695900 7.88919500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=398) -2 7.79095000 6.21647500 8.68135600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=398) -2 8.33451500 7.48504500 8.08775000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=399) -2 -3.67284900 -14.17285700 -12.66636700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=399) -2 -4.42297100 -13.81352000 -13.20226200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=399) -2 -3.61384700 -15.07232200 -13.05158100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=400) -2 -24.11480300 1.05469600 1.87031000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=400) -2 -24.19106800 0.16032500 1.46575700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=400) -2 -23.90360900 0.78913700 2.80111100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=401) -2 -14.43994200 -15.99367800 15.54686900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=401) -2 -15.40485200 -16.08882200 15.54033000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=401) -2 -14.31306900 -15.59780600 16.44997000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=402) -2 26.47878300 5.60020200 -3.89809400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=402) -2 27.12904000 5.76380600 -4.63460800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=402) -2 25.68367600 5.42484900 -4.46066700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=403) -2 -4.45012600 -1.57382400 22.60856200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=403) -2 -3.99787100 -1.36825100 23.44182500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=403) -2 -5.04130200 -0.77278400 22.54019600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=404) -2 -30.57845700 -14.95268000 -1.43798000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=404) -2 -30.77737400 -14.56519400 -2.31809900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=404) -2 -31.10541900 -15.77540300 -1.48378900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=405) -2 -0.06837000 -15.38868100 2.13614300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=405) -2 -0.31371400 -15.53776100 3.07689600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=405) -2 -0.88570900 -14.93679100 1.81970600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=406) -2 -23.17619000 20.36130100 4.37808700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=406) -2 -23.23425100 19.59812800 4.99305600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=406) -2 -22.96261300 19.89156100 3.54053000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=407) -2 -14.66655500 -17.67271500 9.57213300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=407) -2 -15.36899400 -17.29400200 8.99726400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=407) -2 -14.56823000 -16.91339400 10.20859100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=408) -2 12.77064300 5.84623000 -18.81038500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=408) -2 13.15449200 5.57685300 -17.94602500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=408) -2 12.63761500 4.96111700 -19.21404100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=409) -2 6.76055500 -5.66883200 1.17825100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=409) -2 7.35802200 -6.31879300 0.71854000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=409) -2 6.41404100 -5.21817900 0.36124000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=410) -2 16.79361000 20.13248000 3.35004800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=410) -2 16.21683800 20.23513600 2.54718600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=410) -2 17.16100000 19.23135200 3.12864900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=411) -2 10.87817700 -1.48882800 -15.61743900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=411) -2 10.29368000 -1.22908200 -14.86299000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=411) -2 10.19483000 -1.89184100 -16.20421700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=412) -2 8.45824900 -7.10270200 -7.17375700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=412) -2 9.41750600 -6.87040600 -7.21547500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=412) -2 8.30404000 -6.97368500 -6.20935100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=413) -2 -26.69701500 1.88231300 2.19885900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=413) -2 -26.82531900 1.24130800 2.94233800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=413) -2 -25.75364700 1.67923500 1.98995000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=414) -2 10.07465400 4.95365100 11.50550200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=414) -2 10.42943300 5.29296200 10.65806900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=414) -2 10.62389000 5.45332100 12.14374000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=415) -2 22.44987500 15.88770900 -4.27014400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=415) -2 21.59490500 16.32980000 -4.47237500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=415) -2 22.27471000 15.58975300 -3.35392800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=416) -2 -22.22892800 -25.56188500 -3.47108500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=416) -2 -22.57640100 -24.75577300 -3.93031300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=416) -2 -21.32039700 -25.57290800 -3.82352900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=417) -2 20.92318100 -17.78267900 -13.95249000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=417) -2 20.00072400 -17.88953900 -14.27262900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=417) -2 21.06233400 -16.84160700 -14.25659200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=418) -2 24.20680500 19.87882700 -10.86280400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=418) -2 24.21963000 18.93591500 -10.57302300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=418) -2 23.53663900 20.23979900 -10.27050100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=419) -2 -21.32755700 -7.62466500 -11.00361200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=419) -2 -20.38287400 -7.78110500 -11.23494500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=419) -2 -21.21975700 -6.88713100 -10.36606500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=420) -2 13.83342900 15.17382200 4.52222800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=420) -2 14.41753100 14.78389900 5.19901800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=420) -2 14.28439300 16.04015100 4.38224600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=421) -2 5.83291700 -12.48789300 -1.76249200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=421) -2 6.76309600 -12.56537600 -1.46538600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=421) -2 5.61097600 -11.59315800 -1.45796800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=422) -2 -15.39046800 5.26026600 -11.40684400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=422) -2 -14.92546900 6.10777600 -11.58152500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=422) -2 -15.35309100 4.86560600 -12.30848300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=423) -2 -3.64180400 -17.63029900 -7.11912600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=423) -2 -3.91856000 -17.11717900 -6.31513000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=423) -2 -4.32832600 -18.31917800 -7.11694300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=424) -2 -9.62239900 28.96541200 -2.82787400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=424) -2 -8.83215100 28.51593900 -2.44417700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=424) -2 -10.19659200 29.00721000 -2.04081800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=425) -2 -7.75531100 23.56081700 -10.81034300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=425) -2 -7.13021200 22.88374400 -10.45092200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=425) -2 -7.77387600 24.17318200 -10.03617600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=426) -2 31.35003900 11.29372800 0.10828700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=426) -2 31.13424600 11.45802000 -0.83782000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=426) -2 31.91804600 10.49065400 0.00483500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=427) -2 -8.13219500 -16.81338400 -13.04010400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=427) -2 -7.25461300 -16.71910000 -12.60720100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=427) -2 -8.58342700 -16.01697500 -12.69442700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=428) -2 23.88297700 0.62955200 -9.44998100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=428) -2 24.24108800 1.14863300 -8.69405900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=428) -2 24.05140800 1.28619800 -10.17328000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=429) -2 -17.87019800 -2.66513700 17.09257200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=429) -2 -18.37266500 -2.31121900 16.34186600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=429) -2 -18.32229700 -3.53902600 17.20428500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=430) -2 -24.96780700 -3.59808300 -0.92238300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=430) -2 -24.70159500 -4.32419300 -0.31875800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=430) -2 -24.34721500 -3.77473900 -1.67528500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=431) -2 13.22779100 -18.22370300 1.18175000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=431) -2 13.14313100 -17.31145300 1.55974500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=431) -2 14.19112300 -18.19606500 0.95509600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=432) -2 -21.31529800 17.44117000 8.85979200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=432) -2 -21.74990200 18.31333900 8.95095800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=432) -2 -22.09706100 16.87266200 8.70285000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=433) -2 18.36153400 2.13141500 -20.06538300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=433) -2 18.12881300 3.04655100 -19.79985000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=433) -2 17.45209900 1.77343500 -20.22613400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=434) -2 -20.73952700 6.10894200 -5.76989000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=434) -2 -21.55621000 5.95775900 -6.31724400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=434) -2 -20.49992500 5.14608500 -5.63463000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=435) -2 -7.95099900 25.56337800 -12.66692000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=435) -2 -7.88533800 24.75400400 -12.10574100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=435) -2 -7.07441800 25.56248000 -13.08140900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=436) -2 9.00784500 -8.24716100 -9.56856400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=436) -2 8.69447500 -8.03853600 -8.65703700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=436) -2 9.81792400 -8.75843000 -9.34655600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=437) -2 -5.30991100 -1.40633300 -10.99582100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=437) -2 -5.65400300 -1.00954400 -11.82751000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=437) -2 -4.98717600 -0.58577900 -10.55208000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=438) -2 20.08942000 10.04662000 12.84393400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=438) -2 20.45136400 10.96736200 12.83304900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=438) -2 20.73604800 9.63391700 12.21376400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=439) -2 23.85460800 17.44456400 -9.71250200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=439) -2 23.27302800 17.51585300 -8.92065200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=439) -2 23.93983700 16.47312900 -9.77222600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=440) -2 -17.56132300 12.90717600 -8.97108000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=440) -2 -18.38757300 13.40840600 -8.79838300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=440) -2 -17.83907100 12.01548700 -8.66645400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=441) -2 10.60807600 15.18161800 -3.02235200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=441) -2 10.24866400 14.30998300 -2.75668900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=441) -2 10.29358400 15.21998600 -3.94917500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=442) -2 6.35128700 -6.32403400 -8.71181500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=442) -2 7.08389800 -6.67468900 -8.14914500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=442) -2 6.22611300 -5.44960400 -8.26112400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=443) -2 -11.76844600 -9.62943700 -15.77825900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=443) -2 -11.13076800 -10.01082500 -15.13210700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=443) -2 -11.78797700 -10.32501100 -16.44848500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=444) -2 12.82434700 -19.77476400 -2.77486800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=444) -2 12.22269300 -19.39536000 -2.09933500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=444) -2 13.51857900 -20.15337800 -2.18750400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=445) -2 15.47356700 -12.38955000 10.69133800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=445) -2 16.39852400 -12.08335700 10.88071600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=445) -2 15.66786400 -13.35650900 10.59864900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=446) -2 -21.50633000 -9.22086300 9.51618600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=446) -2 -22.21376900 -8.55706700 9.70434800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=446) -2 -21.09345500 -8.77957000 8.73340900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=447) -2 -15.50031900 14.50199100 -6.07114900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=447) -2 -15.32254900 13.58150700 -5.76966200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=447) -2 -15.38781200 14.37818400 -7.04113000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=448) -2 29.10475600 8.26070900 14.01529600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=448) -2 29.99330600 8.02864900 14.40555900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=448) -2 28.70186600 7.36107300 14.04431500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=449) -2 9.22839100 -6.16596100 3.97389200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=449) -2 9.19565700 -5.29222800 3.52166600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=449) -2 9.91646700 -5.97792900 4.64848100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=450) -2 -10.12919300 15.25581000 -2.29519600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=450) -2 -10.50142300 14.63639400 -2.97772900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=450) -2 -10.70858400 14.97519600 -1.53683600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=451) -2 -18.74606100 26.24077800 -4.84729900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=451) -2 -18.82538800 26.82038600 -5.64977200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=451) -2 -18.90707200 25.36754700 -5.30813200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=452) -2 -15.18700700 11.92338100 -5.27283000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=452) -2 -14.72072200 12.03116700 -4.39729800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=452) -2 -14.73905200 11.09415400 -5.56233300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=453) -2 22.50468400 -6.73740000 -13.07584500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=453) -2 23.32050900 -6.91020900 -12.53092600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=453) -2 22.48764300 -5.75034600 -12.98822100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=454) -2 -11.27991700 5.04588300 -8.74050100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=454) -2 -10.54611900 4.52505100 -9.12452300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=454) -2 -12.05081200 4.51388800 -9.04054800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=455) -2 24.55738700 -4.00020700 -16.88077600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=455) -2 23.90588100 -3.66951900 -17.55297400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=455) -2 24.50452200 -3.23165700 -16.25352000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=456) -2 -8.25742800 20.63412100 0.42372400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=456) -2 -8.03387400 20.91354800 1.33836800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=456) -2 -9.23920900 20.56161900 0.50876600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=457) -2 -6.94289000 5.09939300 -9.46560500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=457) -2 -7.82279100 4.84993600 -9.85404200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=457) -2 -6.37280800 4.53112600 -10.05056900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=458) -2 -20.97359900 14.03168200 -5.71445700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=458) -2 -20.24662600 14.67527600 -5.51578700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=458) -2 -20.74588100 13.35757300 -5.01924600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=459) -2 -19.04418000 28.08652400 1.39394200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=459) -2 -19.88475200 27.75321500 1.01141600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=459) -2 -18.92766200 27.42247900 2.12174000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=460) -2 -13.31994400 -1.50959900 17.62657600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=460) -2 -14.29036800 -1.37509900 17.57146900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=460) -2 -13.23300800 -2.42526800 17.32713300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=461) -2 -26.71386700 0.00073500 -10.25095400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=461) -2 -26.93435100 -0.94758200 -10.06402100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=461) -2 -27.17931300 0.11660600 -11.09713900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=462) -2 11.65658800 17.74083600 4.21117200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=462) -2 12.22862400 18.40111900 3.75672300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=462) -2 11.99643400 17.82642700 5.12683500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=463) -2 -22.81414900 22.85003600 -7.23829300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=463) -2 -23.74606000 22.54222500 -7.37604800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=463) -2 -22.74457900 23.47535000 -7.99574600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=464) -2 8.48235900 -12.91739800 -0.87222700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=464) -2 9.19049300 -12.45369900 -0.37703800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=464) -2 9.04411900 -13.36839900 -1.55811200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=465) -2 -5.74443000 -4.84655600 -13.19088900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=465) -2 -6.19742600 -4.07374000 -13.60493800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=465) -2 -5.54153600 -4.46012200 -12.30720500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=466) -2 -11.76077700 21.40819000 -12.09711800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=466) -2 -11.29070000 20.74451100 -11.53149700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=466) -2 -12.24905500 20.78066200 -12.68344600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=467) -2 27.26265900 7.98784400 -11.02483200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=467) -2 27.30960600 7.91506300 -12.01300800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=467) -2 26.61372300 8.73517200 -10.96638900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=468) -2 8.70940600 -2.87117000 -9.96865900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=468) -2 8.76852400 -3.82599600 -9.73790900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=468) -2 7.90472100 -2.62591200 -9.45276000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=469) -2 11.45997300 -15.44658800 8.31300400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=469) -2 12.23570400 -14.85011700 8.35920400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=469) -2 11.83174900 -16.17040900 7.76196600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=470) -2 21.77774400 12.81406800 -14.65362500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=470) -2 22.45334800 12.28450000 -14.15937600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=470) -2 22.23049700 13.66405800 -14.71654300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=471) -2 -14.40056500 26.45203200 -9.48864900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=471) -2 -15.27160800 26.76102700 -9.13834900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=471) -2 -14.12915300 27.24046900 -9.99266500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=472) -2 3.43644200 6.94738500 6.18997600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=472) -2 4.40270800 6.85255600 6.37598900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=472) -2 3.26045000 6.01536200 5.89700700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=473) -2 -16.87135400 20.35894000 -0.78134900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=473) -2 -15.89723700 20.23235200 -0.92360900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=473) -2 -17.19525300 19.80698400 -1.52859800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=474) -2 -9.27906400 -1.32240100 -14.69468000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=474) -2 -8.69548100 -2.08736000 -14.56706400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=474) -2 -10.15008700 -1.68843600 -14.46615200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=475) -2 -24.48448400 -16.74924300 -15.43876900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=475) -2 -24.64735800 -15.84016100 -15.09536700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=475) -2 -23.55234700 -16.68832400 -15.68482800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=476) -2 -12.32560100 -22.99631500 0.97263100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=476) -2 -11.90177100 -22.35849700 0.35070200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=476) -2 -11.98458300 -23.84094200 0.60970500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=477) -2 2.96439600 3.18297600 -11.70541000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=477) -2 3.16726000 3.44449500 -10.76756200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=477) -2 3.81001400 3.47184900 -12.12180900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=478) -2 11.08157500 -6.77277900 -7.78248300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=478) -2 11.35713400 -7.64807900 -8.11842200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=478) -2 11.59875600 -6.17696400 -8.35605000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=479) -2 11.41275700 -18.34831500 -0.87705600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=479) -2 12.09769900 -18.39449600 -0.16815800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=479) -2 10.68200300 -17.93246200 -0.35804400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=480) -2 0.67957100 -15.25866600 -7.15157900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=480) -2 0.12644700 -15.99770500 -6.82999900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=480) -2 1.07084400 -14.94862100 -6.30456600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=481) -2 5.59631200 7.31179600 -2.31496500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=481) -2 5.66363400 7.91284800 -1.53624600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=481) -2 6.51418500 6.94844800 -2.31398500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=482) -2 25.21696700 7.99985800 -14.82581300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=482) -2 24.64417400 7.35037200 -14.35981500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=482) -2 24.57041300 8.66757800 -15.08807000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=483) -2 -18.77505200 24.43881000 -17.85065600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=483) -2 -19.50774100 24.20863300 -18.43206100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=483) -2 -19.19269100 24.38006300 -16.96696400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=484) -2 -27.56666300 -7.56300900 -7.97668400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=484) -2 -27.93639200 -6.71577100 -8.34512200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=484) -2 -27.54160700 -7.30228900 -7.02461200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=485) -2 -28.94621900 22.47751400 -1.15309300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=485) -2 -29.24802400 22.55061700 -0.22712700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=485) -2 -29.48967300 21.72312600 -1.46648000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=486) -2 -16.23834000 24.32517900 -16.90383500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=486) -2 -17.06095200 24.36850900 -17.45268000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=486) -2 -16.26439400 25.24982000 -16.53574600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=487) -2 -20.04052700 -9.21810500 11.77594000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=487) -2 -20.56361600 -8.51911600 12.22102800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=487) -2 -20.57559400 -9.32420200 10.95128600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=488) -2 -7.90722000 26.50557300 0.91680200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=488) -2 -8.08206500 25.54648700 1.07435400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=488) -2 -7.34333500 26.71188000 1.67632000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=489) -2 3.64362100 -5.49044900 -8.34346900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=489) -2 4.28379900 -4.79955900 -8.05070200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=489) -2 4.27292700 -6.12740800 -8.74356400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=490) -2 27.26350600 3.50474600 -7.44872200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=490) -2 27.65825400 3.45338100 -8.34889500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=490) -2 26.40781300 3.05788600 -7.60951600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=491) -2 -13.71802700 18.08851700 4.67192600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=491) -2 -13.12460500 17.31804700 4.86967100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=491) -2 -13.29480300 18.74630000 5.28710800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=492) -2 -11.37753100 -24.65756900 -5.37568900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=492) -2 -10.84053600 -24.19164400 -4.70376200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=492) -2 -11.73605500 -25.39391700 -4.84098700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=493) -2 0.67404800 -13.45676300 13.97422200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=493) -2 0.26801700 -14.12880400 14.57024100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=493) -2 -0.07346200 -13.35486100 13.33431500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=494) -2 10.93026000 -12.69442500 6.63881600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=494) -2 11.66795800 -13.12802200 7.12462300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=494) -2 11.30252700 -11.78862800 6.55774900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=495) -2 12.72945900 16.30157700 -1.62080500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=495) -2 12.62653400 15.80917700 -0.78374100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=495) -2 11.95308900 15.96139600 -2.12181400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=496) -2 -18.19789200 15.05830400 0.00295200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=496) -2 -17.30255100 14.64618000 0.02849400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=496) -2 -18.40104500 14.94082400 -0.95351900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=497) -2 -16.18925700 -7.82256600 -12.47940000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=497) -2 -15.44652500 -8.45312200 -12.59156000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=497) -2 -15.70170200 -6.97068000 -12.55185100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=498) -2 27.37207700 9.85132300 -5.00565800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=498) -2 27.07542400 9.98675300 -4.08288300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=498) -2 26.76956900 9.11840700 -5.27384100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=499) -2 5.46958300 -15.23282800 7.19070000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=499) -2 5.87092400 -14.87403300 8.01835800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=499) -2 6.28659100 -15.61569800 6.78369200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=500) -2 11.79716000 16.03078400 13.78797300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=500) -2 11.28740700 15.66775600 13.01971100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=500) -2 12.22921800 15.19481200 14.08468400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=501) -2 -25.80942600 20.68279400 3.28962500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=501) -2 -25.66508300 19.71299200 3.12152100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=501) -2 -25.01390400 20.85471400 3.84163600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=502) -2 27.78181100 12.12337700 -1.13206700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=502) -2 28.15457800 12.58337000 -0.34783000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=502) -2 27.51416300 12.90756600 -1.67282800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=503) -2 4.54917900 -0.80859800 -7.16573100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=503) -2 4.82447800 -0.05156100 -6.62297000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=503) -2 4.78420600 -1.55833400 -6.56107900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=504) -2 -24.63725500 16.24244300 4.61065900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=504) -2 -24.47958100 15.54212800 3.92075200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=504) -2 -24.94505300 15.64135800 5.33974300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=505) -2 25.90641300 15.02291600 13.05185400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=505) -2 26.12937200 14.78426600 12.12388400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=505) -2 26.38480400 14.29969300 13.52179000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=506) -2 -22.18785000 9.91835300 7.89511600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=506) -2 -21.85299400 9.45811300 8.70571600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=506) -2 -21.51056200 9.59661300 7.24961700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=507) -2 14.08604800 -18.86108800 -9.72610300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=507) -2 15.04506200 -18.72931400 -9.54820100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=507) -2 13.90052900 -18.04589200 -10.23717600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=508) -2 -27.62834000 0.43478000 -7.53706700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=508) -2 -27.56459300 -0.54273000 -7.35141800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=508) -2 -27.36311700 0.43159300 -8.47782200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=509) -2 12.82122000 -10.58693900 6.67298000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=509) -2 13.10911600 -10.63020100 7.61423600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=509) -2 13.65583900 -10.84125800 6.22870600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=511) -2 21.80380400 11.73254700 4.18020600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=511) -2 20.89376100 11.98026100 4.44913000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=511) -2 22.13955400 11.37415700 5.03510400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=512) -2 30.99955500 4.68349400 15.00101900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=512) -2 31.77018300 4.31839100 14.50972000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=512) -2 30.71580700 3.85042700 15.47113900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=513) -2 -29.81772000 -2.09310000 -5.68833100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=513) -2 -29.06693400 -2.22564000 -6.30916300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=513) -2 -29.72339500 -2.91745800 -5.14874200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=514) -2 -16.92908800 29.60688900 2.41749500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=514) -2 -17.80670100 29.25465700 2.16773700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=514) -2 -16.61595000 28.90611200 3.02114400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=515) -2 28.85597000 -8.59056400 -13.02185800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=515) -2 28.61541200 -9.40577500 -13.49664200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=515) -2 28.01666200 -8.09326000 -13.07857900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=516) -2 13.97505800 10.29915300 -15.21045200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=516) -2 14.77783600 10.10327500 -14.68692300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=516) -2 13.57478800 11.00988400 -14.67594100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=517) -2 0.62838300 11.90422600 -1.86997000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=517) -2 -0.05884200 11.22986300 -2.08428700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=517) -2 0.91141100 11.56369900 -0.98917800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=518) -2 -6.27712000 -7.41350500 -12.62920200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=518) -2 -5.74942600 -7.34653400 -11.80365900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=518) -2 -6.15639700 -6.49982200 -12.97627700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=519) -2 -3.71393000 -19.78697500 10.40351000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=519) -2 -3.64177600 -18.84185000 10.15540200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=519) -2 -4.57511500 -20.01051900 9.99265700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=520) -2 33.57371700 -5.67311700 -1.80029400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=520) -2 33.34234600 -5.86452300 -2.74987400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=520) -2 33.06679600 -6.41244500 -1.38384300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=521) -2 -21.19809800 -21.84155400 -0.89054100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=521) -2 -21.76054400 -22.62880600 -1.09137500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=521) -2 -20.51989200 -21.95050800 -1.59982700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=522) -2 32.42960900 -7.84804200 -0.62219200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=522) -2 32.85610700 -7.72179200 0.26096300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=522) -2 32.76228100 -8.72646800 -0.85736400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=523) -2 -21.39582000 9.07340400 -9.24524100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=523) -2 -22.00522100 8.31941600 -9.43749900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=523) -2 -20.94620200 8.71903900 -8.44707200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=524) -2 -2.64011400 11.19700000 -0.34464100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=524) -2 -2.03831900 11.92179200 -0.07277400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=524) -2 -2.10131900 10.78149900 -1.05556300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=525) -2 -13.99814800 15.70166100 0.69973000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=525) -2 -14.73636400 15.14129800 0.38267100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=525) -2 -14.47842700 16.24861600 1.36644700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=526) -2 -13.37155600 8.47739900 1.64989300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=526) -2 -13.78455100 9.33040500 1.38968000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=526) -2 -13.21124500 8.07759500 0.77619500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=527) -2 -24.27767200 2.40746400 8.74786500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=527) -2 -24.91812500 1.85920000 8.22868400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=527) -2 -23.80774300 2.84743000 8.00605100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=528) -2 -8.75890000 0.00927700 22.06898300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=528) -2 -8.44819800 -0.61156700 21.37322800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=528) -2 -9.24829200 0.65612900 21.51140400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=529) -2 10.60391900 -12.94726000 -5.77006600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=529) -2 10.94048700 -13.67444100 -6.34978500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=529) -2 9.81036000 -13.39450700 -5.39964100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=530) -2 33.71373200 6.60319800 13.69488700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=530) -2 33.51304900 5.64143200 13.61683500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=530) -2 34.25050500 6.74440500 12.90571200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=531) -2 -9.45057300 6.33383600 16.73123300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=531) -2 -9.66654200 5.53382300 16.21067200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=531) -2 -8.53348600 6.50629200 16.43351900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=532) -2 30.45337900 3.14059700 7.45141600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=532) -2 30.41565600 2.94002400 6.48678600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=532) -2 29.89936100 3.95035900 7.47299600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=533) -2 16.91632800 -17.92843100 -4.35159800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=533) -2 17.87163600 -17.84463100 -4.56831100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=533) -2 16.52470600 -17.78666000 -5.23996400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=534) -2 -8.60350600 16.17418900 15.97468800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=534) -2 -8.29583900 15.23431000 16.04342300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=534) -2 -7.82907000 16.63486500 16.33018800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=535) -2 -18.52349200 15.02782100 -5.05537800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=535) -2 -18.11017000 14.15806400 -5.27432100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=535) -2 -17.92373600 15.61999100 -5.56216800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=536) -2 -9.01750000 25.05305300 -2.18244900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=536) -2 -8.66348900 24.17606300 -1.89857600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=536) -2 -8.99136800 24.92794600 -3.15938000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=537) -2 -17.73794000 21.12000700 1.65544800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=537) -2 -16.99829300 20.62586100 2.10490400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=537) -2 -17.50004500 20.86712600 0.71901500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=538) -2 20.98731800 19.78537400 -6.81880800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=538) -2 20.66485100 19.87161900 -5.90194600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=538) -2 20.15258000 19.51677600 -7.26778500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=539) -2 9.98132200 15.70457300 -8.68214400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=539) -2 10.61863200 16.29785900 -8.21045600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=539) -2 10.17619400 14.85995100 -8.22986900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=540) -2 -26.64110400 -22.45851100 0.00536000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=540) -2 -25.76231000 -22.58058500 0.42504600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=540) -2 -26.66109000 -23.25368000 -0.57357100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=541) -2 5.19840300 -12.38174300 4.08378700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=541) -2 5.64780500 -11.49562700 4.04992500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=541) -2 6.02368200 -12.94340900 4.11500100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=542) -2 -22.87952000 19.17368100 1.93161800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=542) -2 -23.74235600 18.74213700 2.12393800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=542) -2 -22.37458600 18.38466000 1.61484100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=543) -2 0.49392100 -5.51259700 16.73133100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=543) -2 0.35284500 -6.07790000 17.51811400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=543) -2 1.42250300 -5.22449800 16.88535900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=544) -2 17.24208700 -5.96287800 14.88215600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=544) -2 17.31230300 -6.80985100 15.35245600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=544) -2 18.15250500 -5.91146700 14.49157100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=545) -2 15.94221400 -16.45392800 -11.54109700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=545) -2 16.26056000 -16.94373600 -10.75254700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=545) -2 15.03155100 -16.23567600 -11.25036600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=546) -2 16.24250900 -17.23981700 5.78128100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=546) -2 16.54895900 -17.88424100 5.13046200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=546) -2 15.46602600 -16.85406000 5.31256900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=547) -2 9.91467200 -0.65990900 -11.00042500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=547) -2 10.77129800 -0.63341400 -10.55097700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=547) -2 9.49768500 -1.43666700 -10.55779900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=548) -2 -16.43707600 -17.02364100 7.53656300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=548) -2 -16.14097300 -16.32826900 6.90308700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=548) -2 -17.41354700 -16.92908300 7.42792200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=549) -2 29.27181200 7.80759400 6.50007500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=549) -2 29.97286700 8.17727500 7.10135000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=549) -2 29.85147000 7.56160000 5.73973800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=550) -2 23.75521400 9.09562300 -3.70700800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=550) -2 23.25558600 9.32001500 -4.54008600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=550) -2 24.08627300 10.01547100 -3.51500000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=551) -2 23.49778300 -13.80251700 3.51267900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=551) -2 23.20717900 -14.55379900 4.07309100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=551) -2 22.90374300 -13.93740700 2.73686700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=552) -2 30.12695200 7.79893100 -12.54900400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=552) -2 30.00126900 6.91733800 -12.15469600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=552) -2 29.34728200 7.84615600 -13.14061500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=553) -2 33.01916400 4.02870800 13.20006500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=553) -2 33.50707000 3.23471400 12.86468300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=553) -2 32.39005800 4.12926800 12.43430500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=554) -2 -25.17136200 14.29896000 6.40385100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=554) -2 -25.25626500 13.63401200 5.67176300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=554) -2 -25.26460500 13.65667200 7.16474000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=555) -2 -18.97828200 27.69654000 -7.11538800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=555) -2 -19.72400900 27.26830400 -7.60045200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=555) -2 -19.41804500 28.51015200 -6.79981500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=556) -2 0.40219200 2.08364000 -11.51134400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=556) -2 1.18078800 2.67154000 -11.65087600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=556) -2 0.87763300 1.25515000 -11.26102300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=557) -2 -9.76009100 20.95227700 7.49278800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=557) -2 -10.58480800 21.04278800 8.02458400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=557) -2 -9.14992800 20.61014700 8.16150900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=558) -2 -16.35705900 19.17953600 -12.44681500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=558) -2 -15.62861400 18.54565800 -12.66683600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=558) -2 -17.04304400 18.51165000 -12.17676300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=559) -2 14.18619400 -2.66774500 14.12107500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=559) -2 14.25579800 -2.52801700 13.15247400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=559) -2 14.02169300 -1.74053900 14.41097800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=560) -2 -13.61959700 32.19666600 -7.00574700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=560) -2 -14.03343900 32.34359900 -6.13115800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=560) -2 -13.21779800 31.31318800 -6.85826800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=561) -2 -11.60014300 -14.28725000 18.82794300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=561) -2 -11.29071400 -15.01979500 18.24139900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=561) -2 -11.21283800 -13.51913200 18.34775400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=562) -2 24.93692800 11.11646100 14.34887300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=562) -2 24.25971600 10.63663200 14.84323100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=562) -2 24.40352600 11.49890300 13.61581600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=563) -2 -14.57122200 31.85388100 -12.08033600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=563) -2 -15.28736700 31.25484700 -12.42771400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=563) -2 -14.80554500 32.67366200 -12.54150400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=564) -2 17.33757900 4.26253700 11.99948100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=564) -2 18.18430900 4.74908000 12.09280000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=564) -2 17.68463800 3.34069600 11.97098100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=565) -2 -10.20705700 26.18671600 -14.13821400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=565) -2 -10.26148000 27.17251700 -14.04556700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=565) -2 -9.38120100 26.02973000 -13.62499800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=566) -2 -16.17790000 0.82917900 -14.84462400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=566) -2 -16.36883600 0.99783400 -15.80029800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=566) -2 -17.07921700 1.04755000 -14.48298500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=567) -2 -8.86623000 1.28853200 -14.39844300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=567) -2 -9.74460200 1.52168700 -14.76908800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=567) -2 -8.90208400 0.30512700 -14.53654200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=568) -2 14.99057900 20.71658000 -1.49889200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=568) -2 15.80302200 20.73644300 -2.05786300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=568) -2 14.48029200 20.03038200 -1.98101000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=569) -2 26.76681500 -8.61767100 -18.96773800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=569) -2 26.26313000 -7.78162400 -18.86281700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=569) -2 26.43808000 -9.11446400 -18.19010100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=570) -2 8.22632300 -5.52052800 -12.57818600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=570) -2 7.59164900 -6.25698000 -12.38185100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=570) -2 8.71624600 -5.52683200 -11.71863800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=571) -2 -22.26276200 -5.01188100 6.75972400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=571) -2 -22.77092700 -5.83899100 6.84953200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=571) -2 -21.80513100 -5.01609700 7.64857200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=572) -2 17.17021800 -2.13741000 -17.82398400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=572) -2 17.83890400 -1.49482400 -18.15259700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=572) -2 17.71802300 -2.93917000 -17.73559000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=573) -2 -27.93396000 20.16622800 1.52308600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=573) -2 -28.49819400 20.95574400 1.67427500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=573) -2 -27.31425600 20.24942000 2.27747600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=574) -2 16.68207700 -14.83760100 10.22834900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=574) -2 16.71064300 -15.21953400 9.32362700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=574) -2 17.63918800 -14.70776700 10.38674600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=575) -2 27.26123000 13.92152800 -3.03979100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=575) -2 26.52912000 13.94609600 -3.69367000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=575) -2 28.01627400 13.73851900 -3.64566300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=576) -2 -19.49894200 24.17921000 -15.21801800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=576) -2 -18.66494600 23.65134500 -15.14001000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=576) -2 -20.02572400 23.74744700 -14.51712000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=577) -2 -19.98534300 26.66939500 -2.49125500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=577) -2 -19.67405900 26.37010900 -3.38644700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=577) -2 -20.18928000 27.61577000 -2.73777100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=578) -2 -25.32727000 -5.50501500 -11.57252900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=578) -2 -24.47590500 -5.84830100 -11.91835700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=578) -2 -25.69645300 -6.33950500 -11.18814800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=579) -2 -23.83005800 -3.43214500 -13.54316600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=579) -2 -24.70507100 -3.17862200 -13.16202600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=579) -2 -23.66665000 -4.25792700 -13.03735400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=580) -2 -16.68915000 11.07945300 4.33478200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=580) -2 -16.01236600 11.19329400 5.04461700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=580) -2 -16.20756500 11.51971700 3.59382400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=581) -2 3.79969400 -14.52271100 5.24605700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=581) -2 4.42003000 -14.83463800 5.95970700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=581) -2 4.41016600 -13.89843600 4.78810700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=582) -2 -13.92466800 31.02974600 -9.54588600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=582) -2 -14.14329700 31.53668900 -10.35607600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=582) -2 -13.73488400 31.75669000 -8.91872500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=583) -2 18.59677600 18.59150700 -7.44873500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=583) -2 17.64762900 18.31649300 -7.46605400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=583) -2 19.01555800 17.69423400 -7.40077300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=584) -2 4.66013600 -9.79951200 -0.84342400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=584) -2 5.35606700 -9.72130100 -0.14323300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=584) -2 4.78707700 -8.92335000 -1.28300700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=585) -2 -16.73597300 11.11890400 0.13941600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=585) -2 -15.78812000 10.96591300 0.38727400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=585) -2 -17.15747900 10.45737400 0.74094800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=586) -2 6.06689800 -7.52221500 3.06150800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=586) -2 6.09090100 -7.08892000 3.93676700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=586) -2 6.32863800 -6.76271000 2.48712700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=587) -2 -8.24095600 -19.84515800 7.30235700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=587) -2 -8.00946100 -18.86464000 7.28203900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=587) -2 -7.61919400 -20.09557600 8.03426700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=588) -2 -12.87450400 28.67323200 -10.28855300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=588) -2 -12.47038600 28.33246200 -9.46072400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=588) -2 -13.23401700 29.53235100 -9.94788900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=589) -2 10.63741100 6.96830500 -17.46999100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=589) -2 11.31549900 6.68143300 -18.12341000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=589) -2 11.21239300 7.52008700 -16.88348600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=590) -2 26.41578600 10.21865800 -2.44915400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=590) -2 26.90913900 10.87468700 -1.88928700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=590) -2 25.66790800 10.80830700 -2.72707800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=591) -2 7.74587300 3.76982300 -14.42794300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=591) -2 7.81272200 2.83279500 -14.71897500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=591) -2 8.17007200 4.21442600 -15.19537100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=592) -2 -10.40999200 -12.14595700 17.64236400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=592) -2 -9.96384400 -11.54941300 18.28300100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=592) -2 -10.94221000 -11.47422700 17.14545800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=593) -2 32.36114900 5.13131100 -3.33998500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=593) -2 31.46762100 5.35837800 -3.70675700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=593) -2 32.91271600 5.28412000 -4.12035100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=594) -2 29.44509700 0.31270700 -7.75790000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=594) -2 30.04090800 -0.25561700 -8.26227800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=594) -2 28.56986200 -0.05437600 -8.01061300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=595) -2 27.07143800 12.73268400 13.97597400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=595) -2 26.33323100 12.18248500 14.33455200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=595) -2 27.83187700 12.15358500 14.23514400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=596) -2 -23.30433400 4.55496200 -11.61483400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=596) -2 -23.99149600 4.60199100 -10.91243900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=596) -2 -22.94960900 3.65277200 -11.44003500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=597) -2 27.45613100 10.45367100 -8.79194900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=597) -2 28.28403100 10.36390400 -9.32130500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=597) -2 26.79558600 10.44572100 -9.51753100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=598) -2 -8.90164700 12.02699900 2.25345700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=598) -2 -9.06889900 11.06042300 2.16418300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=598) -2 -9.59694000 12.23201100 2.93855300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=599) -2 18.91248700 13.73371100 13.58729800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=599) -2 18.07047500 13.81509800 14.07535800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=599) -2 19.35250800 14.57560500 13.83869800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=600) -2 7.05433200 -9.44501300 9.67311100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=600) -2 7.83941000 -9.09184800 10.11688100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=600) -2 7.22997200 -9.16287400 8.74412700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=601) -2 6.63080100 -14.04528900 9.34663300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=601) -2 7.56751900 -14.04397200 9.03896300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=601) -2 6.75819900 -13.81898900 10.29001700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=602) -2 -7.22458700 -14.64458300 19.60040600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=602) -2 -7.42095500 -15.20709000 18.82195100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=602) -2 -8.07742000 -14.72407400 20.08652600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=603) -2 1.59616300 -13.47908800 1.16416800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=603) -2 1.11889600 -14.26937400 1.50702700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=603) -2 1.98119100 -13.13931200 2.00068200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=604) -2 -8.83143000 -15.78842500 -3.91304200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=604) -2 -9.22202400 -16.18732900 -4.72801200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=604) -2 -8.93986800 -14.82809800 -4.16273000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=605) -2 -7.62319600 13.20105600 6.15635900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=605) -2 -8.41853600 13.77401500 6.09983100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=605) -2 -7.31785200 13.25275900 5.22111400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=606) -2 11.28031800 -10.41228100 -6.11628600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=606) -2 11.19165500 -10.17840000 -5.16896400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=606) -2 10.99297400 -11.36299000 -6.06823800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=607) -2 -12.12547700 7.31931600 -9.92546000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=607) -2 -12.60561700 7.64359200 -9.12908300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=607) -2 -11.70979400 6.51041100 -9.53702600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=608) -2 -26.67493900 21.04061600 -0.73589000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=608) -2 -27.10175900 20.56177300 0.01480200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=608) -2 -27.39419800 21.68923500 -0.93087400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=609) -2 13.54875300 19.44614400 3.19929500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=609) -2 13.59998100 20.29642700 3.70392300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=609) -2 13.97912800 19.74280100 2.36024700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=610) -2 -2.03961800 -14.45939700 6.87710900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=610) -2 -2.78762300 -13.88894200 6.60804700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=610) -2 -1.64212700 -14.67064800 6.01199000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=611) -2 -3.28495100 13.38895700 5.57796600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=611) -2 -2.54472300 13.30168700 6.21728700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=611) -2 -2.78120600 13.47489000 4.73989000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=612) -2 -16.61599400 27.59194600 -8.50357900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=612) -2 -17.48796500 27.56137700 -8.04629900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=612) -2 -16.30914800 28.48025300 -8.20461600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=613) -2 25.41019100 12.02806800 6.15024600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=613) -2 25.68680700 11.18345400 5.69919700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=613) -2 25.75456300 12.67386200 5.51547300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=614) -2 12.80781000 18.02474500 6.75057800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=614) -2 13.78761000 18.00214600 6.83722000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=614) -2 12.60989400 18.88790600 7.14378200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=615) -2 -19.98015000 14.05939300 -8.31008200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=615) -2 -20.46176000 13.24957600 -8.61874900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=615) -2 -20.35803100 14.11676300 -7.40081400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=616) -2 -13.65922900 11.87696900 -3.08262300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=616) -2 -12.99406400 11.15542100 -3.13087500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=616) -2 -13.64976600 12.05561900 -2.11227000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=617) -2 31.51099200 4.04888200 11.00692100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=617) -2 31.36437400 4.81544100 10.39725700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=617) -2 31.83937100 3.39041700 10.35234100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=618) -2 -15.78318300 -19.58760100 -14.05633500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=618) -2 -15.06401600 -20.22964300 -13.91785100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=618) -2 -16.21839800 -19.62143300 -13.17293100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=619) -2 -9.28137500 4.80138200 11.47624700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=619) -2 -9.40246000 5.75217700 11.74002300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=619) -2 -8.77968700 4.48556600 12.25982700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=620) -2 -17.23358200 22.67588100 -14.96618400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=620) -2 -16.79211600 23.14390900 -15.71436200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=620) -2 -16.49549300 22.07912300 -14.69604700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=621) -2 -18.61303000 -7.56766600 -11.44733000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=621) -2 -17.69724300 -7.67981200 -11.82192200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=621) -2 -18.71174700 -6.59613200 -11.61005800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=622) -2 -19.02929000 22.34253300 -12.89249400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=622) -2 -18.44960900 21.94117600 -12.20461300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=622) -2 -18.40267200 22.34550900 -13.64994800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=623) -2 12.06063100 -18.32800300 -7.98132100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=623) -2 12.68785500 -18.83242000 -8.55895700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=623) -2 12.63212600 -17.52663700 -7.82743100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=624) -2 -13.26801800 16.23586900 8.06017800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=624) -2 -14.10108800 16.22745900 7.52714800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=624) -2 -13.45326900 17.02863700 8.61836900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=625) -2 31.42639300 7.37321700 14.94308100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=625) -2 32.32417300 7.27866700 14.53889100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=625) -2 31.25905900 6.42158700 15.15326200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=626) -2 8.79502300 -8.70221100 4.80347500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=626) -2 9.76892000 -8.79823300 4.94793500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=626) -2 8.80578800 -7.80395700 4.37528200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=627) -2 10.58336600 14.61095100 11.82268500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=627) -2 10.63647300 14.36872100 10.87653100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=627) -2 10.46495100 13.72508200 12.22853500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=628) -2 11.46415300 -8.73340700 5.23315600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=628) -2 11.74897200 -9.03985800 4.34426300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=628) -2 11.94239700 -9.38433700 5.79743700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=629) -2 -3.86989000 6.43090900 8.73960700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=629) -2 -3.07211400 6.38921000 9.28919500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=629) -2 -4.22455900 7.31401600 9.00481300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=630) -2 23.74526700 -13.30547300 -4.72279700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=630) -2 24.14535500 -13.07698900 -5.60798000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=630) -2 23.25504000 -14.12270700 -5.00992500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=631) -2 4.66484100 4.66749800 8.78440500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=631) -2 3.87459000 4.20020600 8.46445800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=631) -2 5.03230800 5.01418300 7.94437900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=632) -2 -10.97753200 9.38111900 -6.23534000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=632) -2 -10.05701100 9.69299800 -6.41762600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=632) -2 -10.85201800 8.42064200 -6.45165500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=633) -2 -19.06525400 24.08026400 -9.12481700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=633) -2 -18.78998100 24.29337700 -10.03320600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=633) -2 -19.24404300 23.11811900 -9.21142700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=634) -2 27.81686700 -5.16941600 10.90865800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=634) -2 28.59976900 -4.91445400 11.46504300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=634) -2 27.83666000 -4.41916600 10.27381200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=635) -2 -20.15866700 23.67657500 4.92650600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=635) -2 -20.18193500 23.46658300 5.89942300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=635) -2 -20.17171200 24.64860300 4.97338400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=636) -2 16.87496300 -18.70763800 -1.80573300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=636) -2 16.77065600 -18.45730300 -2.76517800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=636) -2 17.85587500 -18.82566900 -1.79695400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=637) -2 -20.44042400 -13.55281600 -13.96494000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=637) -2 -20.18103800 -14.46147900 -14.27217500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=637) -2 -19.56962100 -13.10080400 -14.14971100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=638) -2 -24.76852200 -18.52869500 1.38560900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=638) -2 -24.33930400 -19.25801100 0.88560000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=638) -2 -24.14160800 -18.44644200 2.13473500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=639) -2 32.69041800 -6.38855400 -4.22112600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=639) -2 32.79456000 -6.42556200 -5.18244100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=639) -2 31.90653100 -6.98746600 -4.10842700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=640) -2 -20.62377100 3.68403900 10.45298500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=640) -2 -21.50330900 3.29032000 10.71223100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=640) -2 -20.61270500 3.39970000 9.50907100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=641) -2 -16.02280900 24.16211700 -2.15968600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=641) -2 -16.72252200 24.72179400 -1.75566800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=641) -2 -15.79867500 23.57866800 -1.42366700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=642) -2 -24.07549300 -22.99724200 0.84007500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=642) -2 -23.66218700 -23.40318500 0.03773400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=642) -2 -23.79201000 -23.62463700 1.52063400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=643) -2 23.58878900 11.48210800 -13.22293500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=643) -2 23.57903800 10.54748300 -12.92778400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=643) -2 23.87999000 11.92147200 -12.39427300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=644) -2 -20.10659100 8.49575000 -6.90295600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=644) -2 -20.45042100 9.05060700 -6.16166400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=644) -2 -20.23929000 7.60276700 -6.49835400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=645) -2 -19.51806400 21.33447800 -9.53096800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=645) -2 -18.62588700 21.32166200 -9.97258300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=645) -2 -19.72523200 20.36161200 -9.65310000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=646) -2 -18.28939600 -6.85513300 13.47413400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=646) -2 -17.79797000 -7.59869900 13.08145800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=646) -2 -17.64688700 -6.11923400 13.33611700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=647) -2 -15.55814800 30.76719000 0.34438000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=647) -2 -14.84276000 30.10638900 0.49347500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=647) -2 -16.13679600 30.53886900 1.11434500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=648) -2 15.98626300 15.29802300 -3.17521500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=648) -2 16.18808000 16.17123000 -2.76388400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=648) -2 16.71550100 14.76457700 -2.79211200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=649) -2 -18.03730200 9.22887600 1.51940100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=649) -2 -18.28991100 9.24859400 2.47360400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=649) -2 -18.93318100 9.17525100 1.11646000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=650) -2 -18.56121600 29.50249300 -14.55415700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=650) -2 -18.76302500 28.54159300 -14.62755800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=650) -2 -19.18425200 29.87276800 -15.19136600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=651) -2 18.87852900 1.98812600 11.97276600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=651) -2 19.27443400 1.97764200 12.88399200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=651) -2 18.93554100 1.03345600 11.76520400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=652) -2 -1.71020000 -17.71396500 6.21105200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=652) -2 -2.16215000 -18.55770300 6.35227700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=652) -2 -1.59762700 -17.39975200 7.13251500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=653) -2 14.05995500 -16.21370500 4.56265600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=653) -2 13.97032300 -15.24490600 4.77645800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=653) -2 13.68540100 -16.18557300 3.64522300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=654) -2 11.51526900 3.28153600 8.71596500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=654) -2 12.02962200 2.87422200 9.44623600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=654) -2 11.47270100 2.51878000 8.09591300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=655) -2 22.31461500 -10.54773800 -3.25997200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=655) -2 21.77662200 -10.89386500 -4.01917400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=655) -2 22.47750600 -9.63860900 -3.60524800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=656) -2 -9.56243600 28.14831300 -8.21424100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=656) -2 -10.51502000 27.96321200 -8.10420100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=656) -2 -9.42196700 27.81416000 -9.12674700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=657) -2 18.14859800 13.85716500 -2.06523900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=657) -2 17.78927700 13.06202700 -2.52906300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=657) -2 18.71940400 13.41067100 -1.40165900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=658) -2 -25.52537300 -17.67929500 -8.25236500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=658) -2 -25.44040600 -16.96347400 -8.93909800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=658) -2 -24.66541000 -17.56847300 -7.80175800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=659) -2 0.99278600 11.08416900 7.27545800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=659) -2 1.77662800 11.52402500 7.64631500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=659) -2 1.26463300 10.13483800 7.40099700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=660) -2 -13.19196400 11.65618800 -12.00146600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=660) -2 -13.74153900 10.93242300 -12.41215400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=660) -2 -12.84636100 11.13634600 -11.22817900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=661) -2 30.86311000 -0.02655600 17.07078100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=661) -2 31.31284300 -0.56415200 16.37847700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=661) -2 30.12455600 -0.63639100 17.28867200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=662) -2 24.20582100 -11.77968600 -15.62118200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=662) -2 24.60023400 -12.56010700 -15.18194800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=662) -2 23.36811000 -11.69914400 -15.10546100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=663) -2 -12.47629100 14.05691300 -8.15687800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=663) -2 -13.46289500 13.99071500 -8.20779200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=663) -2 -12.27764000 13.10175300 -7.96888200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=664) -2 29.89427900 5.53410900 -4.24452200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=664) -2 29.64790300 4.62013900 -3.98998100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=664) -2 29.27963900 5.67760000 -4.99766500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=665) -2 -8.49959200 -20.62852300 2.30573800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=665) -2 -8.05467100 -20.64555100 3.19622600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=665) -2 -9.14577900 -21.36227000 2.46196300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=666) -2 25.87072700 -6.04533900 12.52727200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=666) -2 26.30899100 -5.72841500 13.33424000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=666) -2 26.56035900 -5.79727200 11.85538600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=667) -2 10.77152300 -16.31069000 -9.38818700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=667) -2 11.13088400 -15.71771900 -8.68593500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=667) -2 11.07692200 -17.17650900 -9.04512200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=668) -2 -25.26189200 12.23831000 4.57379400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=668) -2 -24.78371200 11.57026200 5.13241300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=668) -2 -25.99067100 11.68125700 4.24839000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=669) -2 -13.57766700 3.89836700 -9.88270100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=669) -2 -13.81097600 3.04026500 -10.28528300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=669) -2 -14.26421400 4.47214400 -10.29685600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=670) -2 12.63123900 14.70251200 0.76305700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=670) -2 13.47428100 14.32158800 1.06003200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=670) -2 12.26513400 15.02875700 1.61561900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=671) -2 13.93880500 -16.27958800 -2.84709800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=671) -2 14.06429000 -16.93951100 -3.57135600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=671) -2 12.95230200 -16.24552400 -2.84619800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=672) -2 -6.07810000 -19.81571800 -2.18043800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=672) -2 -6.31624600 -19.55793400 -1.26883900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=672) -2 -6.19654200 -18.96707800 -2.65127300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=673) -2 -15.05805200 -23.01187100 0.75826800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=673) -2 -14.07646400 -22.94653000 0.87958200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=673) -2 -15.32989100 -22.48840600 1.56153100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=674) -2 -12.98372300 26.13107600 -14.34089200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=674) -2 -12.00240600 26.15934400 -14.28640300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=674) -2 -13.09416500 25.52656900 -15.10800100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=675) -2 0.21419700 -12.06835500 -5.27390700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=675) -2 0.78642300 -12.86696100 -5.19741800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=675) -2 -0.66274700 -12.49440200 -5.09385400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=676) -2 -11.77623700 13.71837500 -3.76253400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=676) -2 -12.31820600 14.51509300 -3.92989400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=676) -2 -12.47632000 13.05479600 -3.59595300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=677) -2 10.88661500 -18.03692600 2.94282100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=677) -2 10.31772900 -17.79165800 2.17874600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=677) -2 11.66254100 -18.39628600 2.47144600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=678) -2 -16.37414700 26.69139200 -15.69019600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=678) -2 -15.82739900 27.30475500 -15.15662700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=678) -2 -17.26957000 26.93070500 -15.38282900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=679) -2 -7.89581000 4.65436300 18.32961300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=679) -2 -8.50382000 5.39716500 18.12511000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=679) -2 -8.54061500 3.90401200 18.28019400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=680) -2 -15.33311700 16.37323100 -4.15939800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=680) -2 -15.51672900 15.69936400 -4.85737500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=680) -2 -14.36798600 16.24523700 -4.06013000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=681) -2 -11.26494000 16.70363100 15.78393200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=681) -2 -10.31208800 16.62741000 16.01649000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=681) -2 -11.62412200 15.93661500 16.27348000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=682) -2 20.93488800 15.32454400 -9.36751900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=682) -2 20.48057600 15.73949400 -8.59966200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=682) -2 20.20537000 14.81995700 -9.76184800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=683) -2 -8.45736800 -13.04295900 -13.56020700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=683) -2 -9.12615500 -12.35515100 -13.74254400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=683) -2 -8.97661200 -13.66020800 -13.00223500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=684) -2 11.33143400 -9.40125400 -8.57424900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=684) -2 11.63104200 -10.21623800 -9.00724800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=684) -2 11.29657500 -9.71724100 -7.63047500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=685) -2 -22.15100200 13.45733500 10.46176000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=685) -2 -21.94586200 13.74286100 9.54502800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=685) -2 -22.70457900 12.66355700 10.26466300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=686) -2 -22.86890800 0.50934100 -12.91403200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=686) -2 -23.37280800 0.00926500 -12.21780700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=686) -2 -22.51703200 1.23387900 -12.33968400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=687) -2 19.03459200 19.08116800 -4.79651700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=687) -2 18.68941800 19.03440900 -5.71834600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=687) -2 19.40390800 18.16043600 -4.73260600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=688) -2 -5.27329400 12.12646600 7.01688100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=688) -2 -4.74111700 12.77619700 6.50304800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=688) -2 -6.17635300 12.48791000 6.84350500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=689) -2 19.60917800 -17.67826400 -4.16777800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=689) -2 19.65342100 -18.26743000 -3.38694000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=689) -2 20.05076800 -16.87908100 -3.80092100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=690) -2 -29.68590200 -23.66525900 -7.82342300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=690) -2 -29.29650500 -23.54320100 -8.69782800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=690) -2 -29.99179000 -22.75544700 -7.61731800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=691) -2 10.02827100 -1.04706900 10.76208800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=691) -2 9.94488800 -1.93324300 11.14841500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=691) -2 9.34091100 -1.11103000 10.04557500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=692) -2 10.57966900 12.16540700 13.06948300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=692) -2 10.39924300 11.51830300 13.79883000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=692) -2 10.72038500 11.51290200 12.33429100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=693) -2 21.11372200 -7.81329500 -15.08977300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=693) -2 21.64837000 -7.31744100 -14.41779400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=693) -2 21.01081200 -8.66272700 -14.57515000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=694) -2 31.98515900 6.82092300 -1.25111200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=694) -2 32.18594600 6.19446600 -1.98010500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=694) -2 32.23250000 6.25778200 -0.47691900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=695) -2 18.15336500 -11.98543300 10.81719300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=695) -2 18.63019700 -12.82292800 10.61452200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=695) -2 18.67974900 -11.36082500 10.27451300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=696) -2 -5.12580600 8.68497900 9.53024700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=696) -2 -5.70274100 8.63499300 8.72830000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=696) -2 -5.80370800 8.49572500 10.22095400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=697) -2 -3.20040600 7.57169900 -6.94471900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=697) -2 -2.29294900 7.21783300 -7.13801800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=697) -2 -3.73133900 6.85023500 -7.36083100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=698) -2 -19.16684000 24.14657000 -6.40987200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=698) -2 -19.59340300 23.25440300 -6.40766700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=698) -2 -19.00815100 24.23288800 -7.37988900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=699) -2 18.64720300 -7.34819700 -16.22247600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=699) -2 18.30479000 -8.27062400 -16.16681400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=699) -2 19.56345700 -7.50100200 -15.88492400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=700) -2 34.22203200 10.47623200 -1.82369900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=700) -2 35.12735600 10.19499700 -1.64017500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=700) -2 33.72413900 9.94853100 -1.15620700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=701) -2 -30.18324100 -18.90964700 -0.11059000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=701) -2 -29.47461200 -19.51526700 -0.43546100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=701) -2 -29.91019300 -18.78760500 0.80767400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=703) -2 -1.96317200 0.89496800 -11.12924700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=703) -2 -1.09100600 1.34505700 -11.28603200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=703) -2 -1.64290700 -0.04186900 -11.13388700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=704) -2 9.88020200 12.87575700 -13.32743100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=704) -2 9.87324500 13.56485400 -12.62785200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=704) -2 8.93930800 12.69213400 -13.42598000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=705) -2 15.42055400 -17.46259400 -6.62905700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=705) -2 14.77378900 -16.89977400 -7.12653300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=705) -2 14.78883700 -17.85577500 -5.97336000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=706) -2 -14.26685300 14.18533800 4.83226500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=706) -2 -14.51105900 13.81502300 3.94786800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=706) -2 -14.46334600 13.37756200 5.37814700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=707) -2 -11.80440900 15.32428000 -10.43803200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=707) -2 -11.96509200 14.85739900 -9.57823900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=707) -2 -11.13938900 15.98377600 -10.12834900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=708) -2 7.34088100 -13.89732900 4.39496100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=708) -2 7.41898300 -14.65463400 5.01894700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=708) -2 8.29175100 -13.76241600 4.18648300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=709) -2 18.11653800 12.39639500 11.34389000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=709) -2 18.37669000 12.97483700 12.10014100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=709) -2 18.44699100 12.96928900 10.60046600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=710) -2 -31.76271700 -19.71602600 -3.67589500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=710) -2 -32.24120900 -20.43322000 -4.13132800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=710) -2 -31.23676100 -19.35409000 -4.42706400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=711) -2 -7.88565000 26.95535700 -6.49993000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=711) -2 -7.41028200 27.67110100 -6.04916900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=711) -2 -8.53231100 27.48430300 -7.03338000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=712) -2 9.15924800 -3.58487000 3.03174500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=712) -2 9.42591800 -2.65945100 3.25666300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=712) -2 8.32035700 -3.40361600 2.56095200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=713) -2 0.12494500 8.51497100 -4.45259700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=713) -2 0.73463100 8.50003900 -3.67186100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=713) -2 0.45892900 7.69807600 -4.90703000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=715) -2 36.81732500 -2.47307900 4.82929000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=715) -2 36.31071600 -2.54045400 5.67031500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=715) -2 36.55625800 -1.56070800 4.55839500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=716) -2 16.62180500 -5.72030300 -15.43721000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=716) -2 17.24820000 -6.41338900 -15.76946000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=716) -2 16.58678700 -6.00552300 -14.48775700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=717) -2 -29.01503200 22.69751900 1.64188200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=717) -2 -29.47577100 23.33438200 2.20663300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=717) -2 -28.07448500 22.95734200 1.80834600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=718) -2 29.49918800 2.92751800 -3.37770100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=718) -2 28.56206200 2.87091300 -3.08051700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=718) -2 29.39532400 2.58026300 -4.30047400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=719) -2 -25.07580000 -5.82703400 -4.01998600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=719) -2 -24.68909300 -5.84252000 -4.93256400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=719) -2 -24.37294800 -5.26276500 -3.59214700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=720) -2 -7.10561900 7.67426000 11.17515600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=720) -2 -8.03078200 7.52625300 11.50551100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=720) -2 -6.90748800 6.77060700 10.85141500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=721) -2 31.38980700 8.38560300 8.02716300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=721) -2 31.47165400 7.58009100 8.57325800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=721) -2 32.17272300 8.28377900 7.43995500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=722) -2 29.40683200 6.99575000 11.47737100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=722) -2 29.56522500 7.77733300 12.04193800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=722) -2 29.14124800 6.34545000 12.17077500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=723) -2 -28.73264100 -18.78828000 -13.29824000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=723) -2 -29.22901400 -17.95137500 -13.17897600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=723) -2 -28.10800500 -18.50418300 -14.01018700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=724) -2 -18.74151600 16.35481500 -9.11011000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=724) -2 -18.20811600 16.44972400 -8.28697200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=724) -2 -19.22492100 15.52117800 -8.88791400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=725) -2 -8.30071300 12.34011500 13.55528000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=725) -2 -8.99702100 11.81022400 14.02246900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=725) -2 -7.78940200 11.58435700 13.15908300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=726) -2 -19.21414200 16.56218600 2.03625100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=726) -2 -18.77031000 16.10894900 1.27806900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=726) -2 -18.51580000 16.44051400 2.71960800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=727) -2 -18.48427500 14.05886300 12.44002000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=727) -2 -19.39671900 13.70089000 12.57256700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=727) -2 -17.98601400 13.38034100 12.96691300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=728) -2 -10.68903200 12.54020600 4.11392700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=728) -2 -10.40838200 13.31453900 4.64880700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=728) -2 -11.34649400 12.13680600 4.71456700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=729) -2 -11.63212900 8.73071200 6.76329100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=729) -2 -11.59467700 8.52738600 5.80704300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=729) -2 -11.31153800 7.87190300 7.12757300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=730) -2 -12.45499400 19.40762000 11.08681700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=730) -2 -13.11722300 18.89118200 10.57366000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=730) -2 -12.56801600 19.03763800 11.96997700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=731) -2 -10.32840900 6.84523500 -6.82075900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=731) -2 -9.45512800 6.98494000 -7.26103500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=731) -2 -10.67401100 6.11512000 -7.38391000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=732) -2 -12.21323000 -21.52865700 4.96763000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=732) -2 -13.15739900 -21.55778100 5.24193400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=732) -2 -11.77326200 -21.57951800 5.84234600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=733) -2 -3.22602100 -2.85587000 20.53398200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=733) -2 -3.55503200 -2.31919700 21.29269100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=733) -2 -3.40130300 -2.22502300 19.80046700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=734) -2 2.24085000 12.03582800 -4.00006100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=734) -2 1.68246900 12.13278300 -3.18794600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=734) -2 1.55197300 12.01906400 -4.68217900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=735) -2 -14.67754200 31.66432800 -4.35880900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=735) -2 -13.92564300 31.11641700 -4.02979900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=735) -2 -14.97151000 32.04248100 -3.48848500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=736) -2 30.33161500 4.18272300 0.24373500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=736) -2 31.14918200 4.70945000 0.45897800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=736) -2 30.71410900 3.62708300 -0.48029600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=737) -2 -5.63422300 -18.90006400 13.31239400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=737) -2 -5.36940600 -18.03955400 12.89256700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=737) -2 -6.32891800 -19.16753200 12.66513100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=738) -2 7.57676600 -8.42040700 7.20491600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=738) -2 6.86071800 -7.95574700 6.70382600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=738) -2 8.12600000 -8.70609700 6.43042000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=739) -2 -24.31424400 10.29233100 6.23500700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=739) -2 -24.37346500 9.36343600 5.88786600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=739) -2 -23.50693100 10.17803500 6.79872700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=740) -2 -10.39074900 26.51788900 -0.28661400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=740) -2 -9.51576900 26.72022100 0.12323700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=740) -2 -10.07673900 25.95960200 -1.04115400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=741) -2 -0.97709600 -17.42756000 -6.59471900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=741) -2 -0.59299900 -18.20310600 -7.02771600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=741) -2 -1.91475800 -17.49451100 -6.89245500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=742) -2 7.94706600 1.91066200 13.00431200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=742) -2 7.08257400 1.50212400 12.84648600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=742) -2 7.77039600 2.82956800 12.67719100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=743) -2 28.97960800 10.90250100 14.41383000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=743) -2 29.85234300 10.96370500 14.82962900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=743) -2 28.92001500 9.92299200 14.27726500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=744) -2 -9.63919000 2.73325600 17.77000900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=744) -2 -9.94302600 3.08141600 16.90590500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=744) -2 -9.58451300 1.77319800 17.56349500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=745) -2 1.05191800 -5.45875000 -7.73615200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=745) -2 1.12164000 -4.69407700 -7.10492700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=745) -2 2.01284200 -5.51431500 -7.99180900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=746) -2 19.64639000 -14.51414400 7.05635300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=746) -2 19.64686100 -14.45014400 6.06728700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=746) -2 20.59786000 -14.26231800 7.20704600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=747) -2 33.52550100 -0.75575300 5.45594300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=747) -2 34.24053700 -0.52042100 4.81845100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=747) -2 33.57411200 0.03325000 6.04542400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=748) -2 -20.34288300 21.76746000 -6.88816000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=748) -2 -21.28117800 22.04966800 -6.99432100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=748) -2 -20.13679200 21.50399300 -7.80810900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=749) -2 -11.01088200 23.63300400 -14.44324800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=749) -2 -10.26257100 23.15009700 -14.03184600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=749) -2 -10.64427200 24.54624200 -14.44168400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=750) -2 -9.74478200 -2.50575000 22.94295800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=750) -2 -9.33057300 -1.63562600 22.77840400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=750) -2 -10.59334400 -2.25141400 23.32286900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=751) -2 -29.18558200 -12.37883400 -8.19939800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=751) -2 -28.68030400 -11.52798400 -8.23216500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=751) -2 -29.00862600 -12.70039900 -9.11135700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=752) -2 -27.47323700 -6.25292800 -5.49452400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=752) -2 -26.70971800 -6.29202700 -4.87855800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=752) -2 -27.23103000 -5.43197500 -5.99389900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=753) -2 11.92304300 1.88431500 14.33883500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=753) -2 11.47478500 1.57537500 13.50931500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=753) -2 11.11709000 2.15673900 14.84309800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=754) -2 -1.54198400 -2.09737900 14.00537900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=754) -2 -1.83510200 -1.87663100 14.92739800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=754) -2 -0.87406600 -2.79551800 14.22720400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=755) -2 28.66434600 5.56768800 -11.43232500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=755) -2 28.10750600 6.33374900 -11.18382800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=755) -2 28.20478000 5.28034600 -12.25516700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=756) -2 -0.71729800 12.91118400 0.73373800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=756) -2 -0.31757600 13.49972200 0.07117600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=756) -2 -0.01726400 12.21431200 0.78996900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=757) -2 28.04358100 -7.49327900 -2.95282000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=757) -2 28.28714800 -8.18175200 -2.28777400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=757) -2 27.47024500 -8.04969000 -3.53862100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=758) -2 -11.35505700 -22.48154800 -6.96707600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=758) -2 -11.38037900 -23.34152500 -6.48296300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=758) -2 -12.08009800 -22.60508800 -7.59501700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=759) -2 -8.74117900 -10.43008400 19.22770800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=759) -2 -8.02605800 -11.11069200 19.16624300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=759) -2 -8.31077900 -9.82471400 19.88412200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=760) -2 3.07792400 0.70726500 -12.88242600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=760) -2 2.52023000 0.19466400 -12.25784600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=760) -2 2.96012600 1.60997800 -12.51295500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=761) -2 14.05853900 21.62580600 4.71310800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=761) -2 14.67310000 22.30420600 4.36507400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=761) -2 14.63857500 21.20369200 5.38557600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=762) -2 22.03631000 -13.24710800 -2.56823000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=762) -2 22.70199200 -13.35087800 -3.29182200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=762) -2 22.00480300 -12.26708200 -2.52527000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=763) -2 -17.28614900 16.05381200 3.94933000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=763) -2 -17.62718000 16.39778700 4.80815200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=763) -2 -17.25784600 15.08716900 4.18787800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=764) -2 9.67680900 -16.95602200 0.70823100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=764) -2 10.02138900 -16.09718500 1.06502700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=764) -2 8.82161300 -16.61520800 0.33574800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=765) -2 -6.79495000 6.86505500 16.17426600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=765) -2 -6.05971500 6.93898500 16.83480500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=765) -2 -6.59710500 5.95860500 15.83602800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=766) -2 -14.70584800 28.12297200 -13.99201000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=766) -2 -14.10564700 27.34174000 -14.13953500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=766) -2 -14.02307200 28.75872500 -13.66340700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=767) -2 13.72377500 5.31923900 -21.43478100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=767) -2 13.51699500 5.95789500 -20.72548300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=767) -2 13.19261200 4.54876400 -21.13352100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=768) -2 -7.56318200 9.26523500 15.29377300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=768) -2 -8.53254200 9.09563400 15.37082900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=768) -2 -7.23045200 8.37613500 15.57748300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=769) -2 -8.86734000 19.22980100 -5.13030000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=769) -2 -9.18401900 18.75235800 -5.92758500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=769) -2 -9.32993300 18.70420000 -4.43399300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=770) -2 -12.57765400 -18.59128000 8.02979700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=770) -2 -13.30971700 -18.93919800 7.47340200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=770) -2 -13.11805600 -18.10682900 8.70343400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=771) -2 -4.76552000 -6.82519800 -10.40233200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=771) -2 -4.02102300 -6.78419100 -9.74119900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=771) -2 -4.87264000 -5.85243100 -10.54706400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=772) -2 10.99944300 7.03044700 -11.85661700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=772) -2 11.07994900 7.86856500 -12.37263300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=772) -2 11.81455700 7.10416000 -11.31111700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=773) -2 -27.09146900 23.78525200 -2.66484000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=773) -2 -26.65199200 24.13528500 -1.84946400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=773) -2 -27.90406400 23.41295600 -2.24761800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=774) -2 -14.83301200 11.90706600 6.11375100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=774) -2 -13.92645300 11.56386300 5.88984800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=774) -2 -15.06296600 11.24076900 6.81335600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=775) -2 15.17567400 5.73901300 12.72510800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=775) -2 14.61775600 5.00584900 13.06200000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=775) -2 15.95323600 5.21792900 12.40404100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=776) -2 -26.50829800 4.20499600 3.72056700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=776) -2 -25.92076800 3.68404900 4.31715900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=776) -2 -26.76654600 3.49368500 3.09138100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=777) -2 -26.32021400 22.45610700 -4.86810500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=777) -2 -26.62948300 23.09914500 -4.17287100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=777) -2 -26.72398500 21.63675300 -4.47337700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=778) -2 9.44745300 4.90456300 -16.24145700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=778) -2 9.69353700 5.74740400 -16.71089900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=778) -2 9.96494200 4.27813500 -16.81058400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=779) -2 9.24464300 -16.11216600 -6.89009000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=779) -2 10.12851400 -15.65789500 -6.99549800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=779) -2 9.07142600 -16.31829200 -7.82962600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=780) -2 35.90994000 7.50586200 2.29024700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=780) -2 35.75781100 8.19950100 2.95714500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=780) -2 34.98753300 7.38751700 1.95784600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=781) -2 -6.38371300 -3.43895900 22.04667900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=781) -2 -6.97504900 -2.84839300 21.52985100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=781) -2 -5.72338200 -2.78112100 22.36067900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=782) -2 -27.45195900 20.47375500 -3.42185100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=782) -2 -27.01555400 20.33348700 -2.55972200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=782) -2 -28.38954600 20.34494800 -3.16850800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=783) -2 23.54199500 9.23894600 -0.94630000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=783) -2 24.27277200 8.72315600 -0.55846200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=783) -2 23.64562600 9.02999300 -1.89604400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=784) -2 6.84355300 5.75779900 9.96082800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=784) -2 5.98490300 5.34966200 9.70642400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=784) -2 6.98477500 5.32904900 10.83184400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=785) -2 -23.77289800 3.21313000 -6.73198500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=785) -2 -23.14383500 3.09117800 -5.96344100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=785) -2 -23.76474800 2.28612800 -7.06838900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=786) -2 3.34914900 4.46311500 5.15668400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=786) -2 2.95562200 4.59975000 4.26475700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=786) -2 4.27712600 4.23886200 4.88424500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=787) -2 7.95134600 -15.79986900 6.26740600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=787) -2 8.39360100 -15.29992800 6.99225800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=787) -2 8.74079400 -16.23782100 5.86980600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=788) -2 -13.94009500 1.68810500 -13.70218300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=788) -2 -14.17642900 1.52158200 -12.76260100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=788) -2 -14.74622000 1.30312200 -14.13829200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=789) -2 27.74089200 -12.68334600 -10.26467000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=789) -2 26.81787900 -12.38638300 -10.10501800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=789) -2 27.73467500 -12.66917500 -11.25520400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=790) -2 -12.04500000 -15.96176400 -10.91246000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=790) -2 -12.94807200 -15.77933800 -10.59587100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=790) -2 -12.25772500 -16.50436700 -11.71637500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=791) -2 -16.83691600 -10.05554700 -14.32691000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=791) -2 -15.88078100 -10.09500600 -14.13861100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=791) -2 -17.09355900 -9.26029700 -13.83041000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=792) -2 26.96470400 3.34696400 -2.50205200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=792) -2 26.72531900 4.14974900 -3.01871100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=792) -2 27.17646900 3.77272000 -1.63691000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=793) -2 1.60784600 8.30520500 -2.24097400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=793) -2 2.15166600 7.47096800 -2.20737400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=793) -2 1.11116400 8.19875500 -1.40456300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=794) -2 12.40715700 8.13090200 -15.80909000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=794) -2 13.06719300 8.86322400 -15.78161600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=794) -2 12.88405600 7.45583100 -15.27866800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=795) -2 7.58217700 -15.44482500 -0.17251400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=795) -2 7.87887100 -14.53220700 -0.37742600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=795) -2 6.65242300 -15.40258800 -0.43488000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=796) -2 37.89763300 -4.39065800 3.21088300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=796) -2 37.69567000 -3.64345200 3.81713900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=796) -2 37.48650800 -5.12835600 3.67800100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=797) -2 -8.96717700 -15.42896500 -1.22127500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=797) -2 -8.67012900 -15.43982600 -2.16089100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=797) -2 -8.93699700 -16.40516800 -1.04027600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=798) -2 28.76326200 5.38460800 7.60274400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=798) -2 28.87742800 6.27153200 7.17861400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=798) -2 27.84385200 5.19315300 7.34399400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=799) -2 -12.15774200 5.45952200 -13.71769200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=799) -2 -11.22439300 5.55602000 -13.46596900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=799) -2 -12.05106500 4.89126300 -14.52816600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=801) -2 30.89609900 -6.67510500 2.18309000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=801) -2 30.31775200 -6.90615400 1.43116700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=801) -2 30.23465700 -6.57220300 2.89918400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=802) -2 -7.58291800 20.87220800 -3.45218200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=802) -2 -7.51994900 20.13321400 -2.79008800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=802) -2 -8.03886100 20.35427400 -4.17422000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=803) -2 34.91216700 3.26656900 5.57599600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=803) -2 35.33420200 2.97060100 4.73289800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=803) -2 35.05318000 4.22246900 5.51743900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=804) -2 -9.02179700 -23.09947200 5.20381200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=804) -2 -9.58348600 -23.00990300 4.40996700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=804) -2 -9.63205400 -22.79143600 5.90144700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=805) -2 3.47040800 -0.18759900 -3.88533200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=805) -2 4.05057900 0.38157100 -4.44274600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=805) -2 2.69207200 0.42319800 -3.81605800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=806) -2 -26.44320300 -1.64529600 6.38850300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=806) -2 -27.09922800 -2.31842700 6.62529300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=806) -2 -25.62352900 -2.21060700 6.37023900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=807) -2 -12.06289500 5.20089300 13.73653000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=807) -2 -12.57608300 5.15704700 12.89064900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=807) -2 -11.72873000 6.13876200 13.63706400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=808) -2 6.36649600 -0.74893400 -11.28884400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=808) -2 6.65574700 -1.53000100 -11.81973400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=808) -2 6.21944500 -1.19678000 -10.42231800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=809) -2 -15.49725500 29.87526800 -7.65456500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=809) -2 -14.64619500 29.75926400 -7.15908500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=809) -2 -15.14020700 30.36529700 -8.43575300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=810) -2 13.86391500 -0.01538900 14.75361900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=810) -2 14.46981300 0.50126500 15.30083600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=810) -2 13.13538900 0.63092500 14.61699100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=811) -2 -10.75057000 -17.14544200 -8.80650800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=811) -2 -11.10068000 -18.05008400 -9.02852800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=811) -2 -11.20392200 -16.64433100 -9.53119900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=812) -2 -19.40167000 -21.80174100 1.19840500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=812) -2 -20.13263000 -21.78372800 0.54420800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=812) -2 -18.64695400 -22.00728300 0.60365200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=813) -2 -16.47826900 -4.94128100 12.97641200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=813) -2 -16.57811500 -4.26965500 12.26206400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=813) -2 -15.77013000 -5.49579500 12.58619200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=814) -2 -0.61914900 -16.73180600 -0.25853900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=814) -2 -1.22989100 -17.42289700 0.08020500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=814) -2 -0.27620300 -16.37606800 0.58712200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=815) -2 -1.87168000 -15.76351800 -10.99759200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=815) -2 -2.13141600 -14.90461800 -11.38405100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=815) -2 -1.04180000 -15.48238600 -10.52646000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=816) -2 11.76642800 9.14086600 -13.33654600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=816) -2 11.66435900 8.95688100 -14.30010000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=816) -2 12.63815500 8.66377700 -13.20183800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=817) -2 22.60740600 -2.80083000 -18.31199600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=817) -2 22.48480400 -1.85594800 -18.50441400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=817) -2 21.83760200 -2.96757000 -17.72609100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=818) -2 -17.26716900 21.33398800 -11.03239300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=818) -2 -16.92273300 20.50897100 -11.45217900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=818) -2 -16.41516700 21.73086200 -10.73864800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=819) -2 26.43845000 11.74119000 8.67976300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=819) -2 26.89835900 10.94889900 8.28218600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=819) -2 25.93173200 12.00720400 7.86872600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=820) -2 -26.59213500 0.30362600 -0.27039200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=820) -2 -26.97534800 0.96366200 0.32836800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=820) -2 -27.04691500 0.49808100 -1.10783400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=821) -2 -6.05676600 0.50234100 22.54711500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=821) -2 -5.86830400 1.35348900 22.08589800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=821) -2 -7.03441600 0.49487800 22.50206000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=822) -2 -7.94623900 7.41797500 -8.06565700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=822) -2 -7.58593400 6.72587600 -8.65617700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=822) -2 -7.10059300 7.79969300 -7.72178300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=823) -2 -22.62588900 3.48541400 6.81825600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=823) -2 -21.85908000 3.00205200 7.20804900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=823) -2 -22.12925900 4.26306600 6.44401000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=824) -2 17.17529900 20.10724900 -3.04835400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=824) -2 17.89384600 19.92710400 -3.69841500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=824) -2 17.02599100 19.19861000 -2.71342000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=825) -2 11.25752600 10.45736700 11.13724800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=825) -2 12.18072500 10.81789800 11.10397100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=825) -2 11.41667500 9.56561400 10.76945900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=826) -2 25.07306600 -5.91385900 -15.05439500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=826) -2 25.23449800 -5.30697500 -14.29181000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=826) -2 24.96500600 -5.23439700 -15.76673700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=827) -2 -7.58639700 25.39638200 -8.74451600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=827) -2 -6.90994700 24.76811200 -8.35957600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=827) -2 -7.68244700 25.98170600 -7.95101400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=828) -2 -10.65155800 13.49576800 16.35865400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=828) -2 -9.68345200 13.60733300 16.47695000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=828) -2 -10.65073500 12.63784900 15.86803800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=829) -2 -16.23301800 15.64237200 14.85043100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=829) -2 -15.60689700 16.32377400 15.17517400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=829) -2 -16.74657600 16.15672600 14.20121200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=830) -2 -16.31883200 30.20463600 -13.21077000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=830) -2 -17.19236400 30.05312200 -13.64910100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=830) -2 -15.85059900 29.39332800 -13.51414500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=831) -2 -18.18149100 4.64315700 15.25114100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=831) -2 -18.36018800 5.60052200 15.26234400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=831) -2 -18.48316400 4.40951000 14.34865800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=832) -2 -23.85111200 23.75362700 2.14623800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=832) -2 -23.50710100 24.25754300 1.38080200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=832) -2 -23.03347000 23.31336200 2.45703000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=833) -2 34.94166100 -2.55056500 6.85257900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=833) -2 34.45932200 -3.40953000 6.79176500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=833) -2 34.32129100 -1.98885600 6.32355600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=834) -2 -8.71464800 -4.91882700 22.01799900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=834) -2 -9.20017000 -4.13952300 22.37607300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=834) -2 -7.79418100 -4.58840900 22.10606100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=835) -2 -31.58184300 -17.53797700 -1.93654000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=835) -2 -31.11276500 -18.00191500 -1.19441800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=835) -2 -31.87198300 -18.32825800 -2.44740400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=836) -2 -17.31742200 12.03963600 13.78487500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=836) -2 -17.86631700 11.26880100 14.05049500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=836) -2 -16.64140800 11.57120800 13.22880100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=837) -2 0.92008200 -0.67657100 11.23497800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=837) -2 0.30229300 -1.30202600 10.82210400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=837) -2 0.34423000 0.14830500 11.20822100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=838) -2 -19.00608200 -0.44666900 -1.62304700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=838) -2 -18.34515500 -0.75250500 -0.97586200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=838) -2 -18.57333100 0.36777100 -1.95461500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=839) -2 19.70704700 16.37455000 11.28454600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=839) -2 20.18713300 15.57523900 10.94070300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=839) -2 18.94705200 16.38359100 10.68452000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=840) -2 32.82316300 9.01495400 -0.04803600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=840) -2 32.47177300 8.27587400 -0.62230900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=840) -2 33.05983100 8.45045300 0.73957800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=841) -2 -9.75403000 12.68009000 -6.39250900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=841) -2 -10.55922700 12.32245300 -6.83818100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=841) -2 -9.12116600 11.95947500 -6.62466800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=842) -2 -14.05583200 28.48759900 0.60817700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=842) -2 -13.73895500 28.01911500 1.41366400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=842) -2 -14.92461900 28.05558000 0.48280800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=843) -2 8.95782000 5.27201900 14.48767900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=843) -2 9.77705100 5.72135300 14.20956200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=843) -2 9.31271200 4.45465600 14.88185000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=844) -2 -22.95868500 -12.53978600 -14.38161500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=844) -2 -22.05917700 -12.93193200 -14.45233400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=844) -2 -22.77287700 -11.80210600 -13.76875500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=845) -2 6.97405900 14.45071400 -5.36405700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=845) -2 6.00391300 14.33304900 -5.23097200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=845) -2 6.95554500 14.89199800 -6.25095400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=846) -2 13.47588800 -16.19330500 -10.32985600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=846) -2 13.55300900 -16.09172700 -9.34697500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=846) -2 12.51018100 -16.08007700 -10.42816500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=847) -2 -0.93668400 0.98196100 15.31125900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=847) -2 -0.13280300 0.47531500 15.04642200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=847) -2 -1.13068200 1.40483200 14.42769400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=848) -2 -24.77648600 6.17589800 3.06940900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=848) -2 -25.54748900 5.60002600 3.27202200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=848) -2 -24.81229900 6.80380200 3.80740800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=849) -2 10.10581500 -13.96841500 4.33137300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=849) -2 10.23968200 -14.89128300 4.65941300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=849) -2 10.40934400 -13.47284800 5.12750700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=850) -2 -9.51698700 11.53952300 -3.81350900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=850) -2 -8.62238400 11.84674000 -3.54372300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=850) -2 -9.70005700 12.16805900 -4.54196700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=851) -2 -24.39421200 -26.75482000 -4.72911200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=851) -2 -24.08362000 -26.31754200 -5.56209400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=851) -2 -23.61139500 -26.56626300 -4.16126500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=852) -2 -21.09454500 22.89355800 -11.17311100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=852) -2 -20.73309900 22.19958100 -10.57693700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=852) -2 -20.49255900 22.76611200 -11.94454000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=853) -2 -30.20324100 -18.75338300 -5.72608600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=853) -2 -29.46429000 -18.48547000 -6.33264900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=853) -2 -30.19340200 -17.94207800 -5.14562400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=854) -2 5.68258400 0.82015100 -13.37251100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=854) -2 5.89038000 0.24556300 -12.59342700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=854) -2 4.69428300 0.70564000 -13.37142800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=855) -2 -20.22948000 23.20078300 7.53459600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=855) -2 -20.74899500 23.52707800 8.31480800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=855) -2 -20.20171200 22.24394000 7.76369700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=856) -2 -17.90676200 17.13660700 -11.60348700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=856) -2 -17.35302200 16.39888000 -11.95293400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=856) -2 -18.15683200 16.74371600 -10.73160800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=857) -2 3.05749500 -5.07657700 -2.41099500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=857) -2 2.98555500 -4.29539400 -2.99809900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=857) -2 2.96114700 -4.63281100 -1.53135000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=858) -2 -5.65540500 4.94695600 19.76521900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=858) -2 -6.52381100 4.84242100 19.30713400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=858) -2 -5.25427600 5.63748600 19.19594400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=859) -2 7.58111600 12.24679100 -3.86888200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=859) -2 8.46214300 12.39796900 -3.44124100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=859) -2 7.46553900 13.12617500 -4.30031900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=860) -2 -11.69038100 10.01138100 -3.66221100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=860) -2 -11.63804300 9.72961400 -4.60700200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=860) -2 -10.88145500 10.59227100 -3.64229300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=861) -2 -12.20048200 27.30523100 -7.96399500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=861) -2 -12.83609400 26.64132400 -8.32032600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=861) -2 -11.81927000 26.77564600 -7.22193700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=862) -2 -11.97866900 13.32382500 -13.73990200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=862) -2 -11.55083400 12.69259800 -14.33583800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=862) -2 -12.41082800 12.70410800 -13.10239500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=863) -2 32.89367900 -0.44820500 12.98291900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=863) -2 32.83726700 0.52739100 12.97319700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=863) -2 33.76216800 -0.56809800 12.52893700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=864) -2 -14.89347500 -21.33584400 5.51514800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=864) -2 -14.96979300 -20.61537300 6.19332600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=864) -2 -15.77340200 -21.76609900 5.66582100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=865) -2 1.79217500 -13.16375700 -1.47865500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=865) -2 1.76862300 -13.31755200 -0.49995100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=865) -2 1.17961100 -13.88220800 -1.76263400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=866) -2 -26.87895300 -12.57798000 -0.15728600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=866) -2 -25.98747000 -12.44881000 -0.56771400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=866) -2 -27.01445000 -11.65263000 0.17168300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=867) -2 9.43728000 2.58092600 15.20476000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=867) -2 8.90108200 2.29694600 14.42959800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=867) -2 8.87610000 2.28902100 15.93591200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=868) -2 -8.30835700 -0.04887100 12.47331000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=868) -2 -7.74999800 -0.26633800 11.68595500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=868) -2 -7.67055600 0.50690100 12.96918600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=869) -2 16.04320500 20.28766100 6.05681000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=869) -2 16.42600100 20.08260500 5.17772600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=869) -2 16.01315500 19.39446200 6.45393100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=870) -2 35.44753800 -5.91951200 0.28070300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=870) -2 34.90229300 -5.80241700 -0.52302400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=870) -2 34.82904200 -6.42613700 0.84536900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=871) -2 -13.04704500 11.38092900 14.57045000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=871) -2 -13.86904700 11.87923400 14.74855300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=871) -2 -13.41431800 10.56076500 14.17779100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=872) -2 -2.31059800 -1.25278500 16.41984700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=872) -2 -1.91521700 -0.36421300 16.34550400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=872) -2 -2.86497200 -1.15740100 17.21266000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=873) -2 -0.58839600 -7.51606800 -7.51417600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=873) -2 0.00544400 -6.72322700 -7.61158600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=873) -2 -0.16281800 -8.11978100 -8.14306600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=874) -2 -20.49232700 9.20141900 0.23838900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=874) -2 -20.85897300 9.11222500 1.16065200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=874) -2 -21.14511400 8.66862000 -0.24577100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=875) -2 -25.39936000 22.15375900 -7.38058900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=875) -2 -25.80185300 22.31382600 -6.49244200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=875) -2 -25.99822300 21.48034900 -7.72974300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=876) -2 13.61187400 -11.06557900 9.31108900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=876) -2 13.34236200 -10.43303700 9.99882300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=876) -2 14.34282800 -11.53440200 9.80460600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=877) -2 27.81632100 1.27338400 15.40772600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=877) -2 27.69139900 0.29008700 15.34634500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=877) -2 27.01838200 1.55048500 14.90241200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=878) -2 -17.35705900 13.61526800 5.04495400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=878) -2 -17.25666900 12.68928600 4.73462800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=878) -2 -16.98947100 13.53233700 5.95126800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=879) -2 -8.02686600 22.64519000 -1.33438100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=879) -2 -8.04711400 21.87675700 -0.70566700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=879) -2 -7.84326200 22.14027300 -2.16495400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=880) -2 -21.51491800 8.99132800 10.37168800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=880) -2 -21.19768400 9.42286400 11.20305200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=880) -2 -21.11145400 8.10187000 10.49107400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=881) -2 -26.62385400 16.74180700 -0.55969200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=881) -2 -26.53640300 16.01149200 -1.18774900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=881) -2 -25.83206900 16.59229300 0.00792500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=882) -2 24.86892500 -12.00701200 4.98854300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=882) -2 24.48194600 -12.71508200 4.41285200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=882) -2 24.62598200 -12.37744100 5.86969400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=883) -2 16.00505500 3.91068100 -21.70081700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=883) -2 16.48425300 4.33660500 -20.95435800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=883) -2 15.21479200 4.49968700 -21.74539200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=884) -2 10.71028300 12.96318800 -0.06031100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=884) -2 11.43772000 13.60891900 0.10551700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=884) -2 10.19793800 13.08799200 0.77144700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=885) -2 -15.35481800 10.97065700 12.37489900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=885) -2 -15.10635900 11.19248900 11.45797900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=885) -2 -14.72759000 10.24252600 12.56623600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=886) -2 -1.84662600 -10.22194700 15.05218700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=886) -2 -1.99216200 -11.19928600 15.08269300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=886) -2 -0.90811600 -10.22559300 14.73154400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=887) -2 21.69757000 0.16673600 15.71659800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=887) -2 21.80371000 -0.62454400 15.15648300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=887) -2 22.51755500 0.16271600 16.22619700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=888) -2 -10.94793600 25.29667400 2.11415600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=888) -2 -10.93573600 25.76341800 1.24402700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=888) -2 -10.12224300 24.76745000 2.01268800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=889) -2 25.68732000 -13.47050000 12.30297900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=889) -2 25.15363700 -13.24874400 11.51828100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=889) -2 25.49219000 -12.70397800 12.88136400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=890) -2 6.37096000 3.41501600 -10.01971800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=890) -2 6.10632200 3.56774600 -10.95693200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=890) -2 7.05660800 2.72054500 -10.16352500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=891) -2 -4.48622100 -10.94361700 15.00421400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=891) -2 -3.68281800 -10.40459700 14.83476300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=891) -2 -4.08886900 -11.84310200 14.94284600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=892) -2 -29.79267700 -14.19994700 -6.36384600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=892) -2 -29.69487700 -14.93572200 -7.01422500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=892) -2 -29.57383300 -13.44313800 -6.97390300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=893) -2 -6.56145400 -0.20097500 -13.15363300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=893) -2 -6.76967300 0.58053000 -13.70015900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=893) -2 -7.30418900 -0.13887600 -12.49633900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=894) -2 -18.02029400 7.50530000 14.77091700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=894) -2 -17.04357400 7.41097300 14.78421200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=894) -2 -18.18536900 7.28217500 13.81995500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=895) -2 25.23332900 -10.15193200 10.18910500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=895) -2 24.92751300 -11.03885700 10.46579300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=895) -2 25.24022100 -9.68763200 11.05559400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=896) -2 11.46221900 6.30324000 13.46932000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=896) -2 12.06378100 6.85268900 12.90156700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=896) -2 11.61599900 6.78802300 14.32818300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=897) -2 -14.10689600 -15.17602800 18.05776900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=897) -2 -14.08659400 -15.99370600 18.60909200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=897) -2 -13.33330700 -14.70497700 18.44113700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=898) -2 20.03990400 -14.18474000 4.39313500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=898) -2 19.82025700 -13.24711700 4.20370900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=898) -2 19.77045800 -14.58548400 3.52529400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=899) -2 9.31160300 10.93589500 3.17276100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=899) -2 9.33398300 11.87087300 2.89234200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=899) -2 9.94332100 10.53608300 2.54923200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=900) -2 -25.44905700 -10.40219100 -10.09495500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=900) -2 -25.55395400 -11.28548700 -10.52622300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=900) -2 -24.52024200 -10.20406700 -10.39644200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=901) -2 27.94410000 5.81787600 -6.15478400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=901) -2 27.68215700 5.02095800 -6.67471900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=901) -2 27.79433600 6.51046500 -6.84329500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=902) -2 -26.64542800 -9.88433300 0.37743200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=902) -2 -27.28696900 -9.16281800 0.30571800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=902) -2 -25.81735400 -9.36689700 0.53742700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=903) -2 34.03301600 1.29879600 7.16286300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=903) -2 33.49524700 1.81436100 7.79660100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=903) -2 34.37494600 2.03953800 6.59763600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=904) -2 -12.41127800 19.60220800 6.42991200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=904) -2 -11.51991000 19.50598700 6.04560800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=904) -2 -12.19283400 19.88788200 7.33889300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=905) -2 33.48727100 -7.25698800 1.76294700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=905) -2 32.56196700 -6.99987400 2.01957800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=905) -2 33.87433500 -7.32251600 2.67112400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=906) -2 -26.40576000 23.06943200 2.18458100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=906) -2 -25.47902100 23.43021800 2.27174000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=906) -2 -26.24523800 22.19581700 2.62863800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=907) -2 2.57257500 -15.34845400 10.70006900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=907) -2 1.98686500 -15.46035700 9.90313200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=907) -2 2.75803300 -16.28153900 10.89629300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=908) -2 -22.93087700 13.16036400 0.90625300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=908) -2 -22.22194500 13.67982400 0.45988500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=908) -2 -22.67835700 12.25910800 0.65460500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=909) -2 13.54419700 -18.18852900 -4.80452000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=909) -2 12.61331600 -18.09573400 -5.11723200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=909) -2 13.39837200 -18.90179100 -4.12734600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=910) -2 9.28829700 -6.47367400 8.10555100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=910) -2 8.59662300 -7.12986500 7.89109900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=910) -2 8.75921900 -5.64977600 8.12869900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=911) -2 -27.85417600 -16.07883700 -10.47190800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=911) -2 -27.82559100 -17.07806500 -10.55095600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=911) -2 -26.86450200 -15.95343500 -10.32754000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=912) -2 12.18859600 7.60051100 15.68083900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=912) -2 13.03235300 7.10385000 15.82511500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=912) -2 12.53893100 8.51969300 15.78743400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=913) -2 -25.98847800 24.33222500 -0.27643600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=913) -2 -25.09175200 24.67055900 -0.08024900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=913) -2 -26.21427000 23.91382900 0.57849500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=914) -2 -1.76595300 12.79238600 3.36440900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=914) -2 -2.05589400 11.90902200 3.01994700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=914) -2 -1.40533700 13.16316600 2.52520400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=915) -2 19.20350100 -17.19549300 -9.00729400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=915) -2 19.79182300 -17.21587700 -9.79371000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=915) -2 19.65571000 -16.51449000 -8.46888400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=916) -2 -6.30364700 10.87569200 -5.40827400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=916) -2 -5.50105900 10.59771300 -4.89323400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=916) -2 -6.64439200 11.55982100 -4.78391100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=917) -2 24.10394000 -12.78696100 10.08918800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=917) -2 24.16125300 -12.71471200 9.10615200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=917) -2 23.46542600 -13.52930200 10.15899900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=918) -2 1.46018600 -0.35759300 -10.94833700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=918) -2 1.80083200 -0.76269400 -10.13009800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=918) -2 0.64025600 -0.88177100 -11.08183400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=919) -2 26.70772400 -9.39026800 -4.38605900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=919) -2 26.05871900 -10.06821700 -4.07869700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=919) -2 26.55372100 -9.45866800 -5.36031900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=920) -2 -11.00553900 26.08554200 -5.77086100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=920) -2 -10.22321400 25.59755000 -5.42057600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=920) -2 -11.56818200 25.32187600 -6.03367800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=921) -2 -21.72848300 22.33968200 3.20407100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=921) -2 -21.21857500 22.81028600 3.90504600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=921) -2 -22.24906700 21.72126000 3.76714800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=922) -2 -4.88796500 -7.87770700 20.97047800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=922) -2 -3.96325900 -8.17810000 20.79530900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=922) -2 -4.71327100 -6.91867100 21.12225800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=923) -2 30.19060700 2.38018900 16.02114000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=923) -2 30.53362800 1.57991400 16.49273400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=923) -2 29.28753800 2.03379300 15.79515000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=924) -2 -18.74166500 10.79493100 -7.69187100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=924) -2 -19.60879600 11.11897300 -8.04140100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=924) -2 -18.99307200 9.85756000 -7.51549900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=925) -2 12.59456500 -17.23464700 6.57061100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=925) -2 13.13218700 -17.98519200 6.86601100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=925) -2 13.15636200 -16.89273300 5.83211200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=926) -2 -20.58700800 6.68368500 -14.59244500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=926) -2 -20.05557200 5.96416600 -15.00621800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=926) -2 -21.48516200 6.28018200 -14.67680400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=927) -2 -13.58016000 8.67077500 -7.98990000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=927) -2 -13.54502800 8.87550900 -7.03345100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=927) -2 -14.42563200 8.15846500 -8.01909800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=929) -2 -30.05710400 -24.65079300 -5.33584000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=929) -2 -29.63964000 -25.55033900 -5.30937600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=929) -2 -29.91411000 -24.44953200 -6.29458400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=930) -2 23.63152000 -7.80342100 -16.39672900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=930) -2 22.70939100 -7.81787900 -16.06994400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=930) -2 24.03196200 -7.16044400 -15.76977700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=931) -2 -23.33668800 25.18718500 -0.14207700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=931) -2 -22.60318700 25.81614700 0.05004300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=931) -2 -23.38233300 25.25774200 -1.10889300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=932) -2 -15.48784300 4.19113900 13.06752900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=932) -2 -16.02923000 3.77428200 12.35474500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=932) -2 -14.72231900 4.49235800 12.52182200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=933) -2 -28.70992600 18.44632500 -0.45482300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=933) -2 -27.98469100 17.77492200 -0.50661000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=933) -2 -28.46633300 18.87798900 0.39393400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=934) -2 0.40904600 -3.21412300 -9.35667400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=934) -2 0.55414600 -4.06324800 -8.89331900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=934) -2 1.07306600 -2.65115300 -8.90087600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=935) -2 -9.23390300 22.35650700 -12.82115800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=935) -2 -8.75531200 22.71278900 -12.04026000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=935) -2 -10.07150700 22.07219700 -12.39945400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=936) -2 -25.88054300 0.95391800 7.14199300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=936) -2 -26.07022200 1.30510400 6.25332700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=936) -2 -26.08988600 0.00319800 7.00406700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=937) -2 21.50748900 15.09044300 -1.80936600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=937) -2 20.68681700 15.62940800 -1.88516600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=937) -2 21.80234100 15.32963700 -0.91897200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=938) -2 -28.36922100 -23.43094300 -3.60604600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=938) -2 -28.97138400 -23.93960000 -4.20351300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=938) -2 -29.03758300 -22.83581800 -3.18703700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=939) -2 24.29142300 -0.96077500 -12.58394700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=939) -2 24.95831700 -1.32032600 -11.97043900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=939) -2 23.46658100 -1.30936500 -12.18306500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=940) -2 23.76653900 12.13602500 12.13898600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=940) -2 22.79128400 12.10434900 12.32091200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=940) -2 23.79132000 13.01141500 11.67534500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=941) -2 3.23068000 -1.98732000 11.92483900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=941) -2 2.44649200 -1.46260300 11.64204100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=941) -2 3.59691000 -2.22296800 11.04553100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=942) -2 -25.95982500 4.71586900 -6.62388300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=942) -2 -25.19915300 4.08359200 -6.67711100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=942) -2 -26.67230200 4.07262600 -6.39020700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=943) -2 23.44275700 16.10107300 13.15345000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=943) -2 24.33565200 15.67736400 13.23721800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=943) -2 23.64859900 16.99641200 13.45830300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=944) -2 -3.40342300 4.72887600 16.68212600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=944) -2 -3.76269400 3.81302200 16.72548500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=944) -2 -2.59588400 4.54193300 16.13177500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=945) -2 -9.64414800 -14.82219500 -11.81339600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=945) -2 -9.20217900 -14.97305000 -10.94681200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=945) -2 -10.54105500 -15.17029800 -11.59707000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=946) -2 14.49913400 6.20259500 15.52248000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=946) -2 14.11069300 5.35960700 15.19573300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=946) -2 15.10720000 6.40622600 14.78869200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=947) -2 -4.81843800 -4.04905200 -10.76978800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=947) -2 -3.84468100 -3.95651500 -10.91380600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=947) -2 -5.05178600 -3.08567000 -10.72159900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=948) -2 -17.19919200 1.78421900 -17.18134600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=948) -2 -18.16629700 1.79874800 -17.06700200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=948) -2 -16.96917500 2.69379200 -16.88361700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=949) -2 22.31412400 11.54408400 -0.44117600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=949) -2 22.73245600 11.73690000 0.44291900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=949) -2 22.77263900 10.67769900 -0.61711900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=950) -2 -3.23501400 -16.87531200 -13.08741300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=950) -2 -2.66554900 -16.66390200 -12.31218700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=950) -2 -2.73783400 -17.59834000 -13.49180500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=951) -2 -24.07852700 -5.36033600 1.04634900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=951) -2 -24.10722800 -4.59366800 1.66328400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=951) -2 -23.20241500 -5.72877000 1.27686700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=952) -2 -8.48126200 10.28417200 -6.96057200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=952) -2 -7.67223900 10.45888100 -6.41964200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=952) -2 -8.15373000 9.54901800 -7.51487300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=953) -2 -21.17318100 11.64697400 -8.57038400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=953) -2 -21.34937600 10.77119200 -9.00288000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=953) -2 -21.87358200 11.62293700 -7.88058300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=954) -2 27.17169300 -13.89955900 -7.93142700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=954) -2 27.62284400 -13.52516000 -8.73192000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=954) -2 26.55039000 -14.51494400 -8.39486200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=955) -2 -12.28331000 -19.28027000 14.32871300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=955) -2 -12.02798500 -20.07156700 13.79303600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=955) -2 -11.95060500 -18.57951000 13.70529700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=956) -2 20.69706800 -16.99647100 -11.36013400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=956) -2 19.86156900 -16.57706200 -11.72167400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=956) -2 20.94362400 -17.49719900 -12.18134600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=957) -2 3.39631000 9.85183200 -0.11182900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=957) -2 4.30142400 9.54670200 0.12061200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=957) -2 3.49515200 9.93140800 -1.08467900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=958) -2 26.73975200 -11.23702100 -1.37043700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=958) -2 26.57782000 -12.13865900 -1.06033900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=958) -2 26.10456800 -11.18528600 -2.12315400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=959) -2 -3.76359400 -17.06675200 9.91730300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=959) -2 -4.22789100 -16.83123800 10.76175300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=959) -2 -4.57268700 -17.14665400 9.33460300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=960) -2 3.78861900 3.85635000 -9.23599600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=960) -2 4.75899200 3.73220900 -9.32935700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=960) -2 3.70167800 3.86663900 -8.26269400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=961) -2 29.19912000 -10.39802900 -4.11773000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=961) -2 28.28091600 -10.03290300 -4.20595800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=961) -2 29.13411200 -11.09429600 -4.82086100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=962) -2 25.57125300 10.10435400 -10.85259800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=962) -2 24.80637700 9.65358300 -11.29102200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=962) -2 25.18602400 11.01423500 -10.78815100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=963) -2 -10.10603000 -23.12566900 -3.41084900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=963) -2 -9.17789200 -22.80683700 -3.36630700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=963) -2 -10.02512500 -23.92555600 -2.82740600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=964) -2 7.60759500 4.45814600 12.26705200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=964) -2 8.51547000 4.60140400 11.86782700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=964) -2 7.78489400 4.90206000 13.13655700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=965) -2 -20.40156100 21.52819700 0.99854700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=965) -2 -20.85675200 21.67626600 1.85861400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=965) -2 -19.54215300 21.17623800 1.31586000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=966) -2 -8.20252000 -9.27777000 -12.91289500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=966) -2 -7.61420400 -8.47762500 -12.88389200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=966) -2 -7.50417200 -9.95345000 -12.68639400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=967) -2 -6.69786700 -17.57317700 -3.78352200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=967) -2 -7.17915700 -18.10812900 -4.47385000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=967) -2 -7.36584100 -16.85388500 -3.67945600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=968) -2 -14.75891000 4.31862500 -13.89140400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=968) -2 -14.44739000 3.38453200 -13.92532300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=968) -2 -13.89528400 4.78199400 -13.92869400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=969) -2 -25.25330700 18.13519700 2.80323600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=969) -2 -25.17742900 17.49231900 3.55386100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=969) -2 -25.25761000 17.48594500 2.05701300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=970) -2 -10.34243900 -25.38077400 -2.05045800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=970) -2 -10.75293200 -25.45197100 -1.15860900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=970) -2 -11.01473200 -25.87104700 -2.57702600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=971) -2 1.11400800 -15.70347800 8.51871300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=971) -2 1.31075300 -15.89088000 7.57348500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=971) -2 0.18048300 -16.01656100 8.55802300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=972) -2 -9.31784200 -14.88173600 13.02408100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=972) -2 -9.63342500 -15.37165100 13.81160300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=972) -2 -8.52391800 -15.43072400 12.80185200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=973) -2 -15.59011300 1.77501400 18.41703200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=973) -2 -15.80242400 0.85259000 18.14064500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=973) -2 -15.40591600 1.61454100 19.37298300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=974) -2 32.22307100 2.11860400 9.17042200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=974) -2 31.91151000 1.18445400 9.11581800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=974) -2 31.58693100 2.52149100 8.51671200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=975) -2 3.66291400 9.95883900 -2.91278200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=975) -2 3.24421900 10.71768700 -3.38300700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=975) -2 2.87651100 9.37366500 -2.81580000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=976) -2 -15.22691500 13.15156500 15.18463700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=976) -2 -15.98738600 12.67169900 14.77464400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=976) -2 -15.60184600 14.07079900 15.14068500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=977) -2 36.62334900 4.85678000 2.03667100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=977) -2 36.52305700 5.83181400 2.11438100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=977) -2 36.09309100 4.70147800 1.21933500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=978) -2 -18.84400400 4.14809900 12.55568000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=978) -2 -18.13112800 3.70908800 12.02634900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=978) -2 -19.61042900 3.96005400 11.96524200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=979) -2 -14.29016400 1.40069900 20.78746100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=979) -2 -13.69212700 2.13638500 21.03529000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=979) -2 -13.63533000 0.72966000 20.50935100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=980) -2 -6.78097500 -2.62070400 -14.31015300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=980) -2 -6.33638300 -2.42794300 -15.14951900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=980) -2 -6.66752500 -1.75513400 -13.84571800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=981) -2 -28.11814300 -18.00721700 -7.29226400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=981) -2 -27.21444800 -17.75058200 -7.59401700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=981) -2 -28.63329900 -17.26206100 -7.68716500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=982) -2 23.57394700 14.65450000 -9.16820100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=982) -2 23.70324500 14.81009500 -8.20785000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=982) -2 22.61530800 14.88116200 -9.24597300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=983) -2 35.70928100 -0.10792700 3.96075300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=983) -2 35.58017000 -0.08367400 2.97690700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=983) -2 36.00194200 0.82676700 4.08536400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=984) -2 -19.55422700 30.11600300 -5.79279800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=984) -2 -18.59181800 30.34611200 -5.67275200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=984) -2 -19.85097100 30.90670200 -6.26970900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=985) -2 -1.11810200 9.86588100 -2.17315700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=985) -2 -0.99697500 9.46172000 -3.05680700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=985) -2 -0.86089400 9.11056600 -1.59964700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=986) -2 -26.21118200 -3.09608700 -12.18996400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=986) -2 -26.75442800 -2.90589900 -11.39998100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=986) -2 -25.96224400 -4.03749400 -11.98621000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=987) -2 6.57329300 -10.05528500 3.95737500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=987) -2 6.21642900 -9.16131200 3.73909400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=987) -2 7.45942400 -9.78012900 4.30104200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=988) -2 7.85127600 1.06963200 -14.93181300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=988) -2 8.35048500 0.36219300 -14.45486200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=988) -2 6.98317500 0.97971200 -14.45925100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=989) -2 -5.78320700 8.67119700 -7.08158600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=989) -2 -5.80056100 9.47204500 -6.51984100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=989) -2 -4.83886500 8.41932900 -7.00251900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=990) -2 -5.80811100 -13.12807700 -13.92889500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=990) -2 -6.77726900 -13.15144500 -13.69371400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=990) -2 -5.88461900 -12.98982100 -14.88774200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=991) -2 17.59496200 4.79818100 -19.64979700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=991) -2 17.40326100 5.21591200 -18.76973000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=991) -2 18.34620600 5.34410400 -19.93182000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=992) -2 -10.31086800 17.72126400 -6.97760200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=992) -2 -11.19118100 18.06788900 -6.70508900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=992) -2 -10.41370200 16.78207400 -6.67321700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=993) -2 22.99270600 10.74395500 6.39791400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=993) -2 23.77994300 11.33211200 6.45990500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=993) -2 23.46072800 9.89720700 6.15883900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=994) -2 29.75344900 -3.98862400 12.36837400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=994) -2 29.53580700 -3.42753200 13.15204800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=994) -2 30.46967200 -3.42867100 11.97890300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=995) -2 13.37987800 7.69891900 12.09020300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=995) -2 13.79849100 8.48864500 12.50944800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=995) -2 14.10645600 7.04333400 12.24103100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=996) -2 5.63169000 3.45578400 -12.66892200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=996) -2 5.65625700 2.50741700 -12.94641100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=996) -2 6.33800900 3.80327900 -13.26709800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=997) -2 -16.13681800 15.25912700 -12.53726500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=997) -2 -15.44737600 14.81638800 -11.97510400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=997) -2 -16.52922300 14.47645400 -12.95994500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=998) -2 -12.43840900 10.95566400 5.52796500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=998) -2 -12.17419100 10.27351700 6.20018800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=998) -2 -12.27916500 10.40094900 4.71521000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=999) -2 -23.45085700 11.16682200 9.88851500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=999) -2 -23.22488900 10.45826500 10.52667500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=999) -2 -23.00066000 10.79570900 9.08478100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1000) -2 -2.89863500 -6.46815500 -8.53504400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1000) -2 -2.10115900 -6.93591200 -8.19842900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1000) -2 -2.92724800 -5.72145700 -7.88892600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1002) -2 -19.87396800 1.70219700 -16.07406400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1002) -2 -20.05474300 0.73774700 -16.23084700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1002) -2 -19.34899000 1.60170000 -15.22792400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1003) -2 -20.62193900 -5.20827100 -14.09823900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1003) -2 -20.03045900 -5.28255800 -13.31431900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1003) -2 -20.02988100 -4.66860200 -14.68231900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1004) -2 -8.66698700 -15.31281100 -9.27913600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1004) -2 -9.37533800 -14.67484600 -9.01507700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1004) -2 -9.11736600 -16.15316700 -9.03833600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1005) -2 10.85186700 5.85777600 9.03252700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1005) -2 10.05027500 5.90987400 8.47337000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1005) -2 11.13021900 4.92609000 8.83527300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1006) -2 -24.74174900 -1.37294300 0.69759500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1006) -2 -25.45603700 -0.78800200 0.32919600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1006) -2 -24.82639900 -2.12175300 0.05765100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1007) -2 -21.15099600 8.85587800 2.76016500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1007) -2 -21.54522000 8.16510600 3.35193100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1007) -2 -20.37897700 9.10884700 3.31648800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1008) -2 13.02237100 -15.74432600 2.10778900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1008) -2 13.54004300 -15.06777600 1.61842000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1008) -2 12.11193700 -15.39185400 1.96804700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1009) -2 -0.77533700 -7.14213900 18.62121800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1009) -2 -1.35711800 -6.36522800 18.82916800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1009) -2 -1.34967300 -7.57982800 17.94451900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1010) -2 -18.79488400 -7.47128900 16.02678100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1010) -2 -18.61233900 -7.17808900 15.09600600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1010) -2 -18.25927800 -8.30390700 16.01708800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1011) -2 -25.96981600 -20.23930300 -9.17682900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1011) -2 -25.79430100 -19.30707300 -8.90474900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1011) -2 -26.60954500 -20.49489600 -8.47537000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1012) -2 -27.12040200 -2.55628600 -9.60613100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1012) -2 -26.19976400 -2.89205700 -9.47402800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1012) -2 -27.37543700 -2.46141900 -8.64688900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1013) -2 4.63371400 -7.19444300 -1.62450800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1013) -2 5.39171100 -6.61587800 -1.37218800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1013) -2 4.07601500 -6.50891100 -2.07909400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1014) -2 -20.41518200 -0.91499300 -16.19644400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1014) -2 -20.94265100 -1.20101100 -15.41128800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1014) -2 -20.68960700 -1.60996000 -16.83549500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1015) -2 13.49250400 0.98750000 -18.97314300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1015) -2 12.67196400 0.81619800 -18.44341000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1015) -2 14.06998600 0.29537200 -18.54274000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1016) -2 36.11912300 2.53136000 3.26756600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1016) -2 36.41172900 3.38371700 2.85102400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1016) -2 35.97425500 2.00377900 2.45019900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1017) -2 20.92730300 7.88914500 -12.42083600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1017) -2 21.01773600 6.90802300 -12.37356800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1017) -2 20.46835400 7.95905300 -13.29592000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1018) -2 -2.67088300 -16.70407000 13.46188700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1018) -2 -2.61007400 -17.69196800 13.36327800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1018) -2 -3.55480400 -16.58160700 13.02221000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1019) -2 -22.36258600 7.78722500 -4.27104500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1019) -2 -21.72017600 7.13060600 -4.61836400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1019) -2 -23.18137000 7.23813800 -4.28650000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1020) -2 23.30142600 11.89986400 1.98987400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1020) -2 22.69311700 11.86553700 2.77110900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1020) -2 24.15538400 11.78315900 2.42542000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1021) -2 9.22721300 -4.36715200 -14.85603100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1021) -2 10.16936300 -4.29302300 -14.59128600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1021) -2 8.88107300 -4.90526800 -14.11005300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1022) -2 19.44921900 -14.20175400 9.83367700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1022) -2 20.38116800 -14.46627500 10.01320000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1022) -2 19.43155400 -14.33201400 8.85854000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1023) -2 -5.58737000 3.28506400 -10.94840300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1023) -2 -4.71548200 3.50539600 -11.37475300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1023) -2 -5.35594800 2.37500700 -10.63466600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1024) -2 20.65727300 15.84466500 13.75456300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1024) -2 21.61832100 15.88259200 13.57954200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1024) -2 20.31268100 16.19201300 12.89809200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1025) -2 21.64599300 -14.24350100 1.50330500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1025) -2 21.52359800 -13.83915200 0.63412900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1025) -2 20.71905600 -14.51935400 1.71194600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1026) -2 14.88988100 -4.76155000 15.76226200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1026) -2 15.70842800 -5.12123500 15.36211500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1026) -2 14.67185500 -4.05323900 15.11773800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1027) -2 12.71548900 13.46510600 14.19073600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1027) -2 13.36953200 13.05842500 13.56763900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1027) -2 11.89556000 13.03114200 13.85538200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1028) -2 -15.42871300 15.94237400 6.52854900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1028) -2 -16.01978600 15.27101200 6.95129500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1028) -2 -15.07632300 15.38524900 5.78980400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1029) -2 1.79688600 7.64708100 4.03175000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1029) -2 2.40761000 7.61304000 4.79828900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1029) -2 1.96607100 6.76261400 3.63969500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1030) -2 -18.04505900 25.52181800 -1.02548700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1030) -2 -18.74154500 25.90434600 -1.61437800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1030) -2 -18.62462200 24.94719400 -0.46453000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1031) -2 17.43305200 10.66115700 13.31571500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1031) -2 18.38788300 10.41602700 13.36090200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1031) -2 17.47021400 11.23063300 12.50389100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1032) -2 -17.75036500 -14.43733500 -16.35190500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1032) -2 -18.46006300 -14.92452700 -15.87168100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1032) -2 -17.73746600 -13.61138300 -15.81279900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1033) -2 -28.27192800 -20.58726700 -0.98360800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1033) -2 -27.63171600 -20.25861200 -1.65840800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1033) -2 -27.68388100 -21.24302700 -0.52431000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1034) -2 -22.30746300 2.49628400 -14.84817900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1034) -2 -22.55805900 1.71018700 -14.32431600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1034) -2 -21.54243800 2.15050000 -15.34727900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1035) -2 0.23111400 -15.27503100 -2.40156300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1035) -2 -0.00600000 -15.83531400 -1.61791200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1035) -2 -0.44263900 -15.61971000 -3.03651000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1036) -2 -15.82062200 27.31450800 3.77179500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1036) -2 -15.05253400 27.18851200 3.17066400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1036) -2 -15.34488300 27.30031300 4.63417000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1037) -2 5.90486700 5.67575400 6.52381700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1037) -2 6.83002000 5.89921100 6.74443700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1037) -2 6.04370700 5.08547800 5.74700300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1038) -2 -11.75658900 26.09268200 -11.16257800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1038) -2 -12.09774200 27.00512000 -11.14944200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1038) -2 -10.80864500 26.25904800 -10.94862100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1039) -2 12.35808700 11.79148800 -13.33264400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1039) -2 12.09963600 10.84262300 -13.23902700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1039) -2 11.45830700 12.17871100 -13.47913900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1040) -2 12.47555200 3.35294900 -19.95193900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1040) -2 12.91763000 2.48846200 -19.77115900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1040) -2 11.74005600 3.29063500 -19.30149100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1041) -2 -26.41856800 0.16616900 4.29683500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1041) -2 -25.42695500 0.17184000 4.28178100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1041) -2 -26.56009800 -0.58181700 4.91697200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1042) -2 -10.22594100 -18.30302200 -13.81490200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1042) -2 -9.84501500 -19.16138800 -13.58558200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1042) -2 -9.45588900 -17.71015300 -13.62481100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1043) -2 -10.21088800 8.64461100 15.49617800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1043) -2 -10.15058500 7.85906600 16.08659400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1043) -2 -10.68354800 8.22836400 14.73008000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1044) -2 -25.20388500 12.21897800 8.05570500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1044) -2 -25.04969200 11.45346600 7.46053200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1044) -2 -24.73621300 11.90329900 8.86024300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1045) -2 -22.80588800 -5.91336900 -12.56919100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1045) -2 -22.06927000 -5.71800400 -13.19394800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1045) -2 -22.39856500 -6.66012300 -12.07250900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1046) -2 -30.11876300 -16.72038600 -4.03087600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1046) -2 -30.38696500 -15.78097200 -4.15476800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1046) -2 -30.68985000 -16.94769300 -3.25739500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1047) -2 -8.30737800 15.53552600 3.29268800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1047) -2 -7.57402800 14.88653500 3.34790700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1047) -2 -8.66028200 15.32048300 2.40236800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1048) -2 -10.18869600 -10.75627200 -13.85105400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1048) -2 -10.81478900 -10.49712600 -13.13909900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1048) -2 -9.41978300 -10.17769700 -13.59007800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1049) -2 -1.48370100 12.22976900 7.26109900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1049) -2 -1.99950200 11.71300200 7.91207700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1049) -2 -0.58779800 11.85403900 7.40345200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1050) -2 13.57215200 18.33743000 -5.46938100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1050) -2 13.65547200 18.60269700 -4.52488800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1050) -2 14.03475700 17.46770100 -5.43023800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1051) -2 -23.27203700 3.90942700 2.89933100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1051) -2 -23.79032500 3.49484100 3.62250900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1051) -2 -23.74184000 4.77276600 2.83176000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1052) -2 -27.08255600 -17.50859500 -15.01529300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1052) -2 -27.31957000 -16.56290200 -14.91340600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1052) -2 -26.12606400 -17.41929100 -15.23138700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1053) -2 -7.74411900 27.42164600 -1.67799700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1053) -2 -8.07529900 26.54336500 -1.97024800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1053) -2 -7.56102700 27.22631000 -0.73479600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1054) -2 18.77081600 -0.06256000 -18.48128000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1054) -2 19.72085200 -0.04109900 -18.21976800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1054) -2 18.76186800 0.68841000 -19.11903300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1055) -2 -24.49336100 16.25514200 1.03549400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1055) -2 -24.51707000 15.43192400 1.58112100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1055) -2 -23.51719200 16.38864200 0.99781600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1056) -2 11.84119700 -3.66543200 -14.26289000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1056) -2 11.72596200 -2.89749100 -14.86574000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1056) -2 12.72853500 -3.98122300 -14.57612500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1057) -2 23.50583000 14.55386600 10.89772200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1057) -2 22.54893800 14.50769700 10.62597100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1057) -2 23.41366300 15.21182800 11.62883200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1058) -2 29.41026300 9.61176000 -10.49937000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1058) -2 30.08923000 9.33281200 -11.14835300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1058) -2 28.71231300 8.94919400 -10.69828600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1059) -2 -5.27397100 2.72901000 21.22432600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1059) -2 -5.51516400 3.56448700 20.74989000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1059) -2 -4.30861800 2.76893600 21.15778000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1060) -2 -18.94739700 10.01460900 14.70373000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1060) -2 -19.19432500 10.13378700 15.63393800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1060) -2 -18.61638800 9.08077800 14.73093200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1061) -2 -24.96928600 4.83038400 -9.44481300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1061) -2 -25.42254800 5.04095900 -8.60269000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1061) -2 -25.09637300 3.84430700 -9.44782000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1062) -2 9.10479600 -14.19605200 8.15739000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1062) -2 9.54572200 -13.48238200 7.64071800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1062) -2 9.91203100 -14.73203600 8.38298100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1063) -2 21.27249800 -0.31191700 -17.46452500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1063) -2 20.94775300 -1.20028100 -17.17679100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1063) -2 21.64403800 0.00184100 -16.60963500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1064) -2 35.91406100 -1.78003100 -0.00695500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1064) -2 36.59559800 -2.49555400 0.06720700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1064) -2 35.36577700 -2.17457400 -0.73134100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1065) -2 -17.84910400 -18.22800200 -15.26335600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1065) -2 -17.11187000 -18.78734000 -14.92561300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1065) -2 -17.34706200 -17.67318500 -15.90458300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1066) -2 -7.87473300 18.85798300 -1.62030200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1066) -2 -7.76723600 17.94907600 -1.24118700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1066) -2 -7.89797000 19.37613300 -0.78403500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1067) -2 16.45336000 22.77751400 3.77960900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1067) -2 16.66262500 23.12343400 2.90048200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1067) -2 16.69503100 21.82700300 3.66359900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1068) -2 2.25436100 -10.51712000 -1.91035500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1068) -2 3.16174900 -10.41100100 -1.54906500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1068) -2 2.11439300 -11.47679900 -1.73373800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1069) -2 -19.39383500 4.30084400 -15.14926200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1069) -2 -19.66026900 3.58089100 -15.76702900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1069) -2 -19.51834500 3.81560600 -14.29441200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1070) -2 9.32315100 -5.53596600 -10.07668100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1070) -2 10.26625400 -5.48145500 -9.80645000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1070) -2 9.14770500 -6.48345200 -9.87281900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1071) -2 -8.62923400 23.92821200 1.27119500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1071) -2 -8.48675500 23.50607600 0.39668300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1071) -2 -8.27046100 23.21192100 1.85409700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1072) -2 -13.49261500 -7.76224700 -14.83901700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1072) -2 -13.88749600 -8.47449900 -14.28258400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1072) -2 -12.83537600 -8.31574800 -15.33660500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1073) -2 -15.22101200 12.68664100 2.65525600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1073) -2 -14.77082400 11.97819900 2.12170000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1073) -2 -15.55079300 13.24154100 1.91527600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1074) -2 -11.55235900 -19.20066000 3.74317600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1074) -2 -11.89965000 -20.05113100 4.10384800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1074) -2 -11.14269300 -18.84596900 4.57285200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1075) -2 -19.13803700 -3.53240600 -15.64074700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1075) -2 -19.67146300 -3.50305600 -16.46495900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1075) -2 -19.00104400 -2.58090800 -15.48658000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1077) -2 28.78842300 5.50466400 13.67393300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1077) -2 28.59447300 4.63381700 13.26313600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1077) -2 29.53582700 5.23263100 14.26576000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1078) -2 -11.09220700 -20.38529900 9.44130100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1078) -2 -10.64518300 -19.77964100 10.08582900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1078) -2 -11.65568000 -19.72469100 8.97629400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1079) -2 24.40632300 11.70538600 -3.45462400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1079) -2 24.78194500 12.37706600 -4.07904600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1079) -2 23.51328400 12.10193700 -3.32389700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1080) -2 -23.02053000 5.77011900 -7.04602400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1080) -2 -23.25048900 4.80642400 -7.10909900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1080) -2 -23.58874400 6.00272700 -6.27218300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1081) -2 -7.99591500 20.09843300 -13.71986200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1081) -2 -7.61462500 20.29567400 -14.58265800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1081) -2 -8.46782000 20.93518700 -13.51638600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1082) -2 -27.69789800 -18.67469300 -10.80211400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1082) -2 -28.04912900 -18.93442400 -11.68238300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1082) -2 -27.16622900 -19.45384900 -10.57321200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1083) -2 -6.03370500 23.59038900 -7.61573000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1083) -2 -6.23413200 23.20558500 -6.74054600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1083) -2 -5.99556800 22.78586500 -8.17048200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1084) -2 14.83470000 -0.86494600 -17.57076000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1084) -2 14.75670600 -1.19956900 -16.65156600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1084) -2 15.64741400 -1.36790500 -17.84355200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1085) -2 -4.42925400 -5.20922600 21.30130300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1085) -2 -5.25015400 -4.77827100 21.63500900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1085) -2 -3.87593900 -4.40759100 21.16055800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1086) -2 6.40697400 -9.45543600 1.14800100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1086) -2 6.23721400 -8.69878700 1.76267400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1086) -2 6.66200100 -10.13645300 1.80359600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1087) -2 0.25587600 9.37213500 2.71548300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1087) -2 0.85244500 8.70142800 3.14898600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1087) -2 0.35789900 10.09228500 3.39846500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1089) -2 -17.31458800 -22.17138600 -0.55207600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1089) -2 -16.88962400 -21.31760700 -0.74500700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1089) -2 -16.56397300 -22.63583900 -0.10418100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1090) -2 -20.47278400 8.71967900 6.22416900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1090) -2 -21.00382600 8.12940600 5.62586000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1090) -2 -20.19092400 8.04911900 6.88686200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1091) -2 -26.63502600 -19.59334400 -2.94328300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1091) -2 -27.08520900 -18.70906100 -3.00083400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1091) -2 -25.79635300 -19.29370800 -2.50943000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1092) -2 -24.05101800 -0.78887000 -10.89556400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1092) -2 -24.08800000 -1.66866400 -10.46348900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1092) -2 -24.93923900 -0.44847700 -10.67683900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1093) -2 -15.11067800 13.82256200 -8.67361900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1093) -2 -16.02832300 13.44606800 -8.77284000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1093) -2 -14.88551300 13.89980300 -9.63129500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1094) -2 -13.03461300 19.58895800 -13.70613000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1094) -2 -12.15373000 19.14519100 -13.79990200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1094) -2 -13.58543400 18.77822800 -13.55216400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1095) -2 -27.53524800 2.62188000 -5.93566300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1095) -2 -28.33565100 2.27676200 -5.48466900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1095) -2 -27.43678000 1.92373300 -6.63145300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1096) -2 -22.89963600 2.45496000 10.99060100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1096) -2 -23.43032100 2.45242300 10.14731300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1096) -2 -23.50939600 1.97745100 11.57051400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1097) -2 27.38481300 12.01999000 -6.53345500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1097) -2 27.43470600 11.58114400 -7.41819300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1097) -2 27.40156100 11.19978300 -5.96920900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1098) -2 25.13500500 -6.46789100 -18.32381200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1098) -2 24.51773100 -6.96220700 -17.74719300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1098) -2 25.05212400 -5.56987500 -17.95181700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1099) -2 -23.17149500 -25.20356500 -6.60250400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1099) -2 -22.29214700 -25.11986700 -7.04202400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1099) -2 -23.10833100 -24.44522700 -5.97805100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1100) -2 -17.00972200 30.84546300 -5.63510100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1100) -2 -16.25941100 31.21803600 -5.11636500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1100) -2 -16.50921900 30.51796100 -6.42051700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1101) -2 -13.71389900 -17.64379300 19.15070300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1101) -2 -13.15715600 -18.23134300 19.67450200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1101) -2 -13.48202400 -17.92750500 18.23556500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1102) -2 -2.29671500 -8.56564200 20.45667900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1102) -2 -1.90546500 -9.44298000 20.36166800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1102) -2 -1.67390900 -8.01873700 19.93304300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1103) -2 25.50298500 7.99442000 -5.48716400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1103) -2 24.83189500 8.29576500 -4.84007900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1103) -2 25.20885200 7.07781700 -5.64444200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1104) -2 -10.06497700 -16.70436300 14.87534600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1104) -2 -10.49873500 -17.12203000 14.08111700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1104) -2 -9.20558700 -17.18643000 14.84838000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1105) -2 -29.13397800 0.43504800 -5.19264100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1105) -2 -28.70614400 0.40604500 -6.07966300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1105) -2 -29.60698000 -0.43911200 -5.23323100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1106) -2 -22.76735600 12.03589300 -6.34476200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1106) -2 -23.66167400 12.36912400 -6.19559500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1106) -2 -22.22852200 12.83384700 -6.14835700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1107) -2 35.06909200 -0.64773700 8.79439200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1107) -2 34.76496800 0.05589800 8.17504100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1107) -2 35.12299400 -1.40332100 8.16280000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1108) -2 27.24987100 4.83440400 -13.65007100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1108) -2 27.20277500 4.11232200 -14.29881700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1108) -2 26.39838200 4.64935800 -13.15100000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1109) -2 8.49725400 -14.47678900 -4.89245700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1109) -2 8.65285700 -15.15807100 -5.59060600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1109) -2 7.52851700 -14.46020100 -4.87185400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1110) -2 -20.92327500 14.62263100 -0.21769100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1110) -2 -20.64201200 14.58679600 -1.16754300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1110) -2 -20.02298600 14.63663000 0.19178500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1111) -2 -10.78421600 19.35120200 4.15042400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1111) -2 -10.72632700 18.55177900 3.59663800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1111) -2 -11.67711900 19.67419800 3.92193500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1112) -2 22.97777000 -16.85585200 7.72469300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1112) -2 22.63523900 -16.55136800 6.85941800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1112) -2 23.91067900 -16.99711400 7.52343000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1113) -2 -13.62366900 27.01177600 5.50437200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1113) -2 -13.42879100 26.08011500 5.78063300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1113) -2 -13.26381500 27.49341800 6.26523000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1114) -2 -17.44517800 -22.20119100 5.63811800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1114) -2 -17.84977600 -21.68424200 4.90258300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1114) -2 -18.11569900 -22.87739600 5.78301900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1115) -2 17.11734200 -15.43356800 7.59192400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1115) -2 18.05939100 -15.32019300 7.33734200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1115) -2 16.86215800 -16.15994800 6.97386800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1116) -2 16.02051300 17.84349900 -7.11725800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1116) -2 15.30014100 18.45858000 -6.88764600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1116) -2 15.70350600 17.02885100 -6.66769500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1117) -2 -7.19270800 10.05656800 12.70172000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1117) -2 -7.19399800 9.65210800 13.59544800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1117) -2 -7.07914900 9.25887200 12.14608400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1118) -2 10.48330800 1.16153500 12.19078600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1118) -2 9.55901900 1.43442900 12.38824000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1118) -2 10.29689700 0.34062500 11.66800300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1119) -2 -30.95118000 -14.09884800 -4.01934000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1119) -2 -31.46460800 -13.28218100 -4.13296100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1119) -2 -30.46958000 -14.10457500 -4.89727400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1120) -2 15.85144700 -17.89518600 0.51247700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1120) -2 16.61278200 -17.31359500 0.75506600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1120) -2 16.19988000 -18.23972800 -0.34998700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1121) -2 30.75231800 6.04078200 9.38976900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1121) -2 30.23164600 6.47708100 10.11130700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1121) -2 30.01797300 5.80373200 8.78252600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1122) -2 -11.64998100 1.19399400 -14.99923000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1122) -2 -11.62820800 0.21789600 -14.91372900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1122) -2 -12.49964700 1.37297300 -14.51671200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1123) -2 7.77852400 -7.61964200 -0.40677200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1123) -2 8.09499300 -7.98795500 -1.26355300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1123) -2 7.44350900 -8.43235100 0.01935800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1124) -2 33.57543100 1.84739800 -0.20581100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1124) -2 32.96534600 1.34089900 0.38634800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1124) -2 32.91356300 2.16522500 -0.86723900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1125) -2 -16.76792600 27.74251400 -0.06153200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1125) -2 -17.07214700 26.84204900 -0.32285100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1125) -2 -17.52829700 28.00357300 0.51197500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1126) -2 -8.01570000 3.70729100 13.67704600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1126) -2 -7.49157400 2.91483300 13.40401500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1126) -2 -7.45830300 3.98502800 14.45085200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1127) -2 6.28936300 -2.10305200 -8.89963800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1127) -2 6.11431200 -2.92357800 -8.35466500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1127) -2 5.68867800 -1.48976100 -8.41110800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1128) -2 33.81284200 1.93657200 11.61665200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1128) -2 33.41747400 1.99768200 10.72544400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1128) -2 34.42097300 1.17633900 11.49090500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1129) -2 28.93364000 -2.03924000 16.87945200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1129) -2 29.06017900 -2.13847600 15.89729500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1129) -2 28.00812600 -1.71773800 16.87054700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1130) -2 -7.02796200 12.57673700 -3.32422900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1130) -2 -7.06514800 13.51574400 -3.07775000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1130) -2 -6.21802600 12.30482500 -2.81402300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1131) -2 1.59579800 -14.39683500 -4.69682500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1131) -2 1.20332300 -14.75068300 -3.86665900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1131) -2 2.49521400 -14.16306100 -4.35682600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1132) -2 20.53217500 9.53264800 -10.38284200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1132) -2 20.63114800 8.88084300 -11.12579400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1132) -2 21.07407600 9.06944500 -9.70478400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1133) -2 -20.20645600 6.52829700 10.44140800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1133) -2 -20.04831000 6.58888300 9.46255700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1133) -2 -20.48496200 5.58715600 10.49195200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1134) -2 -28.20069900 -5.08714400 -8.72993600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1134) -2 -27.69465600 -4.69075400 -7.97680900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1134) -2 -28.15058200 -4.35895700 -9.37056000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1136) -2 -9.78877000 14.77429100 5.37703300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1136) -2 -9.26487000 15.20159700 4.65310400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1136) -2 -10.56969900 15.36960300 5.38330700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1137) -2 -4.28858500 -9.80670100 -10.50129600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1137) -2 -4.23073100 -8.85983400 -10.74380300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1137) -2 -4.61616400 -9.69435300 -9.56040900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1138) -2 -28.59381400 -26.89318400 -5.12332900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1138) -2 -28.11028300 -27.60873800 -5.58374000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1138) -2 -28.02651700 -26.80306400 -4.32150200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1139) -2 24.10257400 12.42697700 -10.69722100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1139) -2 23.13216200 12.28858300 -10.51347600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1139) -2 24.19766900 13.29891300 -10.23262900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1140) -2 -16.06095100 18.49198200 6.08012900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1140) -2 -15.93109200 17.54532800 6.34453000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1140) -2 -15.27177700 18.59332900 5.50362100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1141) -2 -11.84410200 11.50870300 -7.68069500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1141) -2 -11.95501600 11.06494500 -8.55538300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1141) -2 -11.70457500 10.70593700 -7.11920500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1142) -2 2.02188400 -9.85715600 3.69595800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1142) -2 1.54003500 -9.63455300 4.51232100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1142) -2 2.01558900 -10.83531200 3.73037700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1143) -2 -7.87401800 13.59703300 15.96376000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1143) -2 -7.36489400 12.88239600 16.43764000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1143) -2 -7.89448400 13.17231200 15.06952500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1144) -2 27.01175900 -12.47174300 -12.86597800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1144) -2 27.06317800 -11.67355600 -13.44586300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1144) -2 26.37155200 -13.00751500 -13.38197600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1145) -2 -14.52490200 -25.46499500 -0.45316600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1145) -2 -14.86049300 -24.67303100 0.02831400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1145) -2 -14.63670100 -25.13726200 -1.38289300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1146) -2 14.32655600 -4.28718900 -14.98492500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1146) -2 15.08131500 -4.85646900 -15.26078900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1146) -2 14.73567700 -3.40271300 -15.08973200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1147) -2 -15.21121800 21.17881600 -13.88670500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1147) -2 -15.75525400 20.51098800 -13.39435700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1147) -2 -14.40253600 20.62211600 -14.02728000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1148) -2 -6.31500800 -19.74141200 9.29835700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1148) -2 -6.80509100 -19.43431000 10.10185000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1148) -2 -6.11413200 -18.84721300 8.90566000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1149) -2 15.20584000 20.17880500 1.15198900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1149) -2 15.05091700 20.52943900 0.23477800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1149) -2 15.70847400 19.35289300 0.88661500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1150) -2 18.97325500 -8.51524100 14.99513300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1150) -2 19.27503700 -7.66282600 14.58379000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1150) -2 18.74354800 -9.01586800 14.19925000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1151) -2 21.46801600 5.24142100 -12.06089700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1151) -2 21.24849200 5.28658400 -11.10189700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1151) -2 21.50677100 4.28268400 -12.19578200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1152) -2 10.54637300 10.22840600 14.96039300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1152) -2 11.48710100 10.28420300 15.24716700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1152) -2 10.34715100 9.30620400 15.18249400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1153) -2 -6.71918000 -12.13542100 18.70225800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1153) -2 -7.09743800 -12.55703200 17.88164800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1153) -2 -6.65771100 -12.96073400 19.25198000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1154) -2 -5.67093000 -16.51767300 -11.83346600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1154) -2 -5.23365500 -16.82903800 -10.99913500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1154) -2 -4.94551600 -16.72392500 -12.46626500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1155) -2 1.80012300 -16.16589700 5.89448100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1155) -2 2.51241600 -15.53019700 5.62299400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1155) -2 2.23264400 -17.00577400 5.66569400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1156) -2 34.86146300 4.24180300 0.07467400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1156) -2 33.99690000 4.68510500 0.22984300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1156) -2 34.54534600 3.32630400 -0.09991200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1157) -2 10.56781300 -14.63426500 1.75015200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1157) -2 10.37168800 -13.81064100 1.25841900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1157) -2 10.29421500 -14.35738700 2.65808200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1158) -2 -4.72438300 11.91913800 -2.13945200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1158) -2 -4.08710700 11.73514700 -1.41905400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1158) -2 -4.43566300 11.24382600 -2.79739200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1159) -2 -2.95462000 -19.34823500 12.99799300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1159) -2 -3.05153100 -19.65940000 12.06590100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1159) -2 -3.89702500 -19.40552700 13.27882700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1160) -2 -17.53997000 -9.56594800 12.55961000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1160) -2 -18.49318900 -9.50027000 12.27737300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1160) -2 -17.19565900 -10.09485400 11.80863400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1161) -2 -14.16467000 14.02269800 -11.21668300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1161) -2 -13.29830000 14.43386600 -11.00167400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1161) -2 -13.84772500 13.13003800 -11.50953600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1162) -2 -27.77721400 -20.65588000 -7.15174400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1162) -2 -27.90868900 -19.67324000 -7.18604800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1162) -2 -28.72337900 -20.93421700 -7.15250300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1163) -2 29.44297700 13.09618300 0.81810800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1163) -2 30.13468500 12.42451800 0.62750400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1163) -2 29.96921700 13.90302600 0.86583800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1164) -2 8.13067900 -3.96437500 7.68321300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1164) -2 7.67931300 -3.82731900 6.80861100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1164) -2 9.05522700 -3.75418800 7.40035200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1165) -2 -18.45023200 -20.88436000 3.51876300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1165) -2 -18.97409900 -20.04436200 3.50190700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1165) -2 -18.82389800 -21.29621400 2.69275300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1166) -2 9.97604400 14.61775800 -11.20833400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1166) -2 10.00401000 15.22130100 -10.42898700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1166) -2 10.94097700 14.39171400 -11.25913300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1167) -2 -22.98355900 -6.98708200 10.01917100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1167) -2 -22.31435500 -6.35965800 9.63932700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1167) -2 -23.04722600 -6.61564700 10.91865800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1168) -2 25.48115800 13.52219500 -5.16594500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1168) -2 26.09858100 13.11863400 -5.81461500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1168) -2 25.03653100 14.18545400 -5.73691300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1169) -2 20.79885700 -15.63603100 -2.86855300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1169) -2 20.64690700 -15.88901200 -1.93040700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1169) -2 21.22489400 -14.75388700 -2.72883300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1170) -2 -18.49972100 23.56976900 2.69739200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1170) -2 -18.17044600 22.67715100 2.44289600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1170) -2 -19.01044700 23.34432300 3.50292400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1171) -2 21.47872700 4.23055200 14.18448100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1171) -2 20.81057500 4.66499500 13.61119600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1171) -2 22.28291300 4.70228100 13.91249100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1172) -2 0.35190900 11.25919300 4.57466800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1172) -2 0.63144200 11.33377400 5.50756000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1172) -2 -0.14822800 12.08235200 4.45271400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1173) -2 17.08308300 7.51248000 -15.00856400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1173) -2 18.01959200 7.73114800 -14.81790600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1173) -2 16.63424200 8.22820900 -14.50859800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1174) -2 31.44723500 -2.09410900 11.43208200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1174) -2 31.96472300 -1.57165000 12.08672800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1174) -2 31.51106900 -1.51148900 10.65476900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1175) -2 11.24941000 3.32778000 -17.49541000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1175) -2 11.36198300 2.36193200 -17.34758000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1175) -2 12.09033700 3.66102400 -17.10866200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1176) -2 18.50136100 -16.12312000 -12.57356500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1176) -2 18.53579300 -16.12325700 -13.56195900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1176) -2 17.53597500 -16.20231100 -12.43522600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1177) -2 -8.05218300 -13.22892600 16.68078500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1177) -2 -8.05398100 -14.20606100 16.77523300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1177) -2 -8.98797100 -13.02824500 16.88498200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1178) -2 34.33092400 -6.88684400 4.31930600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1178) -2 34.23056000 -5.95145100 4.03173900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1178) -2 34.12908800 -6.80393400 5.26558800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1179) -2 -29.10142200 -4.29800300 -4.31153600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1179) -2 -28.43751600 -4.26603300 -3.57780500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1179) -2 -28.82731000 -5.13910800 -4.73404200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1180) -2 16.56811800 -17.76447600 -9.15915100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1180) -2 17.55028600 -17.63562000 -9.12087600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1180) -2 16.36186700 -17.69462500 -8.20181000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1181) -2 -8.09926000 -15.91361100 17.25111800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1181) -2 -9.00978100 -16.24839500 17.37752500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1181) -2 -7.79772000 -16.49093400 16.51681200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1182) -2 0.81041200 -0.63822900 13.97578500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1182) -2 -0.05097800 -1.10666600 13.88365300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1182) -2 0.98388400 -0.44016600 13.02581900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1183) -2 -14.56683800 9.58646000 -12.97934800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1183) -2 -15.36048600 9.27826700 -13.43875000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1183) -2 -14.19366100 8.72404200 -12.66930800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1184) -2 -16.63383000 17.60409300 10.56339800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1184) -2 -17.37734800 17.30744400 9.97848500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1184) -2 -16.99886500 17.31372400 11.43120100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1185) -2 -9.15859500 -20.87547400 -6.87875500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1185) -2 -9.87175900 -21.48114100 -7.18827900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1185) -2 -8.47169800 -21.54956100 -6.64655000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1186) -2 -4.16220200 10.05484300 -4.01283300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1186) -2 -4.03607500 9.12610300 -3.68959000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1186) -2 -3.35525000 10.10314200 -4.59650600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1187) -2 -7.43513300 -22.65586000 -5.84348800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1187) -2 -6.90306600 -23.45193200 -5.73063500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1187) -2 -7.45553800 -22.30847200 -4.92083600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1188) -2 -29.91973000 20.09680700 -2.10559600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1188) -2 -30.68278000 19.57698300 -2.39940500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1188) -2 -29.49483000 19.43909000 -1.48882800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1189) -2 -2.20123300 -4.06559800 -11.51212900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1189) -2 -2.44513300 -4.64735700 -12.27504200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1189) -2 -1.49547200 -4.59552700 -11.10876900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1190) -2 1.32698800 -3.25732000 -6.28517000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1190) -2 1.65886000 -2.51220000 -6.82377400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1190) -2 1.84193600 -3.12279300 -5.45827600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1191) -2 -3.51840000 10.60150000 8.37586800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1191) -2 -4.00729400 9.98158300 8.96359000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1191) -2 -4.25685700 11.21346400 8.13843700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1192) -2 25.10755700 -8.67414500 12.49634300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1192) -2 24.40971600 -8.61988300 13.19586800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1192) -2 25.43660500 -7.74673000 12.52784000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1193) -2 -22.74157300 5.08820600 -14.25609700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1193) -2 -22.64240600 4.15830200 -14.58263400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1193) -2 -23.18814800 4.90749400 -13.40031900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1194) -2 14.81747500 -20.38848800 -1.04678500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1194) -2 14.84603100 -20.08235200 -0.13080700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1194) -2 15.58126100 -19.91248300 -1.43479800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1195) -2 -24.55642900 2.82271500 5.02668000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1195) -2 -23.89150400 3.03145700 5.72541200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1195) -2 -24.27546200 1.89097000 4.82446600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1196) -2 -3.02338600 3.34450800 -11.83723900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1196) -2 -2.20864700 3.77571600 -12.13559600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1196) -2 -2.69390000 2.43710400 -11.65221900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1197) -2 22.49237900 -4.15132900 -12.45361400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1197) -2 22.76431800 -4.14913100 -11.50124600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1197) -2 22.17611000 -3.22621500 -12.52712100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1198) -2 24.18749400 -9.94383200 3.42350500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1198) -2 24.03640000 -10.44243700 2.60559900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1198) -2 24.49958700 -10.67351000 4.01614100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1199) -2 29.80205500 -7.25259400 -0.33123700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1199) -2 29.42182000 -8.11949100 -0.61823300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1199) -2 30.75577800 -7.44003900 -0.52418400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1200) -2 -14.08217000 17.03804800 15.80079100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1200) -2 -13.18011600 17.41443100 15.77105900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1200) -2 -13.87126700 16.14937700 16.18170600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1201) -2 -23.36838900 18.15630400 6.03020500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1201) -2 -23.42138700 17.57088100 6.83246100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1201) -2 -23.88830400 17.57322800 5.41339800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1202) -2 22.17617300 -14.87546900 9.57082000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1202) -2 22.20894300 -14.44602400 8.67078000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1202) -2 22.44442700 -15.78351200 9.29820800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1203) -2 21.51658800 12.06456400 -10.14791500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1203) -2 21.07101000 11.19305100 -10.23825100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1203) -2 20.77734600 12.66414000 -10.37635700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1204) -2 29.17584100 2.29327700 -5.92683000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1204) -2 29.39132200 1.56340900 -6.55548600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1204) -2 28.50309200 2.77223200 -6.46111300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1205) -2 22.30807900 17.49094600 -7.44737200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1205) -2 22.03429800 18.41280100 -7.20976100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1205) -2 21.42680400 17.04951100 -7.33772500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1206) -2 -15.96436400 -0.79711700 17.45372400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1206) -2 -16.35037600 -0.43128900 16.61638300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1206) -2 -16.60532500 -1.55007900 17.57501800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1207) -2 26.97426300 -0.68700900 -8.31963900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1207) -2 26.48551900 -1.28950600 -8.94357500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1207) -2 26.87319200 0.15126000 -8.86118900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1208) -2 -6.94545300 -19.20717700 0.43480200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1208) -2 -6.23919000 -18.79378600 0.97999400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1208) -2 -7.32904300 -19.82674700 1.09472900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1209) -2 -1.19534600 -15.24003500 15.15010900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1209) -2 -1.73484700 -15.76945400 14.50391700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1209) -2 -1.13240500 -15.88122600 15.87531300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1210) -2 -19.33733400 -4.94350400 16.98488900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1210) -2 -20.25689800 -5.12371700 16.70884000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1210) -2 -18.93586600 -5.82642900 16.81203500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1211) -2 -11.77307400 9.11645900 3.74000000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1211) -2 -12.39968500 8.81426900 3.03452300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1211) -2 -10.97691300 9.27240000 3.19031000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1212) -2 24.93811900 -11.23460800 -3.41123400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1212) -2 24.73084600 -12.05855200 -3.92481800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1212) -2 24.00847200 -10.94857000 -3.22752800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1213) -2 21.92858800 -0.09027900 -14.79900000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1213) -2 22.14900000 0.52765100 -14.07455900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1213) -2 21.18872200 -0.58789600 -14.40272700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1214) -2 -7.62003900 21.89913400 2.77608900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1214) -2 -6.70708400 21.70036700 3.04923800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1214) -2 -8.10024600 21.57826400 3.59151800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1215) -2 27.73200900 4.78344700 -0.34072000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1215) -2 27.43570100 4.96496400 0.58065400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1215) -2 28.67154700 4.53559500 -0.15653600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1216) -2 6.28394400 -3.44268100 2.65761600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1216) -2 6.43831900 -4.26692800 2.13721700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1216) -2 5.44755600 -3.14060800 2.21618000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1217) -2 8.60004800 -8.61078700 -2.79852800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1217) -2 8.36080400 -7.99316900 -3.51938100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1217) -2 9.21866100 -9.20329800 -3.24891700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1218) -2 -4.39518700 0.96605000 -9.99311600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1218) -2 -3.51066700 0.91564800 -10.44038000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1218) -2 -4.09638900 1.31784800 -9.11904100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1219) -2 25.13524500 -1.76449900 -9.95956900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1219) -2 24.51819300 -1.00994200 -9.86604800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1219) -2 24.51615100 -2.50726400 -10.08136100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1220) -2 13.39696100 -4.83808800 18.00900200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1220) -2 12.78908600 -4.19802700 17.62215700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1220) -2 14.04591000 -4.94277400 17.27170900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1221) -2 -20.48428800 -7.57854300 7.63273800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1221) -2 -20.63545000 -6.75211300 8.15032600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1221) -2 -19.80515200 -7.26784700 7.00361900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1222) -2 -24.30259200 -3.21384000 6.29028200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1222) -2 -23.81361400 -2.65279900 5.62750300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1222) -2 -23.58540400 -3.85042400 6.50328800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1223) -2 27.58253300 7.52393700 -13.66215900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1223) -2 27.48701600 6.55366000 -13.83001600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1223) -2 26.80424800 7.83838400 -14.19340300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1224) -2 -15.62354700 6.90582000 13.44433200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1224) -2 -16.36736600 6.95660700 12.80182900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1224) -2 -15.53979900 5.92631600 13.51326200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1225) -2 15.51158800 17.61346700 6.79545600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1225) -2 15.42718900 17.51299600 5.81285600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1225) -2 15.63448600 16.67612700 7.04478700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1226) -2 -27.61237900 0.27376400 -2.92426600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1226) -2 -28.26406800 0.36567100 -3.65875100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1226) -2 -27.53334300 -0.69363200 -2.87981800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1227) -2 13.27791400 -13.40238700 7.96594900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1227) -2 14.27236400 -13.44160000 7.94422700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1227) -2 13.19370400 -12.62235100 8.57488700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1228) -2 -9.70451300 -14.68015500 20.73468900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1228) -2 -10.13157900 -14.34894300 21.53343500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1228) -2 -10.42904900 -14.58263900 20.07637100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1229) -2 -22.83149800 -18.40077200 3.46472600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1229) -2 -23.03695900 -19.18093500 4.00264600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1229) -2 -22.56135800 -17.76487600 4.17195400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1230) -2 13.26917500 4.24277000 14.08708200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1230) -2 12.85100500 3.35643500 14.16829500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1230) -2 12.49589700 4.77702900 13.81542300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1231) -2 -20.74845600 26.18393500 -8.49975400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1231) -2 -20.11702500 25.44847700 -8.67561900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1231) -2 -21.58623300 25.73543700 -8.75352400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1232) -2 24.86334200 -12.71802800 -7.05946700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1232) -2 25.69116500 -13.22579100 -7.22780000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1232) -2 24.70509000 -12.36638200 -7.96147300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1233) -2 -24.61158200 -8.09427100 0.75936400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1233) -2 -24.73362400 -7.11803200 0.76191100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1233) -2 -23.66918100 -8.13390100 1.04499400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1234) -2 -11.63334700 -10.04966200 16.43897400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1234) -2 -11.92721000 -9.46156200 15.72634400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1234) -2 -11.29660800 -9.38770200 17.09118500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1235) -2 -14.44635600 17.32412400 -13.19160700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1235) -2 -15.10306600 16.59618100 -13.05498800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1235) -2 -13.61966700 16.77747900 -13.17392600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1236) -2 -22.61556100 24.37703300 -9.52945000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1236) -2 -23.42094800 24.45009200 -10.06316700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1236) -2 -22.03859600 23.86591400 -10.15419800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1237) -2 -16.70884300 4.15109400 -15.94952000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1237) -2 -16.10855900 4.30885400 -15.19802400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1237) -2 -17.57056100 4.39657300 -15.56609700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1238) -2 -13.12575500 14.58662900 16.49947300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1238) -2 -13.76418500 13.90594600 16.19979100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1238) -2 -12.30349900 14.04269500 16.53601100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1239) -2 8.23266700 -1.45216500 8.84108300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1239) -2 8.00900000 -2.34948400 8.50805100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1239) -2 8.08616100 -0.93009400 8.01825700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1240) -2 22.83409500 1.35332400 -12.52580300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1240) -2 23.44707200 0.58129000 -12.62350800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1240) -2 23.47536500 1.98260600 -12.09912100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1241) -2 5.74763400 11.18225600 -5.56082900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1241) -2 6.37974700 11.53550200 -4.88239900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1241) -2 6.30677800 11.34952200 -6.36727700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1242) -2 -23.33866300 -20.48320300 0.07223800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1242) -2 -23.72756400 -21.32015200 0.42730900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1242) -2 -22.47220900 -20.84565600 -0.24061000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1243) -2 -12.87407200 29.75435700 -12.77251600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1243) -2 -13.34931400 30.58602600 -12.55042000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1243) -2 -12.83839700 29.34322100 -11.87597600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1244) -2 -12.64369500 -17.40251400 -13.07294000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1244) -2 -11.77510600 -17.71679000 -13.43519600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1244) -2 -13.14592100 -17.33864300 -13.92346900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1245) -2 -14.32312600 -17.53882400 -15.16376400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1245) -2 -14.87914200 -18.27531200 -14.83462700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1245) -2 -14.95257400 -17.10876700 -15.78207200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1246) -2 -15.50910300 19.79977700 2.48556600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1246) -2 -14.76969000 19.94545900 3.10724400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1246) -2 -15.49366400 18.81638300 2.42614600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1247) -2 25.02887600 -11.17177300 13.66102700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1247) -2 24.29238900 -10.84683700 14.20567500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1247) -2 25.32705500 -10.33808100 13.24214700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1248) -2 -22.89657400 6.85768800 -9.48152100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1248) -2 -22.91120900 6.50023500 -8.55493700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1248) -2 -23.65946700 6.35786400 -9.84411200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1249) -2 3.06380600 -13.47339800 12.57387600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1249) -2 2.29383000 -13.43612200 13.18445300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1249) -2 2.80035200 -14.24577100 12.02391500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1250) -2 10.33533100 -16.55617700 5.14407600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1250) -2 10.47591600 -17.13920900 4.35208100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1250) -2 11.07665500 -16.88370400 5.70417300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1251) -2 -6.82291100 13.18328800 3.55447800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1251) -2 -7.48567500 12.72104200 2.99237900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1251) -2 -6.11036200 12.51501600 3.56994100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1252) -2 -10.51600000 -18.57044700 6.16811100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1252) -2 -11.18960400 -18.46738000 6.87674700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1252) -2 -9.81117700 -19.03264900 6.66368700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1253) -2 37.37816300 -3.99307000 0.51922300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1253) -2 37.67624900 -4.14341400 1.44412300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1253) -2 36.75667300 -4.75164700 0.42142400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1254) -2 -11.26896600 -20.88245500 12.35986100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1254) -2 -11.39231000 -21.28514300 11.48198000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1254) -2 -10.77763000 -20.06303200 12.09767100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1255) -2 23.50008200 8.91031100 -12.18190900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1255) -2 22.52422400 8.75060000 -12.17116100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1255) -2 23.78319900 8.02229400 -12.51965100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1256) -2 15.11836000 17.48113500 4.20024900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1256) -2 15.91951900 17.57426700 3.61508100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1256) -2 14.55673200 18.18436600 3.78761900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1257) -2 -30.89210500 -14.94885000 -10.66117900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1257) -2 -30.64823100 -15.39424700 -11.49637700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1257) -2 -30.31299600 -14.16337000 -10.69841700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1258) -2 10.92971200 -17.86168500 -5.54756700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1258) -2 11.24451500 -18.23542800 -6.40923100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1258) -2 10.17161800 -17.33067600 -5.88071000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1259) -2 13.47495000 4.53593800 -16.47444900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1259) -2 14.39681400 4.20585300 -16.37548200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1259) -2 13.42700800 5.11008400 -15.66653300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1260) -2 27.31144000 9.62715500 7.20693300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1260) -2 28.00649900 8.97258800 6.96906800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1260) -2 26.79196200 9.61453600 6.36341300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1261) -2 -10.13484600 1.60122900 20.31474300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1261) -2 -9.81179800 2.01427400 19.48437600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1261) -2 -10.80578700 0.98051000 19.93234200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1262) -2 -19.80264900 24.15312800 0.45561200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1262) -2 -20.16216700 23.23071200 0.42683600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1262) -2 -19.31000400 24.07617800 1.31844500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1263) -2 -6.85157100 -15.29815400 0.48177000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1263) -2 -7.65110800 -15.22749900 -0.07400600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1263) -2 -7.25144500 -15.45719200 1.36273900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1264) -2 -17.91167700 16.64429600 12.81055800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1264) -2 -18.81514700 16.93041300 13.00766400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1264) -2 -18.06797300 15.67874800 12.63955100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1265) -2 2.54080100 -12.59044500 3.64121100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1265) -2 3.50795800 -12.36230400 3.62722300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1265) -2 2.58822200 -13.39127500 4.20783300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1266) -2 -12.94329500 -18.07915000 16.61119900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1266) -2 -13.49255500 -17.44245900 16.09790700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1266) -2 -12.66704500 -18.67010800 15.85647800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1267) -2 -18.83716200 9.43060500 4.11723000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1267) -2 -18.07672300 10.01729100 4.33664400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1267) -2 -19.20800200 9.28749400 5.01432400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1268) -2 -7.57324700 -20.85149800 4.80781900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1268) -2 -7.89042400 -21.76939100 4.98231200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1268) -2 -7.69451100 -20.46623300 5.70333800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1269) -2 9.98148200 -14.24692800 -2.63228600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1269) -2 10.48305400 -15.09532400 -2.70351300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1269) -2 9.43855800 -14.32069800 -3.45313600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1270) -2 -10.40949500 11.24409400 14.85572400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1270) -2 -10.35231700 10.30604500 15.17060100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1270) -2 -11.39115100 11.27710500 14.69149800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1271) -2 -9.19394400 26.67361500 -10.49303300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1271) -2 -8.72632600 26.46983600 -11.33537100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1271) -2 -8.59532900 26.19601400 -9.86462200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1272) -2 -2.53444600 -12.85658700 14.78913700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1272) -2 -2.15605300 -13.69893900 15.13450000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1272) -2 -2.29265100 -12.96421100 13.83500800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1273) -2 3.59011800 6.50218400 -5.81400900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1273) -2 3.69619000 5.57847300 -6.14739500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1273) -2 2.61223800 6.48170500 -5.64739400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1275) -2 -15.16597100 -19.42241100 7.38100900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1275) -2 -15.68248400 -18.58545800 7.26436900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1275) -2 -15.08566500 -19.41578400 8.35871600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1276) -2 -23.71840700 -6.22190700 17.05126900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1276) -2 -22.82131800 -6.39823700 16.67206800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1276) -2 -24.23701300 -6.13863200 16.23968600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1277) -2 -19.36759300 -15.92456400 -14.74860600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1277) -2 -19.06670100 -16.84473700 -14.92123700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1277) -2 -18.74851000 -15.72451900 -13.97768200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1278) -2 -26.65239000 -26.82029200 -3.18495100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1278) -2 -26.59074300 -26.06504100 -2.55953600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1278) -2 -25.80166900 -26.70768000 -3.66793800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1279) -2 8.74316700 0.11627100 -17.34920600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1279) -2 8.29764900 0.54021300 -16.58452500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1279) -2 8.53048900 -0.82392200 -17.17951100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1280) -2 26.96471900 -10.25498700 -14.40739000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1280) -2 26.61195800 -9.40479600 -14.04063100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1280) -2 26.62875800 -10.16654600 -15.33149500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1281) -2 -7.65906300 20.05733900 -11.00850400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1281) -2 -7.59375400 19.92771500 -11.98405000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1281) -2 -8.61029700 19.83390900 -10.88496100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1282) -2 -30.16333600 -21.67460300 -2.56780900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1282) -2 -29.54328100 -21.32354800 -1.88174700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1282) -2 -30.69048800 -20.85942100 -2.73218700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1284) -2 10.65335900 14.30344100 9.05924800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1284) -2 9.97790300 14.95191900 8.82086200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1284) -2 11.43699200 14.67370000 8.58317500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1285) -2 -23.82594200 3.70370000 -3.08003400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1285) -2 -23.18270500 3.37553100 -3.77295600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1285) -2 -24.58761700 3.10663700 -3.31786500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1286) -2 -20.73555100 10.31164000 12.62229400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1286) -2 -20.77856300 11.28920000 12.68260900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1286) -2 -20.09080100 10.12613300 13.34054500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1287) -2 -10.51694900 -19.14244400 1.30530000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1287) -2 -11.02014700 -19.06704600 2.16524200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1287) -2 -9.74873500 -19.66840300 1.65574300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1288) -2 11.22559600 -16.63824200 -3.03515000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1288) -2 11.06167900 -17.17498600 -3.84112700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1288) -2 11.21167600 -17.34558200 -2.35203900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1289) -2 33.14215300 7.88859200 6.02356500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1289) -2 33.55374000 8.40792400 5.29224200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1289) -2 32.40468100 7.47219000 5.52376700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1290) -2 13.74914800 -13.66412200 5.22892100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1290) -2 13.51282900 -13.61214600 6.17736300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1290) -2 14.30265200 -12.85865100 5.14319500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1291) -2 16.79310900 22.94376100 6.52893100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1291) -2 16.73337800 23.07532800 5.56185100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1291) -2 16.58261500 21.99158700 6.59331900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1292) -2 -10.19129100 -16.72731400 -6.17873900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1292) -2 -10.96995200 -16.17127100 -5.92709300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1292) -2 -10.39397600 -16.84286300 -7.14128400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1293) -2 -25.18715800 2.16966500 -9.46914800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1293) -2 -24.57417600 1.65038800 -8.90338700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1293) -2 -25.76573300 1.45082700 -9.79811600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1294) -2 -0.62167600 -15.70031300 4.78729900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1294) -2 0.27944000 -15.82124300 5.17776900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1294) -2 -1.05914900 -16.49797000 5.18403000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1295) -2 8.02648800 1.37522400 -10.79661100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1295) -2 7.32410400 0.70740100 -10.97320800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1295) -2 8.81761100 0.79945500 -10.86082600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1296) -2 -0.96644500 -1.65797200 -11.01403600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1296) -2 -1.54396100 -2.35208500 -11.41584400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1296) -2 -0.50167000 -2.23784700 -10.34886000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1297) -2 19.98602700 10.79697500 -14.74210400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1297) -2 19.60177400 11.01571900 -13.86270300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1297) -2 20.59950200 11.56442600 -14.84282700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1298) -2 -9.06648700 -18.00183200 -0.63215800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1298) -2 -8.21510200 -18.36670100 -0.27193900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1298) -2 -9.67007400 -18.30977400 0.09163600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1299) -2 19.05320600 11.11550700 -12.19178000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1299) -2 19.51996900 10.49345300 -11.59072400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1299) -2 18.12162300 10.88114600 -11.98358600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1300) -2 -1.52365900 -16.39421800 8.64669700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1300) -2 -2.37311700 -16.64925100 9.09160100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1300) -2 -1.85535500 -15.64115700 8.09838700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1301) -2 -8.69382100 24.84679700 -4.92794600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1301) -2 -8.27075500 25.54677200 -5.47876600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1301) -2 -8.01866900 24.13482600 -5.02743700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1302) -2 -21.77352900 16.77462600 1.21493800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1302) -2 -21.57432800 16.03033100 0.58774900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1302) -2 -20.87192800 16.82380700 1.64089400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1303) -2 -10.01468600 17.89642800 -3.08838000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1303) -2 -10.05995700 16.93233600 -2.88944600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1303) -2 -9.23923000 18.14409000 -2.53686400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1304) -2 -18.70883400 10.13132700 -1.64467100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1304) -2 -19.38289500 9.90024500 -0.97067200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1304) -2 -18.06986700 10.62829300 -1.09627600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1305) -2 23.11784000 -8.77553300 14.29594400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1305) -2 22.36514300 -8.36557300 13.78676600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1305) -2 22.63356300 -8.92096400 15.14959700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1306) -2 -12.92063700 29.83749100 -3.25022100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1306) -2 -12.23508600 29.50428600 -3.88459700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1306) -2 -12.48283500 29.53916400 -2.40832100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1307) -2 -19.79121900 6.60681700 7.81510500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1307) -2 -20.26784200 6.07699400 7.13441600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1307) -2 -18.89206900 6.63094100 7.43362300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1308) -2 19.15386200 16.35043100 -2.35866700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1308) -2 18.77956600 15.44155600 -2.39255500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1308) -2 19.37067700 16.47384400 -3.31800300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1309) -2 14.29379300 12.49787500 16.19597200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1309) -2 15.12046400 12.75652000 15.73395200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1309) -2 13.63967600 12.99726900 15.65564300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1310) -2 7.99764400 13.44068800 -9.65440200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1310) -2 8.74926100 13.32155800 -9.02233000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1310) -2 8.49531200 13.81526700 -10.41577700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1311) -2 2.95101200 -4.32828600 16.53581900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1311) -2 3.89129500 -4.35089900 16.75744900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1311) -2 2.94188400 -3.62424400 15.84414000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1312) -2 32.68204200 11.67906600 -3.70750500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1312) -2 33.32042300 11.26169300 -3.08236500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1312) -2 31.87614600 11.67578500 -3.14995300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1313) -2 -10.74719200 18.15301800 -13.47673000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1313) -2 -9.93349400 17.91823400 -13.94877000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1313) -2 -11.17250900 17.26384000 -13.39326500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1314) -2 -10.57660800 -22.35002900 3.01016700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1314) -2 -11.21871700 -22.63245800 2.31901800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1314) -2 -11.21835400 -22.03170400 3.69461600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1315) -2 18.50298000 -4.51187500 -16.98236100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1315) -2 18.84024500 -5.42665200 -17.11174600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1315) -2 17.69846400 -4.72309500 -16.44653600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1316) -2 -21.22286900 10.09117400 -4.99395800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1316) -2 -21.72216100 9.32820100 -4.60873700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1316) -2 -21.95785600 10.58017400 -5.41445500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1317) -2 -12.40207500 10.09735500 -9.94608800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1317) -2 -13.01046400 9.67613800 -9.28271500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1317) -2 -11.93539600 9.28439400 -10.24743300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1318) -2 -20.97998300 26.54158300 0.03680500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1318) -2 -20.57671100 25.66495900 0.24425100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1318) -2 -20.68675100 26.63699400 -0.89868000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1319) -2 23.01721700 -15.52272700 -11.19774600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1319) -2 22.85189200 -15.14708900 -12.09326500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1319) -2 22.23812300 -16.12450000 -11.13237700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1320) -2 4.40090500 13.48026900 -5.02053900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1320) -2 4.77353400 12.62249100 -5.32517400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1320) -2 3.59827800 13.15661000 -4.55926400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1321) -2 -9.26556500 14.44622800 0.94548300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1321) -2 -10.17860500 14.37872800 0.59535600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1321) -2 -9.13781600 13.53106100 1.27817800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1322) -2 -23.54297000 -3.01510200 2.52399700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1322) -2 -23.98902600 -2.33204800 1.96816800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1322) -2 -23.40306800 -2.46938500 3.34541600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1323) -2 2.76129700 -2.48580100 14.53860100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1323) -2 2.19564200 -1.67366100 14.53095600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1323) -2 3.12230400 -2.41130500 13.61464200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1324) -2 -30.42137000 -21.21749900 -6.86425300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1324) -2 -30.50925400 -20.28211900 -6.56055600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1324) -2 -30.95638900 -21.65845500 -6.15981100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1325) -2 -12.58549800 16.18510400 -4.55297500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1325) -2 -11.90375800 15.77122100 -5.13849200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1325) -2 -12.58735300 17.08964100 -4.92415900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1326) -2 -2.28521200 10.36514800 2.28912100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1326) -2 -1.42131800 9.90646000 2.22589100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1326) -2 -2.47796600 10.51821600 1.34072000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1327) -2 -6.09323000 21.67361300 -9.62334700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1327) -2 -5.24957800 21.19587700 -9.67589300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1327) -2 -6.69015700 21.00488500 -10.05642100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1328) -2 -22.96104800 -9.90716700 -10.92451500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1328) -2 -22.37214300 -10.49268500 -11.45671400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1328) -2 -22.42213000 -9.08579100 -10.93090600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1329) -2 -12.11573700 15.89783400 -13.04257700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1329) -2 -11.96431400 15.66657900 -12.08863000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1329) -2 -12.06420600 14.97416400 -13.41430300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1330) -2 28.06066900 -11.83877400 -6.19441900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1330) -2 27.87180200 -12.65758800 -6.70039500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1330) -2 27.44015400 -11.21860600 -6.62006400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1331) -2 -22.58549800 19.84986600 8.29677600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1331) -2 -22.89149100 19.56257700 7.41847200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1331) -2 -21.68315300 20.17197900 8.08589700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1332) -2 17.24688600 5.92230100 -17.23236500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1332) -2 17.13021200 6.56215400 -16.49015800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1332) -2 16.88110600 5.11517500 -16.81024400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1333) -2 -13.03058100 2.75510000 18.21120200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1333) -2 -12.81755600 3.10830100 19.10175300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1333) -2 -13.99002600 2.56707100 18.32748800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1334) -2 -12.27445200 15.95582200 5.49632300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1334) -2 -12.45555200 15.98590500 6.46117300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1334) -2 -12.89362300 15.23886700 5.22825400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1335) -2 -27.75744500 -17.12836700 -2.73090900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1335) -2 -28.52084300 -17.04482100 -3.35150300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1335) -2 -27.88584000 -16.29882900 -2.21601200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1336) -2 -17.28761500 -9.61632900 15.25023500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1336) -2 -17.36922900 -9.59958700 14.26828100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1336) -2 -17.02936200 -10.53222900 15.40147000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1337) -2 28.63828600 3.42840700 -9.82580000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1337) -2 28.66360600 4.23403200 -10.40186900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1337) -2 29.58792100 3.25834100 -9.72730800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1338) -2 -2.42653300 -18.56798400 0.81995900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1338) -2 -3.35633800 -18.44107500 1.08468900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1338) -2 -2.41547100 -19.50054000 0.57083200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1339) -2 -23.54803000 16.08465900 7.80300400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1339) -2 -22.91918400 15.33275000 7.93723800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1339) -2 -24.32128100 15.57117000 7.46730200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1340) -2 31.60415400 12.70449700 -5.92937400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1340) -2 32.09517800 12.38184700 -5.13389800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1340) -2 31.96433200 12.12509500 -6.61149300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1341) -2 -11.86986700 28.68000100 -1.04344200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1341) -2 -12.62157600 28.66916000 -0.40512800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1341) -2 -11.39800000 27.86559200 -0.74361400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1342) -2 -6.11349700 -10.81855700 -12.35519400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1342) -2 -5.74484200 -11.59433700 -12.80495000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1342) -2 -5.36785700 -10.52508900 -11.80344400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1343) -2 -11.18551900 28.67170700 -4.93343500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1343) -2 -11.02003100 27.72732000 -5.17080200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1343) -2 -10.46526300 28.78433500 -4.25721400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1344) -2 -15.96236500 4.15414300 16.78396500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1344) -2 -16.81202800 4.28836100 16.30877000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1344) -2 -16.20218700 3.43069100 17.38987600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1345) -2 16.73122400 17.61074700 -1.93057000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1345) -2 17.67891800 17.33624900 -1.93952900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1345) -2 16.65211700 17.82893300 -0.95882500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1346) -2 33.74612200 9.05890800 3.63916000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1346) -2 33.09573600 9.75977700 3.38822400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1346) -2 33.50012400 8.37675900 2.96610300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1347) -2 -18.96665300 26.83976700 -14.70149300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1347) -2 -19.27271400 25.99065600 -15.10159900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1347) -2 -18.86423000 26.55026700 -13.77181200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1348) -2 -18.12684100 6.69947000 12.22019100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1348) -2 -18.36097200 5.74582200 12.36619100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1348) -2 -18.80649900 6.90451700 11.52973800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1349) -2 -7.62634200 -21.76348100 -3.31232300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1349) -2 -8.30298600 -21.11402800 -2.97614900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1349) -2 -6.82137400 -21.29727500 -2.96282900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1350) -2 -10.37447400 -8.49399500 18.23885800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1350) -2 -9.82439100 -9.20328600 18.64661300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1350) -2 -10.15386500 -7.75631600 18.86146600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1351) -2 26.12205300 13.98745700 10.47980600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1351) -2 26.21950000 13.49169000 9.64663800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1351) -2 25.17519200 14.25008700 10.42509700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1352) -2 22.29227800 -15.50414200 5.34539800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1352) -2 21.45306700 -15.20609600 4.92621000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1352) -2 22.33865900 -14.83033300 6.07791700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1353) -2 9.88575700 12.52418700 -2.54766900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1353) -2 10.12192600 12.62249200 -1.58704900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1353) -2 10.77740000 12.27216500 -2.89089900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1354) -2 14.70874100 9.85804500 13.37458800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1354) -2 15.68803700 9.96131500 13.40384900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1354) -2 14.48690600 10.73797600 12.95890200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1355) -2 11.01725700 -6.16630300 6.06999100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1355) -2 11.27692500 -7.08068200 5.81671400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1355) -2 10.48401600 -6.36601600 6.87755600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1356) -2 30.54748600 -7.96804800 -4.05232800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1356) -2 29.68879400 -7.61042800 -3.74007200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1356) -2 30.29045400 -8.90648400 -4.20009800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1357) -2 -1.98593200 -13.45008700 -4.57338000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1357) -2 -2.82192500 -13.53355200 -4.07675400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1357) -2 -1.68281500 -14.38624700 -4.55164400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1358) -2 11.52657600 15.26685600 3.20087700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1358) -2 12.34369900 15.10287200 3.75186900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1358) -2 11.38027900 16.21293000 3.48572100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1359) -2 20.91661300 5.69374800 -9.39804900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1359) -2 20.19726600 5.80385100 -8.75323100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1359) -2 21.40225300 6.54216200 -9.26406600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1360) -2 22.16447300 -15.37519200 -5.33784600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1360) -2 21.65910900 -15.71411600 -6.09653700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1360) -2 21.64644400 -15.71803400 -4.58814600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1361) -2 21.11208500 12.57692700 12.54221300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1361) -2 20.39549300 12.97415300 13.10296100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1361) -2 21.08109000 13.23912000 11.79955100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1362) -2 22.51695900 -14.10729100 -13.46451500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1362) -2 22.23806400 -13.18276000 -13.70953000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1362) -2 21.82221700 -14.59149400 -14.01293100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1363) -2 11.36988200 0.63901200 -17.30457400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1363) -2 10.39740900 0.52867100 -17.49233900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1363) -2 11.47758500 -0.13158300 -16.69426000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1364) -2 24.07546100 -1.88111200 -15.20798900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1364) -2 23.31628500 -1.26594200 -15.28457700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1364) -2 24.40398800 -1.63191500 -14.31769200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1365) -2 -19.67308800 18.74700500 -10.08999800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1365) -2 -19.29801000 18.42200800 -10.93692200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1365) -2 -19.52721700 17.94034900 -9.53844700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1366) -2 6.89622000 -7.42745400 -11.16215100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1366) -2 6.52521900 -7.00750500 -10.35149300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1366) -2 7.60930600 -7.96478400 -10.75335100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1367) -2 -7.46970000 -17.44816800 14.90083200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1367) -2 -7.34866800 -16.97548300 14.03437500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1367) -2 -6.83337600 -18.18456200 14.75085900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1368) -2 -6.69489000 22.93014900 -4.96436100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1368) -2 -5.83863000 23.01504400 -4.51257700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1368) -2 -7.05860800 22.13976100 -4.48895100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1369) -2 -26.49404300 -24.38054200 -1.93534600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1369) -2 -25.75913700 -23.88093100 -2.37835500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1369) -2 -27.24294300 -24.07724600 -2.50607100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1370) -2 12.02883600 8.21434300 9.71953800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1370) -2 12.57021200 7.92974200 10.49395300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1370) -2 11.63854500 7.34094500 9.47090200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1371) -2 -15.83921600 13.66199100 0.06005200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1371) -2 -14.96394700 13.30266900 -0.26936200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1371) -2 -16.35628800 12.81653000 -0.02489500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1372) -2 -6.62319500 4.18522800 15.92135700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1372) -2 -5.83032500 3.62419600 16.07348300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1372) -2 -6.96497100 4.24367000 16.84220000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1373) -2 21.30447700 -8.98330400 16.30380500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1373) -2 20.44954000 -8.86499500 15.82549700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1373) -2 21.01307100 -8.89725500 17.21998700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1374) -2 -17.85098700 12.41401100 -5.63440600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1374) -2 -18.04759500 11.87469800 -6.43203200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1374) -2 -16.88412400 12.24496000 -5.55002700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1375) -2 28.85169300 -9.57682500 -1.45563400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1375) -2 29.21025100 -10.03452100 -2.25263100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1375) -2 28.08426800 -10.18222700 -1.27352600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1376) -2 -10.40819600 -21.60889700 7.12360300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1376) -2 -9.57465300 -21.07868400 7.14340100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1376) -2 -10.73751500 -21.38855600 8.03309600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1377) -2 31.66850600 2.98501800 -1.80159600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1377) -2 30.88339900 2.80402500 -2.38289200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1377) -2 32.07424300 3.71307700 -2.33427400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1378) -2 -12.09893000 20.84751300 8.85294300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1378) -2 -13.06902700 20.95252000 8.74073400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1378) -2 -12.09200400 20.40392200 9.74004300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1379) -2 -2.05292800 9.68635500 -5.57233600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1379) -2 -1.19786800 9.29102400 -5.29181600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1379) -2 -2.40289200 8.96387000 -6.13428400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1380) -2 -26.99767000 -4.41511900 -2.62401700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1380) -2 -26.32643200 -4.96531600 -3.08588900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1380) -2 -26.43576800 -4.01870100 -1.92358100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1381) -2 -24.34243200 -6.03420000 19.68035600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1381) -2 -23.42754900 -5.88928900 19.94375000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1381) -2 -24.24483100 -6.12983500 18.70439000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1382) -2 -9.93636000 17.15596600 -9.55712000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1382) -2 -9.05182400 16.75816700 -9.47599900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1382) -2 -10.08148900 17.42929200 -8.61285800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1383) -2 -4.01351000 -16.96221500 -9.77281900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1383) -2 -3.16309400 -16.56829300 -10.06098900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1383) -2 -3.82376600 -17.12378600 -8.82597300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1384) -2 18.85036100 7.67388100 13.38153400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1384) -2 19.34044900 8.51853300 13.27278300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1384) -2 18.00001600 7.99442000 13.71594100 L 1 944 1.0 2 1.0 3 1.0 4 1.0 2 3 4 5 1.0 6 1.0 7 1.0 5 6 7 8 1.0 9 1.0 8 9 10 1013 1.0 11 1.0 1015 1.0 12 1.0 11 12 13 1.0 14 1.0 13 14 15 1.0 16 1.0 15 16 17 1.0 18 1.0 22 1.0 17 18 19 1.0 20 1.0 21 1.0 19 20 21 22 23 1.0 24 1.0 23 24 25 1.0 26 1.0 25 26 27 1.0 28 1.0 29 1.0 27 28 29 30 1.0 31 1.0 30 31 32 1.0 33 1.0 32 33 34 1.0 35 1.0 46 1.0 34 35 36 1.0 37 1.0 38 1.0 36 37 38 39 1.0 44 1.0 39 40 1.0 41 1.0 40 41 42 1.0 43 1.0 42 43 44 1.0 44 45 1.0 45 46 47 1.0 48 1.0 47 48 49 1.0 50 1.0 49 50 51 1.0 52 1.0 151 1.0 51 52 53 1.0 54 1.0 55 1.0 53 54 55 56 1.0 56 57 1981 1.0 58 1.0 59 1.0 60 1.0 58 59 60 61 1.0 62 1.0 61 62 63 1.0 66 1.0 63 64 1.0 65 1.0 64 65 66 67 1.0 68 1.0 67 68 69 70 1.0 73 1.0 77 1.0 78 1.0 70 71 1.0 72 1.0 71 72 73 74 1.0 75 1.0 76 1.0 74 75 76 77 78 79 1.0 80 1.0 81 1.0 79 80 81 82 1.0 83 1.0 84 1.0 82 83 84 85 1.0 123 1.0 85 86 1.0 122 1.0 86 87 1.0 111 1.0 121 1.0 87 88 1.0 109 1.0 110 1.0 88 89 1.0 89 90 1.0 90 91 1.0 107 1.0 108 1.0 91 92 1.0 99 1.0 106 1.0 92 93 1.0 98 1.0 93 94 1.0 97 1.0 94 3780 1.0 95 1.0 96 1.0 95 96 97 98 99 100 1.0 105 1.0 100 101 1.0 104 1.0 101 3783 1.0 102 1.0 103 1.0 102 103 104 105 106 107 108 109 110 111 112 1.0 113 1.0 112 113 114 1.0 120 1.0 114 115 1.0 118 1.0 119 1.0 115 116 1.0 117 1.0 116 117 118 119 120 121 122 123 124 125 1.0 126 1.0 125 126 1.0 126 127 128 1.0 129 1.0 128 129 1.0 129 130 131 1.0 132 1.0 131 132 1.0 132 133 134 1.0 135 1.0 134 135 1.0 135 136 137 1.0 138 1.0 137 138 1.0 138 139 140 1.0 141 1.0 140 141 1.0 141 142 143 1.0 144 1.0 143 144 1.0 144 145 146 1.0 147 1.0 146 147 1.0 147 148 149 1.0 150 1.0 149 150 1.0 150 151 152 1.0 153 1.0 152 153 154 1.0 1033 1.0 154 155 1401 1.0 156 1.0 157 1.0 158 1.0 156 157 158 159 1.0 160 1.0 161 1.0 159 160 161 162 1.0 163 1.0 164 1.0 162 163 164 165 166 1.0 167 1.0 166 167 1.0 167 168 169 1.0 170 1.0 169 170 1.0 170 171 172 1.0 173 1.0 172 173 1.0 173 174 175 1.0 176 1.0 175 176 1.0 176 177 178 1.0 179 1.0 178 179 1.0 179 180 181 1.0 182 1.0 181 182 1.0 182 183 184 1.0 185 1.0 184 185 1.0 185 186 187 1.0 188 1.0 187 188 1.0 188 189 190 1.0 191 1.0 190 191 1.0 191 192 193 1.0 194 1.0 193 194 1.0 194 195 196 1.0 197 1.0 196 197 1.0 197 198 199 1.0 200 1.0 199 200 1.0 200 201 202 1.0 203 1.0 202 203 1.0 203 204 205 1.0 206 1.0 207 1.0 208 1.0 205 206 207 208 209 1.0 210 1.0 221 1.0 209 210 211 1.0 212 1.0 213 1.0 211 212 213 214 1.0 215 1.0 216 1.0 214 215 216 217 1.0 217 218 1.0 219 1.0 220 1.0 218 219 220 221 222 1.0 223 1.0 222 223 224 1.0 225 1.0 224 225 226 1.0 227 1.0 240 1.0 226 227 228 1.0 229 1.0 230 1.0 228 229 230 231 1.0 232 1.0 236 1.0 231 232 233 1.0 234 1.0 235 1.0 233 234 235 236 237 1.0 238 1.0 239 1.0 237 238 239 240 241 1.0 242 1.0 241 242 243 1.0 244 1.0 243 244 245 1.0 246 1.0 264 1.0 245 246 247 1.0 248 1.0 249 1.0 247 248 249 250 1.0 251 1.0 252 1.0 250 251 252 253 1.0 254 1.0 255 1.0 253 254 255 256 1.0 257 1.0 256 257 258 1.0 261 1.0 258 259 1.0 260 1.0 259 260 261 262 1.0 263 1.0 262 263 264 265 1.0 266 1.0 265 266 267 1.0 268 1.0 267 268 269 1.0 270 1.0 288 1.0 269 270 271 1.0 272 1.0 273 1.0 271 272 273 274 1.0 275 1.0 276 1.0 274 275 276 277 1.0 278 1.0 279 1.0 277 278 279 280 1.0 281 1.0 280 281 282 1.0 285 1.0 282 283 1.0 284 1.0 283 284 285 286 1.0 287 1.0 286 287 288 289 1.0 290 1.0 289 290 291 1.0 292 1.0 291 292 293 1.0 294 1.0 298 1.0 293 294 295 1.0 296 1.0 297 1.0 295 296 297 298 299 1.0 300 1.0 299 300 301 1.0 302 1.0 301 302 303 1.0 304 1.0 317 1.0 303 304 305 1.0 306 1.0 307 1.0 305 306 307 308 1.0 309 1.0 313 1.0 308 309 310 1.0 311 1.0 312 1.0 310 311 312 313 314 1.0 315 1.0 316 1.0 314 315 316 317 318 1.0 319 1.0 318 319 320 1.0 321 1.0 320 321 322 1.0 323 1.0 336 1.0 322 323 324 1.0 325 1.0 326 1.0 324 325 326 327 1.0 328 1.0 332 1.0 327 328 329 1.0 330 1.0 331 1.0 329 330 331 332 333 1.0 334 1.0 335 1.0 333 334 335 336 337 1.0 338 1.0 337 338 339 1.0 340 1.0 339 340 341 1.0 342 1.0 347 1.0 341 342 343 1.0 344 1.0 345 1.0 343 344 345 346 1.0 346 347 348 1.0 349 1.0 348 349 350 1.0 351 1.0 350 351 352 1.0 353 1.0 366 1.0 352 353 354 1.0 355 1.0 356 1.0 354 355 356 357 1.0 358 1.0 362 1.0 357 358 359 1.0 360 1.0 361 1.0 359 360 361 362 363 1.0 364 1.0 365 1.0 363 364 365 366 367 1.0 368 1.0 367 368 369 1.0 370 1.0 369 370 371 1.0 372 1.0 376 1.0 371 372 373 1.0 374 1.0 375 1.0 373 374 375 376 377 1.0 378 1.0 377 378 379 1.0 380 1.0 379 380 381 1.0 382 1.0 392 1.0 381 382 383 1.0 384 1.0 388 1.0 383 384 385 1.0 386 1.0 387 1.0 385 386 387 388 389 1.0 390 1.0 391 1.0 389 390 391 392 393 1.0 394 1.0 393 394 395 1.0 396 1.0 395 396 397 1.0 398 1.0 402 1.0 397 398 399 1.0 400 1.0 401 1.0 399 400 401 402 403 1.0 404 1.0 403 404 405 1.0 406 1.0 405 406 407 1.0 408 1.0 412 1.0 407 408 409 1.0 410 1.0 411 1.0 409 410 411 412 413 1.0 414 1.0 413 414 415 1.0 416 1.0 415 416 417 1.0 418 1.0 431 1.0 417 418 419 1.0 420 1.0 421 1.0 419 420 421 422 1.0 423 1.0 427 1.0 422 423 424 1.0 425 1.0 426 1.0 424 425 426 427 428 1.0 429 1.0 430 1.0 428 429 430 431 432 1.0 433 1.0 432 433 434 1.0 435 1.0 434 435 436 1.0 437 1.0 447 1.0 436 437 438 1.0 439 1.0 443 1.0 438 439 440 1.0 441 1.0 442 1.0 440 441 442 443 444 1.0 445 1.0 446 1.0 444 445 446 447 448 1.0 449 1.0 448 449 450 1.0 451 1.0 450 451 452 1.0 453 1.0 471 1.0 452 453 454 1.0 455 1.0 456 1.0 454 455 456 457 1.0 458 1.0 459 1.0 457 458 459 460 1.0 461 1.0 462 1.0 460 461 462 463 1.0 464 1.0 463 464 465 1.0 468 1.0 465 466 1.0 467 1.0 466 467 468 469 1.0 470 1.0 469 470 471 472 1.0 473 1.0 472 473 474 1.0 475 1.0 474 475 476 1.0 477 1.0 481 1.0 476 477 478 1.0 479 1.0 480 1.0 478 479 480 481 482 1.0 483 1.0 482 483 484 1.0 485 1.0 484 485 486 1.0 487 1.0 493 1.0 486 487 488 1.0 489 1.0 490 1.0 488 489 490 491 1.0 492 1.0 491 492 493 494 1.0 495 1.0 494 495 496 1.0 497 1.0 496 497 498 1.0 499 1.0 503 1.0 498 499 500 1.0 501 1.0 502 1.0 500 501 502 503 504 1.0 505 1.0 504 505 506 1.0 515 1.0 506 507 1.0 508 1.0 509 1.0 507 508 509 510 1.0 511 1.0 512 1.0 510 511 512 513 1.0 514 1.0 515 1.0 513 514 515 516 1.0 517 1.0 516 517 518 1.0 519 1.0 518 519 520 1.0 521 1.0 520 521 522 1.0 523 1.0 532 1.0 522 523 524 1.0 525 1.0 526 1.0 524 525 526 527 1.0 528 1.0 529 1.0 527 528 529 530 1.0 531 1.0 530 531 532 533 1.0 534 1.0 533 534 535 1.0 536 1.0 535 536 537 1.0 538 1.0 547 1.0 537 538 539 1.0 540 1.0 541 1.0 539 540 541 542 1.0 543 1.0 544 1.0 542 543 544 545 1.0 546 1.0 545 546 547 548 1.0 549 1.0 548 549 550 1.0 551 1.0 550 551 552 1.0 553 1.0 562 1.0 552 553 554 1.0 555 1.0 556 1.0 554 555 556 557 1.0 558 1.0 559 1.0 557 558 559 560 1.0 561 1.0 560 561 562 563 1.0 564 1.0 563 564 565 1.0 566 1.0 565 566 567 1.0 568 1.0 574 1.0 567 568 569 1.0 570 1.0 571 1.0 569 570 571 572 1.0 573 1.0 572 573 574 575 1.0 576 1.0 575 576 577 1.0 578 1.0 577 578 579 1.0 580 1.0 591 1.0 579 580 581 1.0 582 1.0 583 1.0 581 582 583 584 1.0 589 1.0 584 585 1.0 586 1.0 585 586 587 1.0 588 1.0 587 588 589 1.0 589 590 1.0 590 591 592 1.0 593 1.0 592 593 594 1.0 595 1.0 594 595 596 1.0 597 1.0 607 1.0 596 597 598 1.0 599 1.0 603 1.0 598 599 600 1.0 601 1.0 602 1.0 600 601 602 603 604 1.0 605 1.0 606 1.0 604 605 606 607 608 1.0 609 1.0 608 609 610 1.0 611 1.0 610 611 612 1.0 613 1.0 626 1.0 612 613 614 1.0 615 1.0 616 1.0 614 615 616 617 1.0 618 1.0 622 1.0 617 618 619 1.0 620 1.0 621 1.0 619 620 621 622 623 1.0 624 1.0 625 1.0 623 624 625 626 627 1.0 628 1.0 627 628 629 1.0 630 1.0 629 630 631 1.0 632 1.0 642 1.0 631 632 633 1.0 634 1.0 638 1.0 633 634 635 1.0 636 1.0 637 1.0 635 636 637 638 639 1.0 640 1.0 641 1.0 639 640 641 642 643 1.0 644 1.0 643 644 645 1.0 646 1.0 645 646 647 1.0 648 1.0 661 1.0 647 648 649 1.0 650 1.0 651 1.0 649 650 651 652 1.0 653 1.0 657 1.0 652 653 654 1.0 655 1.0 656 1.0 654 655 656 657 658 1.0 659 1.0 660 1.0 658 659 660 661 662 1.0 663 1.0 662 663 664 1.0 665 1.0 664 665 666 1.0 667 1.0 685 1.0 666 667 668 1.0 669 1.0 670 1.0 668 669 670 671 1.0 672 1.0 673 1.0 671 672 673 674 1.0 675 1.0 676 1.0 674 675 676 677 1.0 678 1.0 677 678 679 1.0 682 1.0 679 680 1.0 681 1.0 680 681 682 683 1.0 684 1.0 683 684 685 686 1.0 687 1.0 686 687 688 1.0 689 1.0 688 689 690 1.0 691 1.0 707 1.0 690 691 692 1.0 693 1.0 694 1.0 692 693 694 695 1.0 696 1.0 697 1.0 695 696 697 698 1.0 699 1.0 700 1.0 698 699 700 701 1.0 702 1.0 703 1.0 701 702 703 704 1.0 705 1.0 706 1.0 704 705 706 707 708 1.0 709 1.0 708 709 710 1.0 711 1.0 710 711 712 1.0 713 1.0 718 1.0 712 713 714 1.0 715 1.0 716 1.0 714 715 716 717 1.0 717 718 719 1.0 720 1.0 719 720 721 1.0 722 1.0 721 722 723 1.0 724 1.0 732 1.0 723 724 725 1.0 726 1.0 727 1.0 725 726 727 728 1.0 729 1.0 728 729 730 1.0 731 1.0 730 731 732 733 1.0 734 1.0 733 734 735 1.0 736 1.0 735 736 737 1.0 738 1.0 752 1.0 737 738 739 1.0 740 1.0 741 1.0 739 740 741 742 1.0 750 1.0 742 743 1.0 744 1.0 743 744 745 1.0 746 1.0 745 746 747 1.0 748 1.0 747 748 749 1.0 750 1.0 749 750 751 1.0 751 752 753 1.0 754 1.0 753 754 755 1.0 756 1.0 755 756 757 1.0 758 1.0 762 1.0 757 758 759 1.0 760 1.0 761 1.0 759 760 761 762 763 1.0 764 1.0 763 764 765 1.0 766 1.0 765 766 767 1.0 768 1.0 777 1.0 767 768 769 1.0 770 1.0 771 1.0 769 770 771 772 1.0 773 1.0 774 1.0 772 773 774 775 1.0 776 1.0 775 776 777 778 1.0 779 1.0 778 779 780 1.0 781 1.0 780 781 782 1.0 783 1.0 787 1.0 782 783 784 1.0 785 1.0 786 1.0 784 785 786 787 788 1.0 789 1.0 788 789 790 1.0 791 1.0 790 791 792 1.0 793 1.0 806 1.0 792 793 794 1.0 795 1.0 796 1.0 794 795 796 797 1.0 798 1.0 802 1.0 797 798 799 1.0 800 1.0 801 1.0 799 800 801 802 803 1.0 804 1.0 805 1.0 803 804 805 806 807 1.0 808 1.0 807 808 809 1.0 810 1.0 809 810 811 1.0 812 1.0 816 1.0 811 812 813 1.0 814 1.0 815 1.0 813 814 815 816 817 1.0 818 1.0 817 818 819 1.0 820 1.0 819 820 821 1.0 822 1.0 826 1.0 821 822 823 1.0 824 1.0 825 1.0 823 824 825 826 827 1.0 828 1.0 827 828 829 1.0 830 1.0 829 830 831 1.0 832 1.0 843 1.0 831 832 833 1.0 834 1.0 835 1.0 833 834 835 836 1.0 841 1.0 836 837 1.0 838 1.0 837 838 839 1.0 840 1.0 839 840 841 1.0 841 842 1.0 842 843 844 1.0 845 1.0 844 845 846 1.0 847 1.0 846 847 848 1.0 849 1.0 865 1.0 848 849 850 1.0 851 1.0 852 1.0 850 851 852 853 1.0 854 1.0 855 1.0 853 854 855 856 1.0 857 1.0 858 1.0 856 857 858 859 1.0 860 1.0 861 1.0 859 860 861 862 1.0 863 1.0 864 1.0 862 863 864 865 866 1.0 867 1.0 866 867 868 1.0 869 1.0 868 869 870 1.0 871 1.0 886 1.0 870 871 872 1.0 873 1.0 874 1.0 872 873 874 875 1.0 884 1.0 875 876 1.0 877 1.0 876 877 878 1.0 879 1.0 878 879 880 1.0 882 1.0 880 881 1.0 881 882 883 1.0 884 1.0 883 884 885 1.0 885 886 887 1.0 888 1.0 887 888 889 1.0 890 1.0 889 890 891 1.0 892 1.0 905 1.0 891 892 893 1.0 894 1.0 895 1.0 893 894 895 896 1.0 897 1.0 901 1.0 896 897 898 1.0 899 1.0 900 1.0 898 899 900 901 902 1.0 903 1.0 904 1.0 902 903 904 905 906 1.0 907 1.0 906 907 908 1.0 909 1.0 908 909 910 1.0 911 1.0 924 1.0 910 911 912 1.0 913 1.0 914 1.0 912 913 914 915 1.0 916 1.0 920 1.0 915 916 917 1.0 918 1.0 919 1.0 917 918 919 920 921 1.0 922 1.0 923 1.0 921 922 923 924 925 1.0 926 1.0 925 926 927 1.0 928 1.0 927 928 929 1.0 930 1.0 940 1.0 929 930 931 1.0 932 1.0 936 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1.0 1013 1.0 1012 1013 1014 1.0 1014 1015 1016 1.0 1017 1.0 1018 1.0 1016 1017 1018 1019 1.0 1032 1.0 1019 1020 1.0 1021 1.0 1020 1021 1022 1.0 1023 1.0 1022 1023 1024 1.0 1032 1.0 1024 1025 1.0 1026 1.0 1025 1026 1027 1.0 1028 1.0 1027 1028 1029 1.0 1030 1.0 1029 1030 1031 1.0 1032 1.0 1031 1032 1033 1034 1.0 1035 1.0 1051 1.0 1034 1035 1036 1.0 1037 1.0 1038 1.0 1036 1037 1038 1039 1.0 1040 1.0 1041 1.0 1039 1040 1041 1042 1.0 1043 1.0 1044 1.0 1042 1043 1044 1045 1.0 1046 1.0 1047 1.0 1045 1046 1047 1048 1.0 1049 1.0 1050 1.0 1048 1049 1050 1051 1052 1.0 1053 1.0 1052 1053 1054 1.0 1055 1.0 1054 1055 1056 1.0 1057 1.0 1061 1.0 1056 1057 1058 1.0 1059 1.0 1060 1.0 1058 1059 1060 1061 1062 1.0 1063 1.0 1062 1063 1064 1.0 1065 1.0 1064 1065 1066 1.0 1067 1.0 1080 1.0 1066 1067 1068 1.0 1069 1.0 1070 1.0 1068 1069 1070 1071 1.0 1072 1.0 1076 1.0 1071 1072 1073 1.0 1074 1.0 1075 1.0 1073 1074 1075 1076 1077 1.0 1078 1.0 1079 1.0 1077 1078 1079 1080 1081 1.0 1082 1.0 1081 1082 1083 1.0 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1154 1.0 1153 1154 1155 1.0 1156 1.0 1172 1.0 1155 1156 1157 1.0 1158 1.0 1159 1.0 1157 1158 1159 1160 1.0 1161 1.0 1162 1.0 1160 1161 1162 1163 1.0 1164 1.0 1165 1.0 1163 1164 1165 1166 1.0 1167 1.0 1168 1.0 1166 1167 1168 1169 1.0 1170 1.0 1171 1.0 1169 1170 1171 1172 1173 1.0 1174 1.0 1173 1174 1175 1.0 1176 1.0 1175 1176 1177 1.0 1178 1.0 1182 1.0 1177 1178 1179 1.0 1180 1.0 1181 1.0 1179 1180 1181 1182 1183 1.0 1184 1.0 1183 1184 1185 1.0 1186 1.0 1185 1186 1187 1.0 1188 1.0 1192 1.0 1187 1188 1189 1.0 1190 1.0 1191 1.0 1189 1190 1191 1192 1193 1.0 1194 1.0 1193 1194 1195 1.0 1196 1.0 1195 1196 1197 1.0 1198 1.0 1199 1.0 1197 1198 1199 1200 1.0 1201 1.0 1200 1201 1202 1.0 1203 1.0 1202 1203 1204 1.0 1205 1.0 1221 1.0 1204 1205 1206 1.0 1207 1.0 1208 1.0 1206 1207 1208 1209 1.0 1210 1.0 1211 1.0 1209 1210 1211 1212 1.0 1213 1.0 1214 1.0 1212 1213 1214 1215 1.0 1216 1.0 1217 1.0 1215 1216 1217 1218 1.0 1219 1.0 1220 1.0 1218 1219 1220 1221 1222 1.0 1223 1.0 1222 1223 1224 1.0 1225 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1367 1368 1.0 1369 1.0 1382 1.0 1368 1369 1370 1.0 1371 1.0 1372 1.0 1370 1371 1372 1373 1.0 1374 1.0 1378 1.0 1373 1374 1375 1.0 1376 1.0 1377 1.0 1375 1376 1377 1378 1379 1.0 1380 1.0 1381 1.0 1379 1380 1381 1382 1383 1.0 1384 1.0 1383 1384 1385 1.0 1386 1.0 1385 1386 1387 1.0 1388 1.0 1392 1.0 1387 1388 1389 1.0 1390 1.0 1391 1.0 1389 1390 1391 1392 1393 1.0 1394 1.0 1393 1394 1395 1.0 1396 1.0 1395 1396 1397 1.0 1398 1.0 1404 1.0 1397 1398 1399 1.0 1400 1.0 1401 1.0 1399 1400 1401 1402 1.0 1403 1.0 1402 1403 1404 1405 1.0 1406 1.0 1405 1406 1407 1.0 1408 1.0 1407 1408 1409 1.0 1410 1.0 1420 1.0 1409 1410 1411 1.0 1412 1.0 1416 1.0 1411 1412 1413 1.0 1414 1.0 1415 1.0 1413 1414 1415 1416 1417 1.0 1418 1.0 1419 1.0 1417 1418 1419 1420 1421 1.0 1422 1.0 1421 1422 1423 1.0 1424 1.0 1423 1424 1425 1.0 1426 1.0 1432 1.0 1425 1426 1427 1.0 1428 1.0 1429 1.0 1427 1428 1429 1430 1.0 1431 1.0 1430 1431 1432 1433 1.0 1434 1.0 1433 1434 1435 1.0 1436 1.0 1435 1436 1437 1.0 1438 1.0 1442 1.0 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1579 1580 1581 1582 1.0 1591 1.0 1582 1583 1.0 1584 1.0 1583 1584 1585 1.0 1586 1.0 1585 1586 1587 1.0 1589 1.0 1587 1588 1.0 1588 1589 1590 1.0 1591 1.0 1590 1591 1592 1.0 1592 1593 1594 1.0 1595 1.0 1594 1595 1596 1.0 1597 1.0 1596 1597 1598 1.0 1599 1.0 1600 1.0 1598 1599 1600 1601 1.0 1602 1.0 1601 1602 1603 1.0 1604 1.0 1603 1604 1605 1.0 1606 1.0 1616 1.0 1605 1606 1607 1.0 1608 1.0 1612 1.0 1607 1608 1609 1.0 1610 1.0 1611 1.0 1609 1610 1611 1612 1613 1.0 1614 1.0 1615 1.0 1613 1614 1615 1616 1617 1.0 1618 1.0 1617 1618 1619 1.0 1620 1.0 1619 1620 1621 1.0 1622 1.0 1640 1.0 1621 1622 1623 1.0 1624 1.0 1625 1.0 1623 1624 1625 1626 1.0 1627 1.0 1628 1.0 1626 1627 1628 1629 1.0 1630 1.0 1631 1.0 1629 1630 1631 1632 1.0 1633 1.0 1632 1633 1634 1.0 1637 1.0 1634 1635 1.0 1636 1.0 1635 1636 1637 1638 1.0 1639 1.0 1638 1639 1640 1641 1.0 1642 1.0 1641 1642 1643 1.0 1644 1.0 1643 1644 1645 1.0 1646 1.0 1647 1.0 1645 1646 1647 1648 1.0 1649 1.0 1648 1649 1650 1.0 1651 1.0 1650 1651 1652 1.0 1653 1.0 1668 1.0 1652 1653 1654 1.0 1655 1.0 1656 1.0 1654 1655 1656 1657 1.0 1666 1.0 1657 1658 1.0 1659 1.0 1658 1659 1660 1.0 1661 1.0 1660 1661 1662 1.0 1664 1.0 1662 1663 1.0 1663 1664 1665 1.0 1666 1.0 1665 1666 1667 1.0 1667 1668 1669 1.0 1670 1.0 1669 1670 1671 1.0 1680 1.0 1671 1672 1.0 1673 1.0 1674 1.0 1672 1673 1674 1675 1.0 1676 1.0 1677 1.0 1675 1676 1677 1678 1.0 1679 1.0 1680 1.0 1678 1679 1680 1681 1.0 1682 1.0 1681 1682 1683 1.0 1684 1.0 1683 1684 1685 1.0 1686 1.0 1685 1686 1687 1.0 1688 1.0 1696 1.0 1687 1688 1689 1.0 1690 1.0 1694 1.0 1689 1690 1691 1.0 1692 1.0 1693 1.0 1691 1692 1693 1694 1695 1.0 1695 1696 1697 1.0 1698 1.0 1697 1698 1699 1.0 1700 1.0 1699 1700 1701 1.0 1702 1.0 1715 1.0 1701 1702 1703 1.0 1704 1.0 1708 1.0 1703 1704 1705 1.0 1706 1.0 1707 1.0 1705 1706 1707 1708 1709 1.0 1710 1.0 1711 1.0 1709 1710 1711 1712 1.0 1713 1.0 1714 1.0 1712 1713 1714 1715 1716 1.0 1717 1.0 1716 1717 1718 1.0 1719 1.0 1718 1719 1720 1.0 1721 1.0 1737 1.0 1720 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1.0 1790 1791 1792 1793 1.0 1794 1.0 1793 1794 1795 1.0 1798 1.0 1795 1796 1.0 1797 1.0 1796 1797 1798 1799 1.0 1800 1.0 1799 1800 1801 1802 1.0 1803 1.0 1802 1803 1804 1.0 1805 1.0 1804 1805 1806 1.0 1807 1.0 1815 1.0 1806 1807 1808 1.0 1809 1.0 1810 1.0 1808 1809 1810 1811 1.0 1812 1.0 1811 1812 1813 1.0 1814 1.0 1813 1814 1815 1816 1.0 1817 1.0 1816 1817 1818 1.0 1819 1.0 1818 1819 1820 1.0 1821 1.0 1822 1.0 1820 1821 1822 1823 1.0 1824 1.0 1823 1824 1825 1.0 1826 1.0 1825 1826 1827 1.0 1828 1.0 1834 1.0 1827 1828 1829 1.0 1830 1.0 1831 1.0 1829 1830 1831 1832 1.0 1833 1.0 1832 1833 1834 1835 1.0 1836 1.0 1835 1836 1837 1.0 1838 1.0 1837 1838 1839 1.0 1840 1.0 1848 1.0 1839 1840 1841 1.0 1842 1.0 1846 1.0 1841 1842 1843 1.0 1844 1.0 1845 1.0 1843 1844 1845 1846 1847 1.0 1847 1848 1849 1.0 1850 1.0 1849 1850 1851 1.0 1852 1.0 1851 1852 1853 1.0 1854 1.0 1858 1.0 1853 1854 1855 1.0 1856 1.0 1857 1.0 1855 1856 1857 1858 1859 1.0 1860 1.0 1859 1860 1861 1.0 1862 1.0 1861 1862 1863 1.0 1864 1.0 1869 1.0 1863 1864 1865 1.0 1866 1.0 1867 1.0 1865 1866 1867 1868 1.0 1868 1869 1870 1.0 1871 1.0 1870 1871 1872 1.0 1881 1.0 1872 1873 1.0 1874 1.0 1875 1.0 1873 1874 1875 1876 1.0 1877 1.0 1878 1.0 1876 1877 1878 1879 1.0 1880 1.0 1881 1.0 1879 1880 1881 1882 1.0 1883 1.0 1882 1883 1884 1.0 1885 1.0 1884 1885 1886 1.0 1887 1.0 1886 1887 1888 1.0 1889 1.0 1905 1.0 1888 1889 1890 1.0 1891 1.0 1892 1.0 1890 1891 1892 1893 1.0 1894 1.0 1895 1.0 1893 1894 1895 1896 1.0 1897 1.0 1898 1.0 1896 1897 1898 1899 1.0 1900 1.0 1901 1.0 1899 1900 1901 1902 1.0 1903 1.0 1904 1.0 1902 1903 1904 1905 1906 1.0 1907 1.0 1906 1907 1908 1.0 1909 1.0 1908 1909 1910 1.0 1911 1.0 1920 1.0 1910 1911 1912 1.0 1913 1.0 1914 1.0 1912 1913 1914 1915 1.0 1916 1.0 1917 1.0 1915 1916 1917 1918 1.0 1919 1.0 1918 1919 1920 1921 1.0 1922 1.0 1921 1922 1923 1.0 1924 1.0 1923 1924 1925 1.0 1926 1.0 1941 1.0 1925 1926 1927 1.0 1928 1.0 1929 1.0 1927 1928 1929 1930 1.0 1939 1.0 1930 1931 1.0 1932 1.0 1931 1932 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1.0 2009 1.0 2004 2005 2006 1.0 2007 1.0 2008 1.0 2006 2007 2008 2009 2010 1.0 2011 1.0 2010 2011 2012 1.0 2013 1.0 2012 2013 2014 1.0 2015 1.0 2021 1.0 2014 2015 2016 1.0 2017 1.0 2018 1.0 2016 2017 2018 2019 1.0 2020 1.0 2019 2020 2021 2022 1.0 2023 1.0 2022 2023 2024 1.0 2025 1.0 2024 2025 2026 1.0 2027 1.0 2033 1.0 2026 2027 2028 1.0 2029 1.0 2030 1.0 2028 2029 2030 2031 1.0 2032 1.0 2031 2032 2033 2034 1.0 2035 1.0 2034 2035 2036 1.0 2037 1.0 2036 2037 2038 1.0 2039 1.0 2052 1.0 2038 2039 2040 1.0 2041 1.0 2045 1.0 2040 2041 2042 1.0 2043 1.0 2044 1.0 2042 2043 2044 2045 2046 1.0 2047 1.0 2048 1.0 2046 2047 2048 2049 1.0 2050 1.0 2051 1.0 2049 2050 2051 2052 2053 1.0 2054 1.0 2053 2054 2055 1.0 2056 1.0 2055 2056 2057 1.0 2058 1.0 2068 1.0 2057 2058 2059 1.0 2060 1.0 2064 1.0 2059 2060 2061 1.0 2062 1.0 2063 1.0 2061 2062 2063 2064 2065 1.0 2066 1.0 2067 1.0 2065 2066 2067 2068 2069 1.0 2070 1.0 2069 2070 2071 1.0 2072 1.0 2071 2072 2073 1.0 2074 1.0 2082 1.0 2073 2074 2075 1.0 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6917 1.0 6917 6918 6919 1.0 6920 1.0 6919 6920 1.0 6920 6921 6922 1.0 6923 1.0 6922 6923 1.0 6923 6924 6925 1.0 6926 1.0 6925 6926 1.0 6926 6927 6928 1.0 6929 1.0 6928 6929 1.0 6929 6930 6931 1.0 6932 1.0 6931 6932 1.0 6932 6933 6934 1.0 6935 1.0 6934 6935 1.0 6935 6936 6937 1.0 6938 1.0 6937 6938 1.0 6938 6939 6940 1.0 6941 1.0 6940 6941 1.0 6941 6942 6943 1.0 6944 1.0 6943 6944 1.0 6944 6945 6946 1.0 6947 1.0 6946 6947 1.0 6947 6948 6949 1.0 6950 1.0 6949 6950 1.0 6950 6951 6952 1.0 6953 1.0 6952 6953 1.0 6953 6954 6955 1.0 6956 1.0 6955 6956 1.0 6956 6957 6958 1.0 6959 1.0 6958 6959 1.0 6959 6960 6961 1.0 6962 1.0 6961 6962 1.0 6962 6963 6964 1.0 6965 1.0 6964 6965 1.0 6965 6966 6967 1.0 6968 1.0 6967 6968 1.0 6968 6969 6970 1.0 6971 1.0 6970 6971 1.0 6971 6972 6973 1.0 6974 1.0 6973 6974 1.0 6974 6975 6976 1.0 6977 1.0 6976 6977 1.0 6977 6978 6979 1.0 6980 1.0 6979 6980 1.0 6980 6981 6982 1.0 6983 1.0 6982 6983 1.0 6983 6984 6985 1.0 6986 1.0 6985 6986 1.0 6986 6987 6988 1.0 6989 1.0 6988 6989 1.0 6989 6990 6991 1.0 6992 1.0 6991 6992 1.0 6992 6993 6994 1.0 6995 1.0 6994 6995 1.0 6995 6996 6997 1.0 6998 1.0 6997 6998 1.0 6998 6999 7000 1.0 7001 1.0 7000 7001 1.0 7001 7002 7003 1.0 7004 1.0 7003 7004 1.0 7004 7005 7006 1.0 7007 1.0 7006 7007 1.0 7007 7008 7009 1.0 7010 1.0 7009 7010 1.0 7010 7011 7012 1.0 7013 1.0 7012 7013 1.0 7013 7014 7015 1.0 7016 1.0 7015 7016 1.0 7016 7017 7018 1.0 7019 1.0 7018 7019 1.0 7019 7020 7021 1.0 7022 1.0 7021 7022 1.0 7022 7023 7024 1.0 7025 1.0 7024 7025 1.0 7025 7026 7027 1.0 7028 1.0 7027 7028 1.0 7028 7029 7030 1.0 7031 1.0 7030 7031 1.0 7031 7032 7033 1.0 7034 1.0 7033 7034 1.0 7034 7035 7036 1.0 7037 1.0 7036 7037 1.0 7037 7038 7039 1.0 7040 1.0 7039 7040 1.0 7040 7041 7042 1.0 7043 1.0 7042 7043 1.0 7043 7044 7045 1.0 7046 1.0 7045 7046 1.0 7046 7047 7048 1.0 7049 1.0 7048 7049 1.0 7049 7050 7051 1.0 7052 1.0 7051 7052 1.0 7052 7053 7054 1.0 7055 1.0 7054 7055 1.0 7055 7056 7057 1.0 7058 1.0 7057 7058 1.0 7058 7059 7060 1.0 7061 1.0 7060 7061 1.0 7061 7062 7063 1.0 7064 1.0 7063 7064 1.0 7064 7065 7066 1.0 7067 1.0 7066 7067 1.0 7067 7068 7069 1.0 7070 1.0 7069 7070 1.0 7070 7071 7072 1.0 7073 1.0 7072 7073 1.0 7073 7074 7075 1.0 7076 1.0 7075 7076 1.0 7076 7077 7078 1.0 7079 1.0 7078 7079 1.0 7079 7080 7081 1.0 7082 1.0 7081 7082 1.0 7082 7083 7084 1.0 7085 1.0 7084 7085 1.0 7085 7086 7087 1.0 7088 1.0 7087 7088 1.0 7088 7089 7090 1.0 7091 1.0 7090 7091 1.0 7091 7092 7093 1.0 7094 1.0 7093 7094 1.0 7094 7095 7096 1.0 7097 1.0 7096 7097 1.0 7097 7098 7099 1.0 7100 1.0 7099 7100 1.0 7100 7101 7102 1.0 7103 1.0 7102 7103 1.0 7103 7104 7105 1.0 7106 1.0 7105 7106 1.0 7106 7107 7108 1.0 7109 1.0 7108 7109 1.0 7109 7110 7111 1.0 7112 1.0 7111 7112 1.0 7112 7113 7114 1.0 7115 1.0 7114 7115 1.0 7115 7116 7117 1.0 7118 1.0 7117 7118 1.0 7118 7119 7120 1.0 7121 1.0 7120 7121 1.0 7121 7122 7123 1.0 7124 1.0 7123 7124 1.0 7124 7125 7126 1.0 7127 1.0 7126 7127 1.0 7127 7128 7129 1.0 7130 1.0 7129 7130 1.0 7130 7131 7132 1.0 7133 1.0 7132 7133 1.0 7133 7134 7135 1.0 7136 1.0 7135 7136 1.0 7136 7137 7138 1.0 7139 1.0 7138 7139 1.0 7139 7140 7141 1.0 7142 1.0 7141 7142 1.0 7142 7143 7144 1.0 7145 1.0 7144 7145 1.0 7145 7146 7147 1.0 7148 1.0 7147 7148 1.0 7148 7149 7150 1.0 7151 1.0 7150 7151 1.0 7151 7152 7153 1.0 7154 1.0 7153 7154 1.0 7154 7155 7156 1.0 7157 1.0 7156 7157 1.0 7157 7158 7159 1.0 7160 1.0 7159 7160 1.0 7160 7161 7162 1.0 7163 1.0 7162 7163 1.0 7163 7164 7165 1.0 7166 1.0 7165 7166 1.0 7166 VDW C* 1.9080 0.0860 VDW H5 1.3590 0.0150 VDW H4 1.4090 0.0150 VDW HA 1.4590 0.0150 VDW H1 1.3870 0.0157 VDW N3 1.8240 0.1700 VDW N2 1.8240 0.1700 VDW O2 1.6612 0.2100 VDW CN 1.9080 0.0860 VDW NA 1.8240 0.1700 VDW NB 1.8240 0.1700 VDW HS 0.6000 0.0157 VDW HP 1.1000 0.0157 VDW CB 1.9080 0.0860 VDW CC 1.9080 0.0860 VDW OW 1.7683 0.1520 VDW CA 1.9080 0.0860 VDW S 2.0000 0.2500 VDW OH 1.7210 0.2104 VDW CW 1.9080 0.0860 VDW N 1.8240 0.1700 VDW O 1.6612 0.2100 VDW SH 2.0000 0.2500 VDW HC 1.4870 0.0157 VDW H 0.6000 0.0157 VDW CR 1.9080 0.0860 VDW CV 1.9080 0.0860 VDW C 1.9080 0.0860 VDW CT 1.9080 0.1094 HrmStr1 CT H1 340.00 1.0900 HrmStr1 CT HC 340.00 1.0900 HrmStr1 CT HP 340.00 1.0900 HrmStr1 N3 H 434.00 1.0100 HrmStr1 N H 434.00 1.0100 HrmStr1 N2 H 434.00 1.0100 HrmStr1 SH HS 274.00 1.3360 HrmStr1 CV H4 367.00 1.0800 HrmStr1 CR H5 367.00 1.0800 HrmStr1 NA H 434.00 1.0100 HrmStr1 OH HO 553.00 0.9600 HrmStr1 CA HA 367.00 1.0800 HrmStr1 CW H4 367.00 1.0800 HrmStr1 HW HW 553.00 1.5136 HrmStr1 OW HW 553.00 0.9572 HrmStr1 C O 570.00 1.2290 HrmStr1 C N 490.00 1.3350 HrmStr1 S CT 227.00 1.8100 HrmStr1 CT CT 310.00 1.5260 HrmStr1 CT C 317.00 1.5220 HrmStr1 N3 CT 367.00 1.4710 HrmStr1 N CT 337.00 1.4490 HrmStr1 CA N2 481.00 1.3400 HrmStr1 CT N2 337.00 1.4630 HrmStr1 CT SH 237.00 1.8100 HrmStr1 C O2 656.00 1.2500 HrmStr1 NB CV 410.00 1.3940 HrmStr1 CR NB 488.00 1.3350 HrmStr1 NA CR 477.00 1.3430 HrmStr1 CC NA 422.00 1.3850 HrmStr1 CC CV 512.00 1.3750 HrmStr1 CT CC 317.00 1.5040 HrmStr1 CT OH 320.00 1.4100 HrmStr1 CA CA 469.00 1.4000 HrmStr1 CT CA 317.00 1.5100 HrmStr1 C OH 450.00 1.3640 HrmStr1 C CA 469.00 1.4090 HrmStr1 CA CB 469.00 1.4040 HrmStr1 CN CA 469.00 1.4000 HrmStr1 CN CB 447.00 1.4190 HrmStr1 NA CN 428.00 1.3800 HrmStr1 CW NA 427.00 1.3810 HrmStr1 C* CW 546.00 1.3520 HrmStr1 C* CB 388.00 1.4590 HrmStr1 CT C* 317.00 1.4950 HrmStr1 S S 166.00 2.0380 HrmBnd1 HW HW OW 0.00 0.00 HrmBnd1 HW OW HW 0.00 0.00 HrmBnd1 H1 CT HC 35.00 109.5000 #mimick H1-CT-HC HrmBnd1 C N H 50.00 120.0001 HrmBnd1 H1 CT H1 35.00 109.5000 HrmBnd1 S CT H1 50.00 109.5000 HrmBnd1 HC CT CT 50.00 109.5000 HrmBnd1 HC CT HC 35.00 109.5000 HrmBnd1 CT CT H1 50.00 109.5000 HrmBnd1 HP CT CT 50.00 109.5000 HrmBnd1 HP CT C 50.00 109.5000 HrmBnd1 H N3 CT 50.00 109.5000 HrmBnd1 H N3 H 35.00 109.5000 HrmBnd1 N3 CT HP 50.00 109.5000 HrmBnd1 H1 CT C 50.00 109.5000 HrmBnd1 H N CT 50.00 118.0401 HrmBnd1 N CT H1 50.00 109.5000 HrmBnd1 H N2 H 35.00 120.0001 HrmBnd1 CA N2 H 50.00 120.0001 HrmBnd1 H1 CT N2 50.00 109.5000 HrmBnd1 CT N2 H 50.00 118.4001 HrmBnd1 H1 CT SH 50.00 109.5000 HrmBnd1 CT SH HS 43.00 96.0000 HrmBnd1 HC CT C 50.00 109.5000 HrmBnd1 NB CV H4 50.00 120.0001 HrmBnd1 H5 CR NB 50.00 120.0001 HrmBnd1 H NA CR 50.00 120.0001 HrmBnd1 NA CR H5 50.00 120.0001 HrmBnd1 CC NA H 50.00 120.0001 HrmBnd1 CC CV H4 50.00 120.0001 HrmBnd1 HC CT CC 50.00 109.5000 HrmBnd1 HP CT HP 35.00 109.5000 HrmBnd1 H1 CT OH 50.00 109.5000 HrmBnd1 CT OH HO 55.00 108.5000 HrmBnd1 H N H 35.00 120.0001 HrmBnd1 HA CA CA 50.00 120.0001 HrmBnd1 HC CT CA 50.00 109.5000 HrmBnd1 C OH HO 50.00 113.0000 HrmBnd1 C CA HA 50.00 120.0001 HrmBnd1 HA CA CB 50.00 120.0001 HrmBnd1 CN CA HA 50.00 120.0001 HrmBnd1 H NA CN 50.00 123.1001 HrmBnd1 H4 CW NA 50.00 120.0001 HrmBnd1 CW NA H 50.00 120.0001 HrmBnd1 C* CW H4 50.00 120.0001 HrmBnd1 HC CT C* 50.00 109.5000 HrmBnd1 O C N 80.00 122.9001 HrmBnd1 C N CT 50.00 121.9001 HrmBnd1 CT S CT 62.00 98.9000 HrmBnd1 CT CT C 63.00 111.1000 HrmBnd1 CT CT S 50.00 114.7000 HrmBnd1 CT CT CT 40.00 109.5000 HrmBnd1 CT C O 80.00 120.4001 HrmBnd1 CT C N 70.00 116.6000 HrmBnd1 N3 CT CT 80.00 111.2000 HrmBnd1 N3 CT C 80.00 111.2000 HrmBnd1 N CT CT 80.00 109.7000 HrmBnd1 N CT C 63.00 110.1000 HrmBnd1 N2 CA N2 70.00 120.0001 HrmBnd1 CT N2 CA 50.00 123.2001 HrmBnd1 CT CT N2 80.00 111.2000 HrmBnd1 CT CT SH 50.00 108.6000 HrmBnd1 O2 C O2 80.00 126.0001 HrmBnd1 CT C O2 70.00 117.0001 HrmBnd1 CT N CT 50.00 118.0001 HrmBnd1 CR NB CV 70.00 117.0001 HrmBnd1 NA CC CV 70.00 120.0001 HrmBnd1 NA CR NB 70.00 120.0001 HrmBnd1 CC NA CR 70.00 120.0001 HrmBnd1 CC CV NB 70.00 120.0001 HrmBnd1 CT CC NA 70.00 120.0001 HrmBnd1 CT CC CV 70.00 120.0001 HrmBnd1 CT CT CC 63.00 113.1000 HrmBnd1 CT CT OH 50.00 109.5000 HrmBnd1 CA CA CA 63.00 120.0001 HrmBnd1 CT CA CA 70.00 120.0001 HrmBnd1 CT CT CA 63.00 114.0000 HrmBnd1 OH C CA 70.00 120.0001 HrmBnd1 C CA CA 63.00 120.0001 HrmBnd1 CA C CA 63.00 120.0001 HrmBnd1 CA CA CB 63.00 120.0001 HrmBnd1 CA CN CB 63.00 122.7001 HrmBnd1 CN CA CA 63.00 120.0001 HrmBnd1 CN CB CA 63.00 116.2000 HrmBnd1 NA CN CA 70.00 132.8001 HrmBnd1 NA CN CB 70.00 104.4000 HrmBnd1 CW C* CB 63.00 106.4000 HrmBnd1 CW NA CN 70.00 111.6000 HrmBnd1 C* CW NA 70.00 108.7000 HrmBnd1 C* CB CN 63.00 108.8000 HrmBnd1 C* CB CA 63.00 134.9001 HrmBnd1 CT C* CW 70.00 125.0001 HrmBnd1 CT C* CB 70.00 128.6001 HrmBnd1 CT CT C* 63.00 115.6000 HrmBnd1 S S CT 68.00 103.7000 AmbTrs CT CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs O2 C CT CT 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs O2 C CT N3 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N3 CT CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT C O 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT C N 0 0 0 0 0.200 0.200 0.400 0.000 1.0 AmbTrs CT C N CT 0 180 0 0 0.000 2.500 0.000 0.000 1.0 AmbTrs C N CT C 0 0 0 0 0.000 0.270 0.420 0.000 1.0 AmbTrs C N CT CT 0 0 0 0 2.000 2.000 0.400 0.000 1.0 AmbTrs N CT C N 180 180 180 0 0.450 1.580 0.550 0.000 1.0 AmbTrs N CT C O 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N CT CT S 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT S S 0 0 0 0 0.000 0.000 0.333 0.000 1.0 AmbTrs CT N C O 0 180 0 0 0.000 2.500 0.000 0.000 1.0 AmbTrs CT S S CT 0 0 0 0 0.000 3.500 0.600 0.000 1.0 AmbTrs S CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N CT C O2 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N CT CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT CT CT 180 180 0 0 0.200 0.250 0.180 0.000 1.0 AmbTrs CT N CT C 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT N CT CT 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs C CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N CT CT CC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT CC CV 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT CC NA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CC CV NB 0 180 0 0 0.000 5.150 0.000 0.000 1.0 AmbTrs CT CC NA CR 0 180 0 0 0.000 1.400 0.000 0.000 1.0 AmbTrs CC CV NB CR 0 180 0 0 0.000 2.400 0.000 0.000 1.0 AmbTrs CC NA CR NB 0 180 0 0 0.000 2.325 0.000 0.000 1.0 AmbTrs CC CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs NA CR NB CV 0 180 0 0 0.000 5.000 0.000 0.000 1.0 AmbTrs NA CC CV NB 0 180 0 0 0.000 5.150 0.000 0.000 1.0 AmbTrs CR NA CC CV 0 180 0 0 0.000 1.400 0.000 0.000 1.0 AmbTrs N CT CT CA 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT CA CA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CA CA CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CA CA CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N CT CT OH 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs OH CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT CT N2 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT N2 CA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT N2 CA N2 0 180 0 0 0.000 2.400 0.000 0.000 1.0 AmbTrs CA CA CA C 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CA C CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CA C OH 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs N CT CT C* 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT C* CB 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT C* CW 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT C* CB CA 0 180 0 0 0.000 1.675 0.000 0.000 1.0 AmbTrs CT C* CB CN 0 180 0 0 0.000 1.675 0.000 0.000 1.0 AmbTrs CT C* CW NA 0 180 0 0 0.000 6.525 0.000 0.000 1.0 AmbTrs C* CB CA CA 0 180 0 0 0.000 3.500 0.000 0.000 1.0 AmbTrs C* CB CN CA 0 180 0 0 0.000 3.000 0.000 0.000 1.0 AmbTrs C* CB CN NA 0 180 0 0 0.000 3.000 0.000 0.000 1.0 AmbTrs C* CW NA CN 0 180 0 0 0.000 1.500 0.000 0.000 1.0 AmbTrs C* CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CW NA CN CB 0 180 0 0 0.000 1.525 0.000 0.000 1.0 AmbTrs CW NA CN CA 0 180 0 0 0.000 1.525 0.000 0.000 1.0 AmbTrs CW C* CB CA 0 180 0 0 0.000 1.675 0.000 0.000 1.0 AmbTrs CW C* CB CN 0 180 0 0 0.000 1.675 0.000 0.000 1.0 AmbTrs NA CN CB CA 0 180 0 0 0.000 3.000 0.000 0.000 1.0 AmbTrs NA CN CA CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs NA CW C* CB 0 180 0 0 0.000 6.525 0.000 0.000 1.0 AmbTrs CN CB CA CA 0 180 0 0 0.000 3.500 0.000 0.000 1.0 AmbTrs CN CA CA CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CN CB CA 0 180 0 0 0.000 3.000 0.000 0.000 1.0 AmbTrs CA CA CA CB 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CA CN CB 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs N CT CT SH 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs SH CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N3 CT C N 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N3 CT C O 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT CT S 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT S CT 0 0 0 0 0.000 0.000 0.333 0.000 1.0 AmbTrs CT CT CT HC 0 0 0 0 0.000 0.000 0.160 0.000 1.0 AmbTrs C CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs C CT N3 H 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs O2 C CT HP 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N3 CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H N3 CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H N3 CT HP 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs HP CT CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs HP CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs HC CT CT HC 0 0 0 0 0.000 0.000 0.150 0.000 1.0 AmbTrs CT C N H 0 180 0 0 0.000 2.500 0.000 0.000 1.0 AmbTrs HC CT C O 0 0 180 0 0.800 0.000 0.080 0.000 1.0 AmbTrs HC CT C N 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs C N CT H1 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N CT CT H1 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT N H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs S S CT H1 0 0 0 0 0.000 0.000 0.333 0.000 1.0 AmbTrs S CT CT H1 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs C CT N H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs C CT CT H1 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N C CT H1 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs O2 C CT H1 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs H1 CT N H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs H N C O 0 180 0 0 2.000 2.500 0.000 0.000 1.0 AmbTrs O C CT H1 0 0 180 0 0.800 0.000 0.080 0.000 1.0 AmbTrs H1 CT CT H1 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H1 CT CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H1 CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT N CT H1 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs H1 CT CT CC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CC CV H4 0 180 0 0 0.000 5.150 0.000 0.000 1.0 AmbTrs CT CC NA H 0 180 0 0 0.000 1.400 0.000 0.000 1.0 AmbTrs HC CT CC CV 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HC CT CC NA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CC NA CR H5 0 180 0 0 0.000 2.325 0.000 0.000 1.0 AmbTrs NA CC CV H4 0 180 0 0 0.000 5.150 0.000 0.000 1.0 AmbTrs H NA CR NB 0 180 0 0 0.000 2.325 0.000 0.000 1.0 AmbTrs H NA CR H5 0 180 0 0 0.000 2.325 0.000 0.000 1.0 AmbTrs H NA CC CV 0 180 0 0 0.000 1.400 0.000 0.000 1.0 AmbTrs CR NB CV H4 0 180 0 0 0.000 2.400 0.000 0.000 1.0 AmbTrs H5 CR NB CV 0 180 0 0 0.000 5.000 0.000 0.000 1.0 AmbTrs H1 CT CT CA 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CA CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HC CT CA CA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CA CA CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HA CA CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HC CT C O2 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT OH HO 0 0 0 0 0.250 0.000 0.160 0.000 1.0 AmbTrs H1 CT CT OH 0 0 0 0 0.250 0.000 0.000 0.000 1.0 AmbTrs H1 CT OH HO 0 0 0 0 0.000 0.000 0.167 0.000 1.0 AmbTrs HC CT CT OH 0 0 0 0 0.250 0.000 0.000 0.000 1.0 AmbTrs CT CT N2 H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HC CT CT N2 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H1 CT N2 CA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs H1 CT N2 H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N2 CA N2 H 0 180 0 0 0.000 2.400 0.000 0.000 1.0 AmbTrs HA CA CA C 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA C CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA C OH HO 0 180 0 0 0.000 2.300 0.000 0.000 1.0 AmbTrs HA CA C OH 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs H1 CT CT C* 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT C* CW H4 0 180 0 0 0.000 6.525 0.000 0.000 1.0 AmbTrs HC CT C* CB 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HC CT C* CW 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs C* CB CA HA 0 180 0 0 0.000 3.500 0.000 0.000 1.0 AmbTrs C* CW NA H 0 180 0 0 0.000 1.500 0.000 0.000 1.0 AmbTrs H4 CW NA CN 0 180 0 0 0.000 1.500 0.000 0.000 1.0 AmbTrs H4 CW NA H 0 180 0 0 0.000 1.500 0.000 0.000 1.0 AmbTrs H4 CW C* CB 0 180 0 0 0.000 6.525 0.000 0.000 1.0 AmbTrs NA CN CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs H NA CN CB 0 180 0 0 0.000 1.525 0.000 0.000 1.0 AmbTrs H NA CN CA 0 180 0 0 0.000 1.525 0.000 0.000 1.0 AmbTrs CN CB CA HA 0 180 0 0 0.000 3.500 0.000 0.000 1.0 AmbTrs CN CA CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HA CA CN CB 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HA CA CA CB 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CT CT SH HS 0 0 0 0 0.000 0.000 0.250 0.000 1.0 AmbTrs H1 CT CT SH 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H1 CT SH HS 0 0 0 0 0.000 0.000 0.250 0.000 1.0 AmbTrs HP CT C N 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HP CT C O 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HC CT CT S 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT S CT H1 0 0 0 0 0.000 0.000 0.333 0.000 1.0 ImpTrs CT O2 C O2 10.5 180.0 2.0 ImpTrs CT N C O 10.5 180.0 2.0 ImpTrs C CT N CT 1.0 180.0 2.0 ImpTrs CT CV CC NA 1.1 180.0 2.0 ImpTrs CA CA CA CT 1.1 180.0 2.0 ImpTrs N2 N2 CA N2 10.5 180.0 2.0 ImpTrs CA CA C OH 1.1 180.0 2.0 ImpTrs CB CT C* CW 1.1 180.0 2.0 ImpTrs C CT N H 1.1 180.0 2.0 ImpTrs C H N H 1.0 180.0 2.0 ImpTrs CC CR NA H 1.0 180.0 2.0 ImpTrs NA NB CR H5 1.1 180.0 2.0 ImpTrs CC NB CV H4 1.1 180.0 2.0 ImpTrs CA CA CA HA 1.1 180.0 2.0 ImpTrs CT CA N2 H 1.0 180.0 2.0 ImpTrs CA H N2 H 1.0 180.0 2.0 ImpTrs CA C CA HA 1.1 180.0 2.0 ImpTrs C* NA CW H4 1.1 180.0 2.0 ImpTrs CW CN NA H 1.0 180.0 2.0 ImpTrs CN CA CA HA 1.1 180.0 2.0 ImpTrs CA CB CA HA 1.1 180.0 2.0 --Link1-- %mem=54GB %nprocshared=16 %chk=domain-ab-TS3.chk # oniom(mpwpw91/6-31g(d):amber=softfirst)=embedcharge iop(3/76=0594004060) nosymm freq=(noraman,savenormalmodes,modelmodes) geom=connectivity temperature=310 pressure=1.0 2_TSredox1.rtf -12 1 -1 1 -1 1 C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=47) 0 -13.607124 -6.979403 0.606232 H H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=47) 0 -12.975819 -7.588023 1.252930 H H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=47) 0 -13.853639 -6.100843 1.198805 H C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=47) 0 -14.908621 -7.723207 0.345762 H H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=47) 0 -15.593197 -7.112030 -0.255057 H H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=47) 0 -14.755506 -8.652856 -0.202693 H C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=47) 0 -15.664045 -8.030953 1.656208 H O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=47) 0 -16.165934 -9.173101 1.774679 H O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=47) 0 -15.725289 -7.115109 2.495181 H C-CT--0.027500(PDBName=CA,ResName=TRP,ResNum=52) 0 -24.975009 -13.863729 -3.414412 L H-H1-0.112300(PDBName=HA,ResName=TRP,ResNum=52) 0 -25.546437 -14.013838 -2.498354 L C-C-0.597300(PDBName=C,ResName=TRP,ResNum=52) 0 -23.863925 -14.935547 -3.418033 L O-O--0.567900(PDBName=O,ResName=TRP,ResNum=52) 0 -24.211972 -16.100519 -3.208950 L N-N--0.415700(PDBName=N,ResName=CYM,ResNum=53) 0 -22.575166 -14.606006 -3.636891 L H-HC 16 0.0000 H-H-0.271900(PDBName=H,ResName=CYM,ResNum=53) 0 -22.309111 -13.632713 -3.721598 L C-CT--0.035100(PDBName=CA,ResName=CYM,ResNum=53) 0 -21.527653 -15.611461 -3.869999 H H-H1-0.050800(PDBName=HA,ResName=CYM,ResNum=53) 0 -21.928209 -16.393302 -4.511440 H C-CT--0.241300(PDBName=CB,ResName=CYM,ResNum=53) 0 -20.356428 -14.992148 -4.631202 H H-H1-0.112200(PDBName=HB3,ResName=CYM,ResNum=53) 0 -20.043738 -14.058147 -4.170824 H H-H1-0.112200(PDBName=HB2,ResName=CYM,ResNum=53) 0 -20.652514 -14.760048 -5.653029 H S-SH--0.884400(PDBName=SG,ResName=CYM,ResNum=53) 0 -18.890216 -16.078709 -4.721789 H C-C-0.597300(PDBName=C,ResName=CYM,ResNum=53) 0 -21.125221 -16.189333 -2.540376 H O-O--0.567900(PDBName=O,ResName=CYM,ResNum=53) 0 -20.742824 -15.469755 -1.619849 H N-N--0.415700(PDBName=N,ResName=GLY,ResNum=54) 0 -21.171763 -17.524608 -2.419230 H H-H-0.271900(PDBName=H,ResName=GLY,ResNum=54) 0 -21.593283 -18.052934 -3.174856 H C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=54) 0 -20.850453 -18.195213 -1.188449 H H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=54) 0 -21.559324 -17.969150 -0.395511 H H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=54) 0 -20.884659 -19.268629 -1.368462 H C-C-0.597300(PDBName=C,ResName=GLY,ResNum=54) 0 -19.470431 -17.856510 -0.661879 H O-O--0.567900(PDBName=O,ResName=GLY,ResNum=54) 0 -19.245438 -17.814514 0.540642 H N-N--0.415700(PDBName=N,ResName=HID,ResNum=55) 0 -18.541590 -17.645485 -1.597068 H H-H-0.271900(PDBName=H,ResName=HID,ResNum=55) 0 -18.820434 -17.613239 -2.570736 H C-CT-0.018800(PDBName=CA,ResName=HID,ResNum=55) 0 -17.171964 -17.342916 -1.280789 H H-H1-0.088100(PDBName=HA,ResName=HID,ResNum=55) 0 -16.830108 -18.018379 -0.497601 H C-CT--0.046200(PDBName=CB,ResName=HID,ResNum=55) 0 -16.331841 -17.533162 -2.552754 H H-HC-0.040200(PDBName=HB2,ResName=HID,ResNum=55) 0 -16.728415 -16.885102 -3.333743 H H-HC-0.040200(PDBName=HB3,ResName=HID,ResNum=55) 0 -15.315126 -17.203911 -2.370502 H C-CC--0.026600(PDBName=CG,ResName=HID,ResNum=55) 0 -16.347158 -18.943344 -3.022359 H N-NA--0.381100(PDBName=ND1,ResName=HID,ResNum=55) 0 -15.483017 -19.903565 -2.553310 H H-H-0.364900(PDBName=HD1,ResName=HID,ResNum=55) 0 -14.574659 -19.742251 -2.136719 H C-CR-0.205700(PDBName=CE1,ResName=HID,ResNum=55) 0 -15.820227 -21.070306 -3.127419 H H-H5-0.139200(PDBName=HE1,ResName=HID,ResNum=55) 0 -15.269627 -21.979593 -2.968140 H N-NB--0.572700(PDBName=NE2,ResName=HID,ResNum=55) 0 -16.873487 -20.943975 -3.895475 H C-CV-0.129200(PDBName=CD2,ResName=HID,ResNum=55) 0 -17.201090 -19.614359 -3.848633 H H-H4-0.114700(PDBName=HD2,ResName=HID,ResNum=55) 0 -18.011748 -19.212153 -4.433108 H C-C-0.597300(PDBName=C,ResName=HID,ResNum=55) 0 -17.010203 -15.941640 -0.695418 H O-O--0.567900(PDBName=O,ResName=HID,ResNum=55) 0 -16.167100 -15.705004 0.163297 H N-N--0.415700(PDBName=N,ResName=CYS,ResNum=56) 0 -17.838891 -15.009458 -1.177360 H H-H-0.271900(PDBName=H,ResName=CYS,ResNum=56) 0 -18.565243 -15.295838 -1.815161 H C-CT-0.021300(PDBName=CA,ResName=CYS,ResNum=56) 0 -17.887475 -13.679810 -0.620251 H H-H1-0.112400(PDBName=HA,ResName=CYS,ResNum=56) 0 -16.882876 -13.287644 -0.489161 H C-CT--0.123100(PDBName=CB,ResName=CYS,ResNum=56) 0 -18.664053 -12.719986 -1.509221 H H-H1-0.111200(PDBName=HB2,ResName=CYS,ResNum=56) 0 -19.687067 -13.041681 -1.685653 H H-H1-0.111200(PDBName=HB3,ResName=CYS,ResNum=56) 0 -18.645039 -11.756940 -1.003286 H S-SH--0.311900(PDBName=SG,ResName=CYS,ResNum=56) 0 -17.838614 -12.398432 -3.083110 H H-HS-0.193300(PDBName=HG,ResName=CYS,ResNum=56) 0 -18.063148 -13.564182 -3.707989 H C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=120) 0 -11.835600 -15.754428 1.385856 H H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=120) 0 -12.211210 -16.771030 1.481465 H H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=120) 0 -12.588831 -15.063045 1.754851 H N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=120) 0 -11.506330 -15.471444 0.009795 H H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=120) 0 -10.609722 -15.054112 -0.203947 H C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=120) 0 -12.101335 -16.074169 -1.009510 H N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=120) 0 -13.229663 -16.755607 -0.830626 H H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=120) 0 -13.893645 -16.511611 -0.115719 H H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=120) 0 -13.509278 -17.340702 -1.612432 H N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=120) 0 -11.575476 -15.999599 -2.221322 H H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=120) 0 -10.627688 -15.682367 -2.345458 H H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=120) 0 -12.053038 -16.422249 -3.005412 H C-CT-0.090430(PDBName=C1,ResName=GDS,ResNum=238) 0 -11.908993 -19.254824 -4.800560 H C-C-0.795436(PDBName=C15,ResName=GDS,ResNum=238) 0 -12.620352 -19.135753 -3.453210 H O-O2--0.768529(PDBName=O1,ResName=GDS,ResNum=238) 0 -12.625968 -20.129768 -2.697996 H O-O2--0.768529(PDBName=O2,ResName=GDS,ResNum=238) 0 -13.184965 -18.047276 -3.241735 H N-N3--0.516764(PDBName=N1,ResName=GDS,ResNum=238) 0 -10.994804 -20.428031 -4.749422 H H-H-0.336685(PDBName=H21,ResName=GDS,ResNum=238) 0 -11.507788 -21.304985 -4.673178 H H-H-0.336685(PDBName=H22,ResName=GDS,ResNum=238) 0 -10.376882 -20.369229 -3.929149 H H-H-0.336685(PDBName=H25,ResName=GDS,ResNum=238) 0 -10.404603 -20.500743 -5.587203 H H-HP-0.075961(PDBName=H5,ResName=GDS,ResNum=238) 0 -11.274635 -18.383932 -4.947199 H C-CT-0.021774(PDBName=C7,ResName=GDS,ResNum=238) 0 -12.899604 -19.387119 -5.961457 H H-HC-0.040870(PDBName=H9,ResName=GDS,ResNum=238) 0 -13.631931 -20.161412 -5.725224 H H-HC-0.040870(PDBName=H10,ResName=GDS,ResNum=238) 0 -12.364560 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C-C-0.499365(PDBName=C19,ResName=GDS,ResNum=238) 0 -22.787048 -18.711180 -10.575861 H N-N--0.214693(PDBName=N4,ResName=GDS,ResNum=238) 0 -23.413197 -17.529030 -10.725623 H C-CT--0.457591(PDBName=C4,ResName=GDS,ResNum=238) 0 -24.409494 -17.181917 -11.694875 H H-H1-0.143996(PDBName=H3,ResName=GDS,ResNum=238) 0 -25.303631 -17.792609 -11.654983 H H-H1-0.143996(PDBName=H4,ResName=GDS,ResNum=238) 0 -24.055008 -17.134613 -12.718930 H H-H-0.267948(PDBName=H30,ResName=GDS,ResNum=238) 0 -23.327918 -16.805466 -10.039063 H O-O--0.591564(PDBName=O11,ResName=GDS,ResNum=238) 0 -22.907090 -19.620909 -11.383504 H N-N--0.847389(PDBName=N5,ResName=GDS,ResNum=238) 0 -22.232489 -19.970945 -8.616695 H C-C-1.051032(PDBName=C14,ResName=GDS,ResNum=238) 0 -22.893594 -19.864797 -7.460572 H C-CT--0.669382(PDBName=C12,ResName=GDS,ResNum=238) 0 -23.373179 -21.192392 -6.915898 H H-HC-0.225501(PDBName=H19,ResName=GDS,ResNum=238) 0 -22.526617 -21.769570 -6.560208 H H-HC-0.225501(PDBName=H20,ResName=GDS,ResNum=238) 0 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H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=373) 0 -17.246992 -11.478382 0.877883 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=800) 0 413.710468 -10.178505 -29.085788 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=800) 0 413.378253 -11.069204 -29.197743 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=800) 0 412.926343 -9.644951 -28.956461 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1001) 0 -19.464767 -15.045644 -10.511331 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1001) 0 -20.367131 -15.139036 -10.923868 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1001) 0 -18.928596 -15.228837 -11.325476 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1076) 0 -13.585932 -19.640873 -11.852370 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1076) 0 -13.256257 -18.829386 -12.280386 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1076) 0 -14.388581 -19.377674 -11.395230 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1088) 0 -19.237756 -22.584460 -9.194892 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1088) 0 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H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1283) 0 -20.527746 -23.764574 -6.459711 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1283) 0 -20.095600 -23.635742 -7.943386 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=249) 0 -12.233259 -15.318345 -5.151803 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=249) 0 -13.198699 -15.331626 -5.277313 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=249) 0 -12.093620 -14.376188 -4.912115 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=265) 0 -24.361999 -18.770926 -1.765676 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=265) 0 -23.775943 -18.801050 -2.548899 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=265) 0 -23.948372 -19.457248 -1.200072 L N-N3-0.159200(PDBName=N,ResName=MET,ResNum=1) 0 -13.520262 23.401959 -13.190976 L H-H-0.198400(PDBName=H1,ResName=MET,ResNum=1) 0 -14.004524 22.534662 -13.379334 L H-H-0.198400(PDBName=H2,ResName=MET,ResNum=1) 0 -12.569961 23.185283 -12.911751 L H-H-0.198400(PDBName=H3,ResName=MET,ResNum=1) 0 -13.471377 23.933373 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27.221369 -11.177866 L H-H1-0.059700(PDBName=HE3,ResName=MET,ResNum=1) 0 -18.505958 26.698134 -9.953673 L C-C-0.612300(PDBName=C,ResName=MET,ResNum=1) 0 -14.090933 23.408287 -10.829128 L O-O--0.571300(PDBName=O,ResName=MET,ResNum=1) 0 -14.920125 22.558268 -10.497222 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=2) 0 -13.000558 23.664086 -10.108522 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=2) 0 -12.399512 24.430176 -10.402971 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=2) 0 -12.624982 22.937913 -8.899160 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=2) 0 -12.994900 21.917883 -8.990864 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=2) 0 -11.086388 22.873637 -8.819075 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=2) 0 -10.717475 22.343595 -9.697722 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=2) 0 -10.683425 23.887726 -8.844836 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=2) 0 -10.548257 22.170489 -7.558579 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=2) 0 -10.764149 22.775363 -6.679810 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=2) 0 -11.160645 20.789749 -7.356833 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=2) 0 -10.950578 20.153783 -8.216665 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=2) 0 -10.732260 20.340426 -6.464736 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=2) 0 -12.232402 20.859492 -7.197838 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=2) 0 -9.036996 22.015197 -7.660216 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=2) 0 -8.587528 22.998096 -7.773708 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=2) 0 -8.652102 21.554792 -6.749738 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=2) 0 -8.775999 21.389923 -8.514063 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=2) 0 -13.282582 23.553631 -7.658238 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=2) 0 -12.691656 24.407438 -6.992401 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=3) 0 -14.514056 23.134204 -7.346026 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=3) 0 -14.974885 22.477401 -7.965236 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=3) 0 -15.236469 23.568016 -6.139075 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=3) 0 -14.521613 23.561799 -5.317150 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=3) 0 -15.728651 25.014644 -6.347854 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=3) 0 -15.243604 25.445014 -7.221941 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=3) 0 -16.799189 25.038713 -6.532867 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=3) 0 -15.375808 25.894357 -5.144127 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=3) 0 -15.995909 25.606716 -4.298431 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=3) 0 -14.325667 25.754820 -4.882647 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=3) 0 -15.594867 27.373001 -5.469923 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=3) 0 -14.952432 27.635289 -6.310270 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=3) 0 -16.630683 27.538536 -5.766012 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=3) 0 -15.259611 28.233946 -4.327287 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=3) 0 -14.379360 28.730865 -4.350750 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=3) 0 -15.968791 28.391363 -3.228982 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=3) 0 -17.126116 27.832967 -3.040673 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=3) 0 -17.542133 27.259822 -3.765393 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=3) 0 -17.582611 27.963881 -2.157191 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=3) 0 -15.500823 29.116990 -2.265794 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=3) 0 -14.603284 29.566772 -2.387223 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=3) 0 -15.965166 29.126951 -1.367138 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=3) 0 -16.355491 22.598311 -5.734946 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=3) 0 -16.714065 21.717004 -6.512079 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=4) 0 -16.821548 22.725555 -4.487480 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=4) 0 -16.412226 23.482304 -3.948768 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=4) 0 -17.760635 21.875466 -3.724691 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=4) 0 -17.347196 21.860900 -2.716677 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=4) 0 -19.148311 22.518913 -3.581903 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=4) 0 -19.039738 23.585372 -3.377401 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=4) 0 -19.716502 22.396399 -4.499305 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=4) 0 -19.909326 21.869057 -2.419193 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=4) 0 -19.899208 20.783265 -2.521141 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=4) 0 -19.419460 22.135910 -1.483008 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=4) 0 -21.365234 22.326720 -2.392759 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=4) 0 -21.408238 23.414950 -2.315964 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=4) 0 -21.830962 22.013194 -3.327370 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=4) 0 -22.075522 21.717654 -1.259164 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=4) 0 -21.508347 21.374121 -0.489812 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=4) 0 -23.378212 21.604250 -1.110823 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=4) 0 -24.227360 22.063381 -1.979259 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=4) 0 -23.899953 22.498183 -2.837253 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=4) 0 -25.215272 21.958294 -1.795817 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=4) 0 -23.879721 21.011109 -0.072213 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=4) 0 -23.289862 20.560681 0.619592 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=4) 0 -24.886312 20.920650 -0.037863 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=4) 0 -17.799391 20.394734 -4.109060 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=4) 0 -17.089928 19.617159 -3.482121 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=5) 0 -18.601110 19.993129 -5.097447 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=5) 0 -19.122609 20.693574 -5.613761 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=5) 0 -18.730529 18.593505 -5.522670 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=5) 0 -18.851804 17.984021 -4.624884 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=5) 0 -20.011713 18.450223 -6.354358 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=5) 0 -19.910865 18.999566 -7.290127 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=5) 0 -20.190176 17.397561 -6.578146 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=5) 0 -20.864655 18.838333 -5.796355 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=5) 0 -17.484948 18.033337 -6.250229 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=5) 0 -17.521284 16.906563 -6.749759 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=6) 0 -16.400073 18.810367 -6.324823 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=6) 0 -16.504985 19.772954 -6.034976 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=6) 0 -15.083369 18.393916 -6.806500 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=6) 0 -15.098230 17.312390 -6.945741 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=6) 0 -14.839682 19.089483 -8.161802 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=6) 0 -15.793473 19.292737 -8.653069 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=6) 0 -14.362299 20.051375 -7.976651 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=6) 0 -13.976380 18.258082 -9.124769 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=6) 0 -13.110773 17.844796 -8.609769 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=6) 0 -14.795239 17.119174 -9.725661 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=6) 0 -15.665741 17.516946 -10.240705 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=6) 0 -14.183709 16.562332 -10.430748 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=6) 0 -15.127939 16.440286 -8.942936 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=6) 0 -13.481335 19.138763 -10.268121 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=6) 0 -12.792897 19.882946 -9.876126 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=6) 0 -12.951464 18.523984 -10.994432 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=6) 0 -14.318582 19.637271 -10.753041 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=6) 0 -13.941157 18.682004 -5.807217 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=6) 0 -12.778927 18.422346 -6.126631 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=7) 0 -14.218692 19.236191 -4.619220 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=7) 0 -15.184815 19.243522 -4.307560 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=7) 0 -13.204602 19.832760 -3.736588 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=7) 0 -12.216305 19.477754 -4.033200 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=7) 0 -13.247483 21.360420 -3.942140 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=7) 0 -13.047517 21.575798 -4.991911 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=7) 0 -14.255417 21.704587 -3.709687 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=7) 0 -12.261208 22.166231 -3.076043 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=7) 0 -12.474308 22.002804 -2.019925 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=7) 0 -10.810067 21.787134 -3.355653 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=7) 0 -10.587295 21.876366 -4.417811 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=7) 0 -10.153067 22.449739 -2.799530 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=7) 0 -10.612329 20.766914 -3.029645 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=7) 0 -12.425457 23.657290 -3.366708 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=7) 0 -13.448363 23.964697 -3.155875 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=7) 0 -11.754716 24.231530 -2.727333 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=7) 0 -12.186913 23.861509 -4.408498 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=7) 0 -13.394655 19.473745 -2.254352 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=7) 0 -14.381363 19.875231 -1.633628 L N-N--0.415700(PDBName=N,ResName=CYS,ResNum=8) 0 -12.385811 18.841384 -1.651636 L H-H-0.271900(PDBName=H,ResName=CYS,ResNum=8) 0 -11.601989 18.529266 -2.216190 L C-CT-0.021300(PDBName=CA,ResName=CYS,ResNum=8) 0 -12.289047 18.686498 -0.201008 L H-H1-0.112400(PDBName=HA,ResName=CYS,ResNum=8) 0 -13.237590 18.295769 0.172726 L C-CT--0.123100(PDBName=CB,ResName=CYS,ResNum=8) 0 -11.187115 17.676746 0.129719 L H-H1-0.111200(PDBName=HB2,ResName=CYS,ResNum=8) 0 -11.292888 16.802750 -0.507307 L H-H1-0.111200(PDBName=HB3,ResName=CYS,ResNum=8) 0 -10.203954 18.116283 -0.045991 L S-SH--0.311900(PDBName=SG,ResName=CYS,ResNum=8) 0 -11.342658 17.186955 1.870448 L H-HS-0.193300(PDBName=HG,ResName=CYS,ResNum=8) 0 -12.425187 16.407910 1.704172 L C-C-0.597300(PDBName=C,ResName=CYS,ResNum=8) 0 -12.012143 20.045199 0.459771 L O-O--0.567900(PDBName=O,ResName=CYS,ResNum=8) 0 -10.884118 20.542747 0.448035 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=9) 0 -13.044671 20.667467 1.022746 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=9) 0 -13.948071 20.209926 1.011563 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=9) 0 -12.965120 21.990687 1.636908 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=9) 0 -12.140616 22.532905 1.174079 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=9) 0 -14.283007 22.722059 1.333565 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=9) 0 -14.639673 22.443833 0.339984 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=9) 0 -15.030757 22.396809 2.056746 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=9) 0 -14.152705 24.246619 1.389102 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=9) 0 -13.610842 24.527717 2.288588 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=9) 0 -13.428129 24.795353 0.156049 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=9) 0 -13.979273 24.565061 -0.749208 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=9) 0 -13.322264 25.874688 0.236761 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=9) 0 -12.434224 24.361768 0.067549 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=9) 0 -15.543606 24.864040 1.459935 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=9) 0 -16.009227 24.583858 2.403676 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=9) 0 -15.465147 25.946470 1.415232 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=9) 0 -16.158966 24.506791 0.637680 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=9) 0 -12.670144 21.885741 3.142417 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=9) 0 -13.098310 20.922853 3.780766 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=10) 0 -11.967610 22.866760 3.716578 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=10) 0 -11.654712 23.639438 3.140454 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=10) 0 -11.604370 22.902349 5.137788 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=10) 0 -11.301623 21.902969 5.451300 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=10) 0 -10.393997 23.834293 5.297653 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=10) 0 -10.657201 24.851569 5.005456 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=10) 0 -10.069204 23.832800 6.338815 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=10) 0 -9.571178 23.487295 4.672297 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=10) 0 -12.805707 23.328787 6.005241 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=10) 0 -13.016285 24.522202 6.244352 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=11) 0 -13.665821 22.377607 6.386550 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=11) 0 -13.438452 21.411944 6.160623 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=11) 0 -15.022509 22.669211 6.893309 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=11) 0 -14.960548 23.540051 7.545639 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=11) 0 -15.890609 23.049439 5.665813 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=11) 0 -15.252757 23.584469 4.960670 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=11) 0 -16.439665 21.845372 4.897181 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=11) 0 -17.343100 21.450828 5.358526 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=11) 0 -16.667091 22.147159 3.880161 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=11) 0 -15.686121 21.059509 4.855091 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=11) 0 -16.995701 24.050395 6.012226 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=11) 0 -16.565668 24.909206 6.528341 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=11) 0 -17.455915 24.404392 5.092636 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=11) 0 -17.763842 23.603652 6.635451 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=11) 0 -15.590331 21.513296 7.748900 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=11) 0 -14.826422 20.679406 8.241361 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=12) 0 -16.910130 21.477199 7.969722 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=12) 0 -17.467833 22.227612 7.595431 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=12) 0 -17.642530 20.354754 8.561686 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=12) 0 -17.009027 19.465670 8.558141 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=12) 0 -17.960399 20.698743 10.023485 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=12) 0 -18.569513 21.602102 10.077412 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=12) 0 -18.505176 19.871938 10.481181 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=12) 0 -17.032234 20.853602 10.575172 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=12) 0 -18.904126 20.016992 7.733334 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=12) 0 -19.996588 20.538667 7.980362 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=13) 0 -18.752824 19.168660 6.718228 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=13) 0 -17.812302 18.824443 6.537386 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=13) 0 -19.822595 18.604207 5.890095 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=13) 0 -20.789542 18.923136 6.276327 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=13) 0 -19.677592 19.150854 4.463952 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=13) 0 -18.710494 18.859201 4.049558 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=13) 0 -20.468288 18.750197 3.828743 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=13) 0 -19.747502 20.238971 4.475059 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=13) 0 -19.794720 17.063102 5.935064 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=13) 0 -18.744237 16.480257 6.214622 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=14) 0 -20.932399 16.410522 5.662423 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=14) 0 -21.744179 16.979022 5.462951 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=14) 0 -21.142143 14.950569 5.696171 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=14) 0 -22.219143 14.795108 5.620513 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=14) 0 -20.555237 14.327896 4.411786 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=14) 0 -21.130603 14.715617 3.569484 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=14) 0 -19.539069 14.689084 4.287276 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=14) 0 -20.518813 12.792062 4.303374 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=14) 0 -19.852027 12.387368 5.060007 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=14) 0 -21.888587 12.144863 4.482244 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=14) 0 -22.563456 12.485352 3.702151 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=14) 0 -21.788500 11.061230 4.411772 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=14) 0 -22.299271 12.383831 5.462065 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=14) 0 -19.967929 12.421560 2.925262 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=14) 0 -18.942074 12.776957 2.829629 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=14) 0 -19.976662 11.341959 2.797459 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=14) 0 -20.573920 12.871639 2.142825 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=14) 0 -20.758763 14.302032 7.048203 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=14) 0 -21.625171 14.187055 7.917523 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=15) 0 -19.495865 13.930716 7.262481 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=15) 0 -18.837494 14.092111 6.507614 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=15) 0 -18.936893 13.449894 8.545676 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=15) 0 -19.463648 13.942955 9.363359 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=15) 0 -19.148765 11.924900 8.687947 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=15) 0 -20.201812 11.719256 8.498686 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=15) 0 -18.326277 11.092046 7.698475 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=15) 0 -17.262749 11.242867 7.873254 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=15) 0 -18.550794 10.033332 7.830861 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=15) 0 -18.568895 11.371049 6.676125 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=15) 0 -18.848500 11.434792 10.105147 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=15) 0 -19.459249 11.984729 10.816535 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=15) 0 -19.092988 10.375605 10.184232 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=15) 0 -17.796340 11.564534 10.351420 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=15) 0 -17.454090 13.833030 8.651653 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=15) 0 -16.794528 13.971805 7.618604 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=16) 0 -16.893884 14.014537 9.854569 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=16) 0 -17.472572 13.912027 10.683446 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=16) 0 -15.448172 14.261424 10.028756 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=16) 0 -15.184304 15.154096 9.463114 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=16) 0 -15.126223 14.510004 11.512649 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=16) 0 -15.831337 15.229498 11.923210 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=16) 0 -15.259389 13.573521 12.054193 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=16) 0 -13.702808 15.050894 11.751291 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=16) 0 -12.992378 14.611230 11.058690 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=16) 0 -13.696154 16.132192 11.608999 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=16) 0 -13.234008 14.706278 13.163934 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=16) 0 -13.890322 15.196812 13.879497 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=16) 0 -13.316158 13.628726 13.313506 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=16) 0 -11.847532 15.129724 13.416847 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=16) 0 -11.719927 15.911471 14.048608 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=16) 0 -10.752449 14.454958 13.124254 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=16) 0 -10.740269 13.354718 12.434849 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=16) 0 -11.603217 12.912762 12.135944 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=16) 0 -9.879227 12.832585 12.389035 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=16) 0 -9.592008 14.859468 13.538522 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=16) 0 -9.520847 15.609461 14.211973 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=16) 0 -8.816415 14.223927 13.406850 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=16) 0 -14.613734 13.084504 9.502675 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=16) 0 -14.977745 11.928199 9.716348 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=17) 0 -13.453039 13.382758 8.916844 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=17) 0 -13.243981 14.360021 8.753908 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=17) 0 -12.400197 12.413619 8.612566 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=17) 0 -12.770955 11.759297 7.828250 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=17) 0 -11.187261 13.179987 8.074459 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=17) 0 -10.783101 13.835537 8.847313 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=17) 0 -10.410649 12.483694 7.754832 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=17) 0 -11.488344 13.779935 7.216895 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=17) 0 -12.026824 11.507336 9.805157 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=17) 0 -12.431295 11.749773 10.942603 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=18) 0 -11.287211 10.433038 9.523201 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=18) 0 -10.957807 10.358620 8.570283 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=18) 0 -11.244968 9.170981 10.284175 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=18) 0 -10.513407 8.549284 9.768502 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=18) 0 -10.693351 9.347802 11.708709 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=18) 0 -9.733982 9.863052 11.658391 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=18) 0 -11.374263 9.953216 12.304972 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=18) 0 -10.506040 7.995891 12.400430 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=18) 0 -9.549623 7.271107 12.043999 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=18) 0 -11.320350 7.659587 13.298672 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=18) 0 -12.556863 8.362546 10.236712 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=18) 0 -12.497751 7.134696 10.265306 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=19) 0 -13.721535 8.990904 10.045708 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=19) 0 -13.735360 10.001979 10.057286 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=19) 0 -14.888319 8.318369 9.478319 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=19) 0 -14.805095 7.245916 9.637704 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=19) 0 -16.167201 8.740167 10.205880 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=19) 0 -16.350999 9.800383 10.054989 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=19) 0 -17.013547 8.181257 9.804486 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=19) 0 -16.077427 8.532053 11.270597 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=19) 0 -14.955037 8.606414 7.965499 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=19) 0 -15.225754 9.742570 7.569890 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=20) 0 -14.719019 7.610724 7.098510 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=20) 0 -14.143049 6.312983 7.409761 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=20) 0 -14.794663 5.740409 8.070567 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=20) 0 -13.163090 6.443471 7.865678 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=20) 0 -14.001145 5.589152 6.076043 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=20) 0 -14.786619 4.839830 5.979962 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=20) 0 -13.014945 5.144012 6.001936 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=20) 0 -14.193961 6.671604 5.019056 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=20) 0 -14.572208 6.266294 4.080268 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=20) 0 -13.244014 7.175700 4.847964 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=20) 0 -15.165217 7.633328 5.710822 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=20) 0 -15.087395 8.626665 5.268403 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=20) 0 -16.632439 7.166873 5.687254 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=20) 0 -17.326426 7.203770 6.710306 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=21) 0 -17.119698 6.645983 4.561226 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=21) 0 -16.534593 6.599031 3.742336 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=21) 0 -18.294710 5.778995 4.636818 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=21) 0 -18.931025 6.215717 5.392940 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=21) 0 -19.094078 5.785017 3.328190 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=21) 0 -19.170907 6.810453 2.967631 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=21) 0 -18.573143 5.197779 2.571643 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=21) 0 -20.516092 5.240041 3.527043 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=21) 0 -21.082938 5.437731 2.616549 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=21) 0 -20.462232 4.160310 3.677337 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=21) 0 -21.221135 5.889750 4.727401 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=21) 0 -21.721067 7.033424 4.609203 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=21) 0 -21.102258 5.354032 5.856856 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=21) 0 -17.897537 4.379903 5.135095 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=21) 0 -16.912557 3.825048 4.657243 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=22) 0 -18.613462 3.819532 6.115992 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=22) 0 -19.479373 4.267759 6.399175 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=22) 0 -18.269168 2.542776 6.767425 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=22) 0 -17.909950 1.868986 5.995357 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=22) 0 -17.112893 2.705199 7.777958 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=22) 0 -16.963737 1.745801 8.275845 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=22) 0 -16.193918 2.935141 7.240169 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=22) 0 -17.316353 3.791756 8.840500 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=22) 0 -17.094018 4.770131 8.409722 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=22) 0 -18.355391 3.797271 9.162549 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=22) 0 -16.421131 3.537509 10.055903 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=22) 0 -15.201408 3.816678 10.004580 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=22) 0 -16.936075 3.052222 11.097669 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=22) 0 -19.471615 1.837948 7.430076 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=22) 0 -20.384310 2.484071 7.953082 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=23) 0 -19.450488 0.503338 7.420198 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=23) 0 -18.638663 0.052465 6.999453 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=23) 0 -20.424701 -0.423624 8.019591 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=23) 0 -21.002993 0.077876 8.796525 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=23) 0 -21.372963 -0.987372 6.943711 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=23) 0 -20.762567 -1.441504 6.162916 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=23) 0 -21.978288 -1.775202 7.394017 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=23) 0 -22.323366 0.041549 6.306389 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=23) 0 -23.044004 0.361322 7.059687 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=23) 0 -21.752266 0.916223 5.995134 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=23) 0 -23.072853 -0.499153 5.074318 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=23) 0 -22.935058 -1.702394 4.727372 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=23) 0 -23.797768 0.292634 4.424060 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=23) 0 -19.643138 -1.594441 8.640228 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=23) 0 -18.709314 -2.089650 8.015720 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=24) 0 -19.974986 -2.041818 9.857318 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=24) 0 -20.777392 -1.639576 10.316654 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=24) 0 -19.127374 -2.965867 10.647346 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=24) 0 -19.543390 -2.997065 11.655219 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=24) 0 -19.186252 -4.405879 10.100534 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=24) 0 -18.763339 -4.443770 9.095845 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=24) 0 -18.571522 -5.036249 10.740815 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=24) 0 -20.584860 -5.007558 10.091832 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=24) 0 -21.060696 -5.433314 9.010176 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=24) 0 -21.182796 -5.146700 11.179793 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=24) 0 -17.664734 -2.479647 10.812330 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=24) 0 -16.739234 -3.278497 10.968018 L N-N--0.415700(PDBName=N,ResName=HID,ResNum=25) 0 -17.434135 -1.165133 10.735418 L H-H-0.271900(PDBName=H,ResName=HID,ResNum=25) 0 -18.243616 -0.556370 10.659755 L C-CT-0.018800(PDBName=CA,ResName=HID,ResNum=25) 0 -16.125221 -0.511740 10.588518 L H-H1-0.088100(PDBName=HA,ResName=HID,ResNum=25) 0 -16.342406 0.545232 10.447545 L C-CT--0.046200(PDBName=CB,ResName=HID,ResNum=25) 0 -15.316005 -0.607904 11.889453 L H-HC-0.040200(PDBName=HB2,ResName=HID,ResNum=25) 0 -15.012492 -1.641975 12.056750 L H-HC-0.040200(PDBName=HB3,ResName=HID,ResNum=25) 0 -14.411941 -0.006916 11.793522 L C-CC--0.026600(PDBName=CG,ResName=HID,ResNum=25) 0 -16.085003 -0.113753 13.085518 L N-NA--0.381100(PDBName=ND1,ResName=HID,ResNum=25) 0 -16.710734 1.106123 13.200593 L H-H-0.364900(PDBName=HD1,ResName=HID,ResNum=25) 0 -16.771488 1.818423 12.474969 L C-CR-0.205700(PDBName=CE1,ResName=HID,ResNum=25) 0 -17.312229 1.157241 14.399208 L H-H5-0.139200(PDBName=HE1,ResName=HID,ResNum=25) 0 -17.899321 1.991741 14.765087 L N-NB--0.572700(PDBName=NE2,ResName=HID,ResNum=25) 0 -17.083427 0.021687 15.081355 L C-CV-0.129200(PDBName=CD2,ResName=HID,ResNum=25) 0 -16.324593 -0.803316 14.241000 L H-H4-0.114700(PDBName=HD2,ResName=HID,ResNum=25) 0 -15.989712 -1.809041 14.460272 L C-C-0.597300(PDBName=C,ResName=HID,ResNum=25) 0 -15.323871 -0.895132 9.330793 L O-O--0.567900(PDBName=O,ResName=HID,ResNum=25) 0 -14.195119 -0.422955 9.165151 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=26) 0 -15.910069 -1.672270 8.417503 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=26) 0 -16.858091 -1.988051 8.599817 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=26) 0 -15.404417 -1.903061 7.063070 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=26) 0 -14.320309 -1.975114 7.107811 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=26) 0 -15.954658 -3.217453 6.468609 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=26) 0 -17.022007 -3.114495 6.275369 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=26) 0 -15.256291 -3.528823 5.145220 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=26) 0 -14.182103 -3.619752 5.299596 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=26) 0 -15.641449 -4.467942 4.746623 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=26) 0 -15.456928 -2.737757 4.428163 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=26) 0 -15.747711 -4.431766 7.382520 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=26) 0 -16.171919 -5.319550 6.911569 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=26) 0 -14.685856 -4.594936 7.555747 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=26) 0 -16.256070 -4.278528 8.333635 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=26) 0 -15.807422 -0.706794 6.197300 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=26) 0 -16.986984 -0.359729 6.123661 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=27) 0 -14.849461 -0.044645 5.547096 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=27) 0 -13.895655 -0.377926 5.633709 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=27) 0 -15.117141 1.164529 4.764609 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=27) 0 -15.705252 1.829733 5.390269 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=27) 0 -13.834038 1.924749 4.370613 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=27) 0 -13.488248 1.536276 3.416781 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=27) 0 -14.128835 2.960888 4.203051 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=27) 0 -12.617085 1.913628 5.312378 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=27) 0 -12.163238 0.930640 5.290432 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=27) 0 -11.566472 2.872682 4.756478 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=27) 0 -11.963873 3.878296 4.669095 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=27) 0 -10.691550 2.880355 5.405853 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=27) 0 -11.271471 2.535198 3.764112 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=27) 0 -12.933606 2.249769 6.768315 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=27) 0 -13.367212 1.377606 7.254219 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=27) 0 -12.021087 2.523043 7.294584 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=27) 0 -13.645749 3.064075 6.832874 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=27) 0 -15.947639 0.810421 3.520903 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=27) 0 -15.501869 0.027059 2.687687 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=28) 0 -17.141993 1.372853 3.359284 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=28) 0 -17.401836 2.114763 3.998614 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=28) 0 -18.049704 1.034891 2.250515 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=28) 0 -17.804096 0.031385 1.900320 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=28) 0 -19.522720 0.991949 2.680366 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=28) 0 -19.910999 1.997635 2.830875 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=28) 0 -20.350834 0.268234 1.618442 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=28) 0 -21.406447 0.290984 1.889481 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=28) 0 -20.234424 0.745544 0.646055 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=28) 0 -20.019798 -0.764409 1.551679 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=28) 0 -19.677002 0.219049 3.985156 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=28) 0 -19.505331 0.900079 4.808864 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=28) 0 -20.682918 -0.176592 4.063823 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=28) 0 -18.954917 -0.593452 4.037890 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=28) 0 -17.792541 1.986860 1.095692 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=28) 0 -18.487992 2.990455 0.918478 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=29) 0 -16.716856 1.706052 0.363410 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=29) 0 -16.221671 0.845313 0.563785 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=29) 0 -16.148288 2.638696 -0.602684 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=29) 0 -16.285630 3.642448 -0.200005 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=29) 0 -14.633128 2.422288 -0.752729 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=29) 0 -14.454712 1.427987 -1.164240 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=29) 0 -14.248462 3.160037 -1.458878 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=29) 0 -13.863594 2.561712 0.575264 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=29) 0 -14.159201 1.750802 1.232865 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=29) 0 -12.360833 2.442627 0.332461 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=29) 0 -12.017003 3.265535 -0.291717 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=29) 0 -11.828509 2.468278 1.282318 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=29) 0 -12.140939 1.497107 -0.161919 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=29) 0 -14.136651 3.883010 1.297760 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=29) 0 -15.158719 3.902016 1.674359 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=29) 0 -13.470215 3.982230 2.151638 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=29) 0 -13.983727 4.718701 0.614200 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=29) 0 -16.909650 2.635541 -1.927482 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=29) 0 -17.499605 1.636036 -2.342681 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=30) 0 -16.919891 3.809168 -2.550942 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=30) 0 -16.326217 4.532870 -2.154225 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=30) 0 -17.767238 4.216831 -3.670351 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=30) 0 -18.396440 3.384603 -3.979550 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=30) 0 -18.639113 5.409337 -3.214294 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=30) 0 -18.099827 5.987757 -2.463433 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=30) 0 -18.787112 6.069213 -4.064845 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=30) 0 -20.041639 5.098841 -2.675053 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=30) 0 -20.462004 6.017983 -2.264576 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=30) 0 -20.679740 4.803695 -3.499805 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=30) 0 -20.108375 4.012848 -1.606301 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=30) 0 -19.585905 3.120903 -1.948988 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=30) 0 -19.629224 4.394888 -0.705905 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=30) 0 -21.508175 3.649502 -1.349341 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=30) 0 -22.148744 3.676557 -2.134826 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=30) 0 -22.059481 3.311869 -0.205519 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=30) 0 -21.393023 3.255005 0.903557 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=30) 0 -20.389908 3.373876 0.901796 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=30) 0 -21.935632 3.235455 1.764581 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=30) 0 -23.322364 3.026054 -0.163115 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=30) 0 -23.865842 3.091058 -1.011565 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=30) 0 -23.703108 2.624709 0.689401 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=30) 0 -16.915315 4.619304 -4.869844 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=30) 0 -15.780954 5.068480 -4.699752 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=31) 0 -17.496241 4.594833 -6.073862 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=31) 0 -18.444819 4.221958 -6.122857 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=31) 0 -16.883170 5.198830 -7.279560 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=31) 0 -15.898767 4.744454 -7.409366 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=31) 0 -17.690756 4.859761 -8.550511 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=31) 0 -17.223480 5.346428 -9.407051 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=31) 0 -17.638632 3.781352 -8.708130 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=31) 0 -19.168741 5.270699 -8.482124 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=31) 0 -19.623922 4.738886 -7.656813 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=31) 0 -19.248226 6.341163 -8.298499 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=31) 0 -19.983630 4.902201 -9.724151 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=31) 0 -19.708058 3.901964 -10.057326 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=31) 0 -21.037353 4.879474 -9.443145 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=31) 0 -19.801263 5.912824 -10.858951 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=31) 0 -20.087337 6.905336 -10.497984 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=31) 0 -18.748840 5.935655 -11.155677 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=31) 0 -20.645279 5.542281 -12.014006 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=31) 0 -21.628703 5.472901 -11.759911 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=31) 0 -20.565130 6.202601 -12.784360 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=31) 0 -20.370144 4.630625 -12.376076 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=31) 0 -16.581804 6.703519 -7.130118 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=31) 0 -15.800427 7.241264 -7.909243 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=32) 0 -17.095299 7.371972 -6.092122 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=32) 0 -17.777203 6.906844 -5.513366 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=32) 0 -16.608084 8.676489 -5.625221 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=32) 0 -16.453710 9.321161 -6.491397 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=32) 0 -17.650525 9.359356 -4.729213 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=32) 0 -17.204810 10.243727 -4.272668 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=32) 0 -18.503644 9.672104 -5.325216 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=32) 0 -18.099153 8.498006 -3.705821 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=32) 0 -18.438898 9.068097 -2.977430 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=32) 0 -15.275914 8.609579 -4.861404 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=32) 0 -14.319520 9.267901 -5.271660 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=33) 0 -15.224786 7.872980 -3.745066 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=33) 0 -16.010577 7.255396 -3.590286 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=33) 0 -14.469221 8.252155 -2.538827 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=33) 0 -14.074783 9.254741 -2.701068 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=33) 0 -15.457247 8.337807 -1.353387 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=33) 0 -14.977650 8.877223 -0.541594 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=33) 0 -16.331019 8.911482 -1.650085 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=33) 0 -15.918422 6.992644 -0.803028 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=33) 0 -15.582521 5.926591 -1.289082 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=33) 0 -16.722783 6.978360 0.231066 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=33) 0 -17.018827 6.083481 0.572668 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=33) 0 -17.046574 7.844920 0.650653 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=33) 0 -13.242172 7.383042 -2.197074 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=33) 0 -12.739469 7.452050 -1.069650 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=34) 0 -12.791955 6.534208 -3.122420 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=34) 0 -13.284395 6.493664 -4.003211 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=34) 0 -11.793551 5.504956 -2.831971 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=34) 0 -12.122877 4.959008 -1.947337 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=34) 0 -11.738660 4.516317 -3.992380 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=34) 0 -12.729409 4.079015 -4.112944 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=34) 0 -11.486884 5.040889 -4.915219 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=34) 0 -10.734536 3.411047 -3.750527 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=34) 0 -11.075168 2.342964 -2.904317 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=34) 0 -12.057858 2.299157 -2.463545 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=34) 0 -10.139632 1.334755 -2.629690 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=34) 0 -10.402946 0.528392 -1.964421 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=34) 0 -8.868376 1.378248 -3.226169 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=34) 0 -8.147359 0.600255 -3.030712 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=34) 0 -8.532889 2.432266 -4.090345 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=34) 0 -7.566504 2.441987 -4.572649 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=34) 0 -9.458562 3.459324 -4.341037 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=34) 0 -9.193742 4.271529 -5.003832 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=34) 0 -10.399487 6.057531 -2.509192 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=34) 0 -9.867068 5.780184 -1.433765 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=35) 0 -9.811559 6.872712 -3.389789 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=35) 0 -10.255071 7.050190 -4.281031 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=35) 0 -8.500499 7.466058 -3.120827 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=35) 0 -7.800079 6.661812 -2.890606 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=35) 0 -8.005215 8.168597 -4.380680 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=35) 0 -8.648940 9.017198 -4.604065 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=35) 0 -6.987123 8.521376 -4.215200 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=35) 0 -8.004952 7.475032 -5.220827 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=35) 0 -8.528286 8.411374 -1.903191 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=35) 0 -7.554171 8.485627 -1.164071 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=36) 0 -9.667309 9.045166 -1.614205 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=36) 0 -10.420093 8.992902 -2.290989 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=36) 0 -9.914521 9.812429 -0.387429 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=36) 0 -9.132880 10.563969 -0.271404 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=36) 0 -11.256345 10.532243 -0.575115 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=36) 0 -11.141270 11.273307 -1.366439 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=36) 0 -11.990465 9.803919 -0.909472 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=36) 0 -11.843468 11.238580 0.646334 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=36) 0 -11.796728 10.600588 1.525037 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=36) 0 -11.278183 12.145501 0.856232 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=36) 0 -13.305101 11.562660 0.353305 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=36) 0 -13.572083 12.437139 -0.503298 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=36) 0 -14.207244 10.922102 0.946112 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=36) 0 -9.915002 8.928809 0.876149 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=36) 0 -9.535591 9.395904 1.954164 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=37) 0 -10.308246 7.656156 0.778265 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=37) 0 -10.626083 7.311006 -0.121229 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=37) 0 -10.186836 6.697115 1.875182 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=37) 0 -10.501457 7.169927 2.802491 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=37) 0 -11.121693 5.516868 1.630181 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=37) 0 -12.133748 5.888625 1.477683 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=37) 0 -10.801901 4.956958 0.754100 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=37) 0 -11.106120 4.855932 2.495953 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=37) 0 -8.732953 6.261315 2.072535 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=37) 0 -8.254631 6.270775 3.206407 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=38) 0 -7.998064 5.994926 0.985484 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=38) 0 -8.460189 5.997757 0.080927 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=38) 0 -6.550328 5.768067 1.048929 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=38) 0 -6.356769 4.921351 1.708281 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=38) 0 -5.990017 5.445736 -0.351339 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=38) 0 -6.119967 6.319327 -0.988760 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=38) 0 -4.921334 5.273569 -0.229487 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=38) 0 -6.549880 4.238920 -1.118210 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=38) 0 -7.566987 4.449888 -1.442921 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=38) 0 -5.671747 4.016937 -2.350642 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=38) 0 -4.645229 3.797754 -2.054557 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=38) 0 -6.057243 3.180345 -2.929375 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=38) 0 -5.676406 4.913532 -2.968924 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=38) 0 -6.552207 2.965573 -0.282558 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=38) 0 -7.272474 3.073667 0.519112 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=38) 0 -6.855765 2.121761 -0.902205 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=38) 0 -5.561706 2.788430 0.136218 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=38) 0 -5.816356 6.987802 1.646381 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=38) 0 -4.930193 6.840502 2.487910 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=39) 0 -6.204469 8.201769 1.257954 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=39) 0 -6.881364 8.267134 0.504810 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=39) 0 -5.601440 9.446057 1.727624 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=39) 0 -4.519626 9.322633 1.697017 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=39) 0 -5.969391 10.558917 0.744135 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=39) 0 -7.044590 10.725966 0.747895 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=39) 0 -5.458722 11.482502 1.019780 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=39) 0 -5.658914 10.272356 -0.260391 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=39) 0 -5.969868 9.806225 3.179802 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=39) 0 -5.354245 10.702161 3.758961 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=40) 0 -6.932027 9.109218 3.792906 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=40) 0 -7.437934 8.424788 3.247568 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=40) 0 -7.258416 9.221196 5.216910 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=40) 0 -6.826227 10.137083 5.624409 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=40) 0 -8.776958 9.337454 5.349810 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=40) 0 -9.255471 8.433586 4.971456 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=40) 0 -9.034303 9.470348 6.401015 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=40) 0 -9.132221 10.202249 4.789001 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=40) 0 -6.704721 8.049609 6.051818 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=40) 0 -6.321219 8.251956 7.203140 L N-N--0.415700(PDBName=N,ResName=HID,ResNum=41) 0 -6.616772 6.846249 5.475542 L H-H-0.271900(PDBName=H,ResName=HID,ResNum=41) 0 -6.974143 6.743657 4.532005 L C-CT-0.018800(PDBName=CA,ResName=HID,ResNum=41) 0 -6.199223 5.612587 6.146500 L H-H1-0.088100(PDBName=HA,ResName=HID,ResNum=41) 0 -5.899155 5.836473 7.168542 L C-CT--0.046200(PDBName=CB,ResName=HID,ResNum=41) 0 -7.391597 4.651851 6.217593 L H-HC-0.040200(PDBName=HB2,ResName=HID,ResNum=41) 0 -7.688623 4.372700 5.207204 L H-HC-0.040200(PDBName=HB3,ResName=HID,ResNum=41) 0 -7.083594 3.746260 6.740731 L C-CC--0.026600(PDBName=CG,ResName=HID,ResNum=41) 0 -8.581186 5.247444 6.925193 L N-NA--0.381100(PDBName=ND1,ResName=HID,ResNum=41) 0 -8.672011 5.528490 8.268068 L H-H-0.364900(PDBName=HD1,ResName=HID,ResNum=41) 0 -7.941233 5.385909 8.965534 L C-CR-0.205700(PDBName=CE1,ResName=HID,ResNum=41) 0 -9.878340 6.063370 8.502380 L H-H5-0.139200(PDBName=HE1,ResName=HID,ResNum=41) 0 -10.234185 6.365281 9.479593 L N-NB--0.572700(PDBName=NE2,ResName=HID,ResNum=41) 0 -10.575415 6.171408 7.356536 L C-CV-0.129200(PDBName=CD2,ResName=HID,ResNum=41) 0 -9.754413 5.650164 6.348546 L H-H4-0.114700(PDBName=HD2,ResName=HID,ResNum=41) 0 -9.993597 5.585766 5.295936 L C-C-0.597300(PDBName=C,ResName=HID,ResNum=41) 0 -4.998433 4.993171 5.423143 L O-O--0.567900(PDBName=O,ResName=HID,ResNum=41) 0 -5.136877 4.361729 4.372861 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=42) 0 -3.797101 5.201923 5.975619 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=42) 0 -3.775005 5.671264 6.877932 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=42) 0 -2.516668 5.011938 5.263924 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=42) 0 -2.600629 5.490800 4.287653 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=42) 0 -1.382633 5.718974 6.029675 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=42) 0 -1.558950 5.659599 7.104888 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=42) 0 -0.438163 5.209162 5.827715 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=42) 0 -1.200869 7.186936 5.606455 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=42) 0 -0.393777 7.610030 6.206282 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=42) 0 -0.887020 7.204808 4.562176 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=42) 0 -2.444358 8.079011 5.750410 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=42) 0 -3.225138 7.748691 5.063633 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=42) 0 -2.811280 8.038062 6.776380 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=42) 0 -2.048019 9.514400 5.406744 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=42) 0 -1.259933 9.831437 6.095646 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=42) 0 -1.630527 9.536598 4.397501 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=42) 0 -3.187968 10.451357 5.498871 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=42) 0 -3.614764 10.424087 6.419825 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=42) 0 -2.878367 11.409335 5.376625 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=42) 0 -3.893750 10.292412 4.787207 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=42) 0 -2.162651 3.559743 4.922782 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=42) 0 -1.297780 3.358946 4.073753 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=43) 0 -2.865967 2.581509 5.497559 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=43) 0 -3.571612 2.849838 6.164880 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=43) 0 -2.823729 1.167366 5.109770 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=43) 0 -2.324144 1.068587 4.144267 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=43) 0 -2.050032 0.343156 6.151906 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=43) 0 -2.660449 0.262161 7.048578 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=43) 0 -1.905806 -0.658986 5.755578 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=43) 0 -0.710045 0.927510 6.544463 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=43) 0 0.235608 1.215932 5.546193 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=43) 0 0.044448 0.944975 4.517364 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=43) 0 1.366276 1.984141 5.860530 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=43) 0 2.041081 2.279847 5.076316 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=43) 0 1.582710 2.424492 7.182088 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=43) 0 2.620997 3.251882 7.453531 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=43) 0 2.990833 3.575898 6.608432 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=43) 0 0.691198 2.041411 8.203154 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=43) 0 0.860826 2.371123 9.219233 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=43) 0 -0.463214 1.305662 7.879693 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=43) 0 -1.183287 1.088843 8.657580 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=43) 0 -4.249518 0.631285 4.972077 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=43) 0 -5.050785 0.775965 5.900500 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=44) 0 -4.567605 0.004661 3.837486 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=44) 0 -3.874633 -0.069819 3.095254 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=44) 0 -5.925223 -0.452983 3.540915 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=44) 0 -6.438229 -0.618294 4.486015 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=44) 0 -6.669925 0.654614 2.757344 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=44) 0 -5.973368 1.458085 2.510817 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=44) 0 -7.054495 0.262197 1.814235 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=44) 0 -7.831230 1.238434 3.577128 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=44) 0 -7.489322 1.422457 4.594071 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=44) 0 -8.313132 2.566671 2.999102 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=44) 0 -7.467300 3.246463 2.899726 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=44) 0 -8.784986 2.410606 2.029769 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=44) 0 -9.024819 3.025572 3.678138 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=44) 0 -9.018347 0.272609 3.599711 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=44) 0 -8.710741 -0.702897 3.966071 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=44) 0 -9.798798 0.657807 4.251662 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=44) 0 -9.408709 0.147326 2.590728 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=44) 0 -5.938088 -1.790861 2.798765 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=44) 0 -5.285675 -1.934956 1.767540 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=45) 0 -6.721810 -2.750443 3.296271 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=45) 0 -7.210285 -2.564073 4.166357 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=45) 0 -7.084680 -3.963513 2.557377 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=45) 0 -6.423996 -4.053144 1.697993 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=45) 0 -6.898117 -5.206632 3.447896 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=45) 0 -6.119979 -5.021228 4.186509 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=45) 0 -7.829403 -5.375247 3.981088 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=45) 0 -6.543880 -6.484321 2.665809 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=45) 0 -7.179263 -6.563282 1.785903 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=45) 0 -5.084586 -6.474894 2.222354 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=45) 0 -4.419863 -6.454621 3.083484 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=45) 0 -4.879039 -7.367959 1.640643 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=45) 0 -4.902979 -5.608355 1.599515 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=45) 0 -6.736539 -7.724468 3.533855 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=45) 0 -6.584780 -8.618126 2.930277 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=45) 0 -6.024487 -7.719183 4.357882 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=45) 0 -7.753946 -7.747601 3.922974 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=45) 0 -8.518471 -3.829465 2.025365 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=45) 0 -9.412424 -3.392916 2.745844 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=46) 0 -8.768406 -4.217639 0.778713 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=46) 0 -7.998578 -4.611141 0.247594 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=46) 0 -9.995910 -3.901971 0.035118 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=46) 0 -10.722454 -3.460276 0.713458 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=46) 0 -9.721498 -2.860882 -1.068931 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=46) 0 -9.131503 -3.321034 -1.862099 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=46) 0 -11.042824 -2.352042 -1.659648 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=46) 0 -11.634715 -1.849940 -0.895215 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=46) 0 -10.840887 -1.662957 -2.477786 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=46) 0 -11.623037 -3.183723 -2.062218 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=46) 0 -8.936970 -1.644497 -0.550156 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=46) 0 -7.963005 -1.951556 -0.171012 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=46) 0 -8.763024 -0.948693 -1.366778 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=46) 0 -9.486633 -1.145232 0.245176 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=46) 0 -10.607199 -5.169885 -0.558139 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=46) 0 -10.001598 -5.810084 -1.412626 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=47) 0 -11.803023 -5.505450 -0.085240 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=47) 0 -12.212288 -4.885524 0.604321 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=47) 0 -12.718096 -6.536252 -0.575018 L H-HC 1 0.0000 H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=47) 0 -12.150640 -7.397516 -0.929366 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=47) 0 -13.560780 -5.988446 -1.735178 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=47) 0 -14.099980 -4.885796 -1.658285 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=48) 0 -13.722342 -6.778059 -2.792927 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=48) 0 -13.202380 -7.649062 -2.807178 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=48) 0 -14.577732 -6.491432 -3.945663 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=48) 0 -15.209774 -5.631901 -3.733490 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=48) 0 -13.718350 -6.179584 -5.179812 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=48) 0 -13.191120 -7.085131 -5.457674 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=48) 0 -14.387519 -5.938499 -6.006481 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=48) 0 -12.681996 -5.074991 -5.049525 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=48) 0 -12.950121 -3.796631 -5.565016 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=48) 0 -13.921484 -3.592046 -5.981009 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=48) 0 -11.964728 -2.793065 -5.547267 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=48) 0 -12.178574 -1.816085 -5.957195 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=48) 0 -10.699680 -3.065374 -4.999741 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=48) 0 -9.939582 -2.296356 -4.981027 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=48) 0 -10.434009 -4.335620 -4.459276 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=48) 0 -9.477491 -4.546544 -4.009964 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=48) 0 -11.419486 -5.336901 -4.485674 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=48) 0 -11.204242 -6.306715 -4.063538 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=48) 0 -15.467514 -7.715351 -4.192471 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=48) 0 -14.951044 -8.795514 -4.496869 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=49) 0 -16.784685 -7.580582 -4.013186 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=49) 0 -17.163595 -6.653145 -3.843838 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=49) 0 -17.646665 -8.729303 -3.703126 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=49) 0 -17.128449 -9.641903 -3.998078 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=49) 0 -17.845098 -8.806029 -2.181573 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=49) 0 -18.249081 -9.786708 -1.950437 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=49) 0 -16.872883 -8.743987 -1.691797 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=49) 0 -18.772672 -7.770933 -1.569648 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=49) 0 -20.083901 -8.137239 -1.204175 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=49) 0 -20.432725 -9.143479 -1.384601 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=49) 0 -20.934317 -7.197607 -0.591548 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=49) 0 -21.940631 -7.465687 -0.319724 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=49) 0 -20.478054 -5.884381 -0.355551 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=49) 0 -21.280089 -4.990773 0.277737 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=49) 0 -20.934383 -4.085072 0.166930 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=49) 0 -19.181095 -5.505956 -0.756321 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=49) 0 -18.842665 -4.495719 -0.591849 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=49) 0 -18.323727 -6.455462 -1.343295 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=49) 0 -17.316465 -6.175036 -1.616337 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=49) 0 -18.995489 -8.744626 -4.433837 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=49) 0 -19.537469 -7.699659 -4.794571 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=50) 0 -19.549353 -9.950335 -4.608446 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=50) 0 -19.049249 -10.757165 -4.252914 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=50) 0 -20.888203 -10.190652 -5.146963 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=50) 0 -21.287807 -9.247200 -5.518874 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=50) 0 -20.784542 -11.146102 -6.340912 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=50) 0 -20.173726 -10.697289 -7.124794 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=50) 0 -20.327627 -12.086276 -6.030979 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=50) 0 -21.776824 -11.346629 -6.747510 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=50) 0 -21.815074 -10.737698 -4.037592 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=50) 0 -21.486367 -11.754798 -3.407813 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=51) 0 -22.986127 -10.115903 -3.789305 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=51) 0 -23.667557 -9.187502 -4.682998 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=51) 0 -23.585328 -9.494247 -5.727024 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=51) 0 -23.264515 -8.181283 -4.550389 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=51) 0 -25.126986 -9.225202 -4.243227 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=51) 0 -25.618774 -10.104545 -4.660408 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=51) 0 -25.667232 -8.324302 -4.525468 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=51) 0 -24.985941 -9.372284 -2.728021 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=51) 0 -25.894410 -9.777564 -2.281756 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=51) 0 -24.752074 -8.400016 -2.290339 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=51) 0 -23.781196 -10.312424 -2.566285 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=51) 0 -23.202833 -10.006645 -1.694028 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=51) 0 -24.240659 -11.761778 -2.355969 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=51) 0 -24.357416 -12.245594 -1.228234 L N-N--0.415700(PDBName=N,ResName=TRP,ResNum=52) 0 -24.472538 -12.495193 -3.442468 L H-H-0.271900(PDBName=H,ResName=TRP,ResNum=52) 0 -24.414692 -12.040413 -4.345481 L C-CT--0.005000(PDBName=CB,ResName=TRP,ResNum=52) 0 -25.984093 -14.018868 -4.564176 L H-HC-0.033900(PDBName=HB2,ResName=TRP,ResNum=52) 0 -26.284951 -15.064281 -4.649178 L H-HC-0.033900(PDBName=HB3,ResName=TRP,ResNum=52) 0 -26.879656 -13.445594 -4.317700 L C-C*--0.141500(PDBName=CG,ResName=TRP,ResNum=52) 0 -25.478411 -13.550893 -5.891879 L C-CW--0.163800(PDBName=CD1,ResName=TRP,ResNum=52) 0 -25.884462 -12.449336 -6.565304 L H-H4-0.206200(PDBName=HD1,ResName=TRP,ResNum=52) 0 -26.684328 -11.781125 -6.262983 L N-NA--0.341800(PDBName=NE1,ResName=TRP,ResNum=52) 0 -25.133942 -12.308730 -7.716364 L H-H-0.341200(PDBName=HE1,ResName=TRP,ResNum=52) 0 -25.304779 -11.586194 -8.414326 L C-CN-0.138000(PDBName=CE2,ResName=TRP,ResNum=52) 0 -24.224382 -13.332893 -7.856356 L C-CA--0.260100(PDBName=CZ2,ResName=TRP,ResNum=52) 0 -23.287551 -13.662998 -8.842146 L H-HA-0.157200(PDBName=HZ2,ResName=TRP,ResNum=52) 0 -23.188732 -13.063440 -9.737211 L C-CA--0.113400(PDBName=CH2,ResName=TRP,ResNum=52) 0 -22.540337 -14.840490 -8.696386 L H-HA-0.141700(PDBName=HH2,ResName=TRP,ResNum=52) 0 -21.862419 -15.146889 -9.477543 L C-CA--0.197200(PDBName=CZ3,ResName=TRP,ResNum=52) 0 -22.677131 -15.627672 -7.543859 L H-HA-0.144700(PDBName=HZ3,ResName=TRP,ResNum=52) 0 -22.049538 -16.493160 -7.400495 L C-CA--0.238700(PDBName=CE3,ResName=TRP,ResNum=52) 0 -23.660054 -15.322334 -6.595936 L H-HA-0.170000(PDBName=HE3,ResName=TRP,ResNum=52) 0 -23.847290 -16.017552 -5.799433 L C-CB-0.124300(PDBName=CD2,ResName=TRP,ResNum=52) 0 -24.441491 -14.156329 -6.714027 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=57) 0 -20.236405 -14.723235 2.179376 L H-H 153 0.0000 H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=57) 0 -20.474177 -13.735942 2.579360 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=57) 0 -21.540083 -15.496290 1.973336 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=57) 0 -21.294680 -16.454800 1.515610 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=57) 0 -21.981559 -15.699255 2.949124 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=57) 0 -22.600586 -14.772762 1.124140 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=57) 0 -23.022037 -13.935978 1.682893 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=57) 0 -22.179083 -14.407308 0.189380 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=57) 0 -23.680498 -15.812774 0.830529 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=57) 0 -23.212939 -16.648545 0.309501 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=57) 0 -24.079169 -16.163251 1.783364 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=57) 0 -24.850796 -15.334442 -0.018250 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=57) 0 -25.490801 -14.684777 0.587406 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=57) 0 -24.478181 -14.749620 -0.860579 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=57) 0 -25.621241 -16.506387 -0.502590 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=57) 0 -25.148965 -16.983521 -1.269674 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=57) 0 -25.721586 -17.203356 0.232098 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=57) 0 -26.541788 -16.218721 -0.827545 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=57) 0 -19.360565 -15.430954 3.236773 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=57) 0 -19.699733 -15.394130 4.427022 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=58) 0 -18.242231 -16.050252 2.831515 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=58) 0 -18.074831 -16.146287 1.837274 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=58) 0 -17.201424 -16.531608 3.739724 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=58) 0 -17.670239 -16.980640 4.614758 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=58) 0 -16.398377 -17.636503 3.041524 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=58) 0 -17.068585 -18.424616 2.696293 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=58) 0 -15.848832 -17.233770 2.192138 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=58) 0 -15.685235 -18.067884 3.746045 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=58) 0 -16.302268 -15.379503 4.230647 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=58) 0 -16.011823 -15.309506 5.424024 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=59) 0 -15.927879 -14.456182 3.332498 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=59) 0 -16.216966 -14.581023 2.371276 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=59) 0 -15.049417 -13.317318 3.626185 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=59) 0 -14.205318 -13.682081 4.214661 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=59) 0 -14.521883 -12.745303 2.295729 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=59) 0 -15.368965 -12.354555 1.733476 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=59) 0 -14.085839 -13.546484 1.704129 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=59) 0 -13.484549 -11.612893 2.452245 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=59) 0 -13.892809 -10.813188 3.068475 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=59) 0 -12.175162 -12.109903 3.068281 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=59) 0 -11.772394 -12.929996 2.480973 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=59) 0 -12.340402 -12.434758 4.096153 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=59) 0 -11.444433 -11.302857 3.079135 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=59) 0 -13.150729 -11.037855 1.080627 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=59) 0 -12.666282 -11.789658 0.462302 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=59) 0 -14.069685 -10.705444 0.599359 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=59) 0 -12.495589 -10.174638 1.199122 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=59) 0 -15.727889 -12.209095 4.445351 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=59) 0 -15.156700 -11.754087 5.428654 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=60) 0 -16.927670 -11.761624 4.065984 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=60) 0 -17.330067 -12.152543 3.224869 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=60) 0 -17.478276 -10.491692 4.557762 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=60) 0 -16.780193 -9.711232 4.247326 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=60) 0 -18.798531 -10.199787 3.829571 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=60) 0 -19.179531 -9.229293 4.150234 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=60) 0 -18.616260 -10.155086 2.754492 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=60) 0 -19.544619 -10.963327 4.036592 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=60) 0 -17.592408 -10.370171 6.102869 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=60) 0 -17.195106 -9.325579 6.632079 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=61) 0 -18.031672 -11.404942 6.860718 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=61) 0 -18.668189 -12.633789 6.409653 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=61) 0 -17.917798 -13.421734 6.324954 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=61) 0 -19.192553 -12.514858 5.464714 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=61) 0 -19.662792 -12.981053 7.510748 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=61) 0 -19.911570 -14.042408 7.513973 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=61) 0 -20.560458 -12.369730 7.403554 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=61) 0 -18.903722 -12.569488 8.770114 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=61) 0 -18.251365 -13.390073 9.075957 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=61) 0 -19.585456 -12.308923 9.580823 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=61) 0 -18.066347 -11.358989 8.331251 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=61) 0 -18.574100 -10.445234 8.643253 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=61) 0 -16.674309 -11.407807 8.984351 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=61) 0 -16.495027 -10.945650 10.114020 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=62) 0 -15.682140 -11.949065 8.274391 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=62) 0 -15.878817 -12.263462 7.332109 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=62) 0 -14.279354 -11.997835 8.695808 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=62) 0 -14.240419 -12.121369 9.773550 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=62) 0 -13.578244 -13.198972 8.047555 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=62) 0 -13.753640 -13.201121 6.973175 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=62) 0 -12.504624 -13.108401 8.209923 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=62) 0 -14.067591 -14.528779 8.638782 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=62) 0 -15.145442 -14.618397 8.487144 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=62) 0 -13.589242 -15.348659 8.099730 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=62) 0 -13.743956 -14.653955 10.132674 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=62) 0 -14.374417 -15.479132 10.833173 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=62) 0 -12.837475 -13.954731 10.632102 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=62) 0 -13.544472 -10.693037 8.387518 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=62) 0 -12.758782 -10.222676 9.205971 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=63) 0 -13.900147 -10.026926 7.288369 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=63) 0 -14.502070 -10.500487 6.622790 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=63) 0 -13.562446 -8.626850 7.039987 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=63) 0 -12.476385 -8.528695 7.059333 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=63) 0 -14.077623 -8.218086 5.648215 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=63) 0 -14.620325 -9.039844 5.179414 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=63) 0 -14.778496 -7.387792 5.745101 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=63) 0 -12.952366 -7.816344 4.725368 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=63) 0 -11.956423 -8.753818 4.394975 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=63) 0 -12.037799 -9.765657 4.763688 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=63) 0 -10.862803 -8.372083 3.596766 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=63) 0 -10.091586 -9.080167 3.334822 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=63) 0 -10.779576 -7.046339 3.130472 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=63) 0 -9.745596 -6.655847 2.355895 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=63) 0 -9.879103 -5.756582 2.049703 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=63) 0 -11.774940 -6.109991 3.459544 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=63) 0 -11.698212 -5.101340 3.099012 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=63) 0 -12.871829 -6.499688 4.243794 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=63) 0 -13.658778 -5.795128 4.464700 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=63) 0 -14.110268 -7.717291 8.148126 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=63) 0 -13.393968 -6.849174 8.647872 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=64) 0 -15.335094 -7.977293 8.617576 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=64) 0 -15.906397 -8.650575 8.119728 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=64) 0 -15.896796 -7.312199 9.789064 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=64) 0 -15.789282 -6.235359 9.649926 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=64) 0 -17.397933 -7.612458 9.848076 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=64) 0 -17.578501 -8.683032 9.879383 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=64) 0 -17.830226 -7.162119 10.739143 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=64) 0 -17.889209 -7.198821 8.966582 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=64) 0 -15.144232 -7.662019 11.093601 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=64) 0 -14.829510 -6.743875 11.857352 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=65) 0 -14.768525 -8.930907 11.342619 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=65) 0 -15.078511 -9.657744 10.704861 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=65) 0 -13.924512 -9.305326 12.502744 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=65) 0 -14.406208 -8.960075 13.419218 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=65) 0 -13.703762 -10.828891 12.604016 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=65) 0 -13.690643 -11.259249 11.606512 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=65) 0 -12.725697 -10.988107 13.056883 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=65) 0 -14.693346 -11.601419 13.486391 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=65) 0 -14.550489 -11.299796 14.524977 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=65) 0 -15.709642 -11.351796 13.189580 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=65) 0 -14.526069 -13.129985 13.373476 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=65) 0 -15.175520 -13.605646 14.108686 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=65) 0 -14.882086 -13.420617 12.385085 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=65) 0 -13.088128 -13.659134 13.555929 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=65) 0 -12.436859 -13.125575 12.858612 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=65) 0 -12.746511 -13.470128 14.576477 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=65) 0 -13.006228 -15.105937 13.235537 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=65) 0 -13.396355 -15.253406 12.299816 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=65) 0 -12.054204 -15.450518 13.188814 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=65) 0 -13.530273 -15.665319 13.899516 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=65) 0 -12.562256 -8.610078 12.446009 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=65) 0 -12.104718 -8.125578 13.476436 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=66) 0 -11.938274 -8.520711 11.270220 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=66) 0 -12.353196 -9.001972 10.478712 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=66) 0 -10.660075 -7.844835 11.055647 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=66) 0 -9.934644 -8.226745 11.774454 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=66) 0 -10.151535 -8.181196 9.649905 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=66) 0 -9.192072 -7.691452 9.481916 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=66) 0 -10.019782 -9.256419 9.549233 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=66) 0 -10.864747 -7.844897 8.897634 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=66) 0 -10.767585 -6.326637 11.263264 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=66) 0 -9.904947 -5.740343 11.914489 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=67) 0 -11.839394 -5.692056 10.777092 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=67) 0 -12.483044 -6.207785 10.183872 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=67) 0 -12.095724 -4.269695 10.995108 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=67) 0 -11.218496 -3.704670 10.692662 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=67) 0 -13.277423 -3.836916 10.125592 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=67) 0 -13.441500 -2.768101 10.249196 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=67) 0 -13.057800 -4.041716 9.080915 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=67) 0 -14.182071 -4.374388 10.411999 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=67) 0 -12.333066 -3.940095 12.471678 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=67) 0 -11.750646 -2.979368 12.980910 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=68) 0 -13.124024 -4.766890 13.163154 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=68) 0 -13.565426 -5.529672 12.660674 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=68) 0 -13.360089 -4.662928 14.602328 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=68) 0 -13.758496 -3.675470 14.836435 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=68) 0 -14.091250 -5.415445 14.898541 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=68) 0 -12.079735 -4.885875 15.408022 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=68) 0 -11.769036 -4.068937 16.273567 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=69) 0 -11.302871 -5.922624 15.055233 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=69) 0 -11.660028 -6.549508 14.341400 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=69) 0 -9.985873 -6.245618 15.624245 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=69) 0 -10.096587 -6.414974 16.697271 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=69) 0 -9.426323 -7.531999 14.988636 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=69) 0 -10.007616 -8.374914 15.354329 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=69) 0 -9.542308 -7.483197 13.907301 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=69) 0 -7.937281 -7.776496 15.287783 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=69) 0 -7.337278 -7.078966 14.702057 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=69) 0 -7.740471 -7.594298 16.345395 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=69) 0 -7.513948 -9.202376 14.909635 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=69) 0 -8.180699 -9.601673 14.143467 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=69) 0 -6.504960 -9.183699 14.496341 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=69) 0 -7.536176 -10.116974 16.134982 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=69) 0 -8.403564 -9.874196 16.754923 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=69) 0 -7.632693 -11.151123 15.793477 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=69) 0 -6.282438 -9.984202 16.911127 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=69) 0 -5.514961 -10.333666 16.344195 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=69) 0 -6.046597 -9.009286 17.112987 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=69) 0 -6.308589 -10.532979 17.764842 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=69) 0 -9.012728 -5.090611 15.482710 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=69) 0 -8.588570 -4.554898 16.493726 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=70) 0 -8.678991 -4.667082 14.263805 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=70) 0 -9.084753 -5.129106 13.457347 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=70) 0 -7.667941 -3.627109 14.058508 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=70) 0 -6.761566 -3.934047 14.577577 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=70) 0 -7.356877 -3.496107 12.555555 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=70) 0 -8.289704 -3.529058 11.990383 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=70) 0 -6.896554 -2.527227 12.366330 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=70) 0 -6.398139 -4.590612 12.044388 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=70) 0 -6.763836 -5.570710 12.349301 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=70) 0 -6.322828 -4.551024 10.518808 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=70) 0 -6.203836 -3.525566 10.175202 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=70) 0 -5.492528 -5.155496 10.157350 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=70) 0 -7.241611 -4.961185 10.115568 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=70) 0 -4.974289 -4.406771 12.572526 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=70) 0 -4.616870 -3.411192 12.322454 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=70) 0 -4.949218 -4.532022 13.652852 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=70) 0 -4.313276 -5.153151 12.136052 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=70) 0 -8.083221 -2.300366 14.710283 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=70) 0 -7.241186 -1.616155 15.290624 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=71) 0 -9.383267 -1.981431 14.733632 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=71) 0 -10.037480 -2.587064 14.251655 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=71) 0 -9.896939 -0.792299 15.423225 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=71) 0 -9.256670 0.047948 15.149303 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=71) 0 -11.302496 -0.500202 14.886254 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=71) 0 -11.229342 -0.432937 13.799888 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=71) 0 -11.967647 -1.329601 15.132878 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=71) 0 -11.919268 0.806509 15.401167 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=71) 0 -12.276823 0.657205 16.418472 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=71) 0 -11.171445 1.597258 15.396374 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=71) 0 -13.083733 1.206127 14.483921 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=71) 0 -12.690077 1.655508 13.570352 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=71) 0 -13.624503 0.302137 14.207020 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=71) 0 -14.097586 2.152536 15.129414 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=71) 0 -14.900431 2.335060 14.412075 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=71) 0 -14.545747 1.653996 15.993982 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=71) 0 -13.526619 3.450488 15.553049 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=71) 0 -13.054629 3.946025 14.803027 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=71) 0 -14.294107 4.030466 15.891881 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=71) 0 -12.906849 3.319676 16.347517 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=71) 0 -9.807138 -0.918855 16.949844 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=71) 0 -9.458512 0.069336 17.595644 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=72) 0 -10.013336 -2.106864 17.521773 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=72) 0 -10.314452 -2.876232 16.934568 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=72) 0 -9.821784 -2.389751 18.948689 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=72) 0 -10.266590 -1.579472 19.526978 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=72) 0 -10.582735 -3.675171 19.289374 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=72) 0 -10.153185 -4.522610 18.753007 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=72) 0 -10.522459 -3.864835 20.360117 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=72) 0 -11.632398 -3.571431 19.014498 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=72) 0 -8.332277 -2.473053 19.349084 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=72) 0 -7.944832 -1.960184 20.400269 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=73) 0 -7.466772 -2.993841 18.476679 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=73) 0 -7.858446 -3.465160 17.666726 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=73) 0 -5.996862 -2.955327 18.571185 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=73) 0 -5.702130 -3.319620 19.553095 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=73) 0 -5.373712 -3.900347 17.520029 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=73) 0 -5.757440 -3.634180 16.536487 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=73) 0 -4.294565 -3.744934 17.510876 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=73) 0 -5.629348 -5.398717 17.789191 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=73) 0 -5.238875 -5.642058 18.776995 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=73) 0 -6.700505 -5.594124 17.810510 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=73) 0 -4.971068 -6.334122 16.757215 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=73) 0 -4.376912 -5.851299 15.766766 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=73) 0 -5.019865 -7.576206 16.946118 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=73) 0 -5.422431 -1.523723 18.435383 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=73) 0 -4.207083 -1.324467 18.526905 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=74) 0 -6.278963 -0.513622 18.232744 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=74) 0 -7.258930 -0.745312 18.155765 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=74) 0 -5.904689 0.897927 18.113005 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=74) 0 -6.798523 1.509167 18.233818 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=74) 0 -5.203517 1.150979 18.908627 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=74) 0 -5.257437 1.256581 16.772383 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=74) 0 -4.716232 2.353489 16.630380 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=75) 0 -5.303973 0.356674 15.791405 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=75) 0 -5.858492 -0.480179 15.940096 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=75) 0 -4.552906 0.437768 14.541669 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=75) 0 -3.522330 0.698046 14.783089 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=75) 0 -4.543655 -0.925808 13.855407 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=75) 0 -4.275714 -1.707202 14.568067 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=75) 0 -5.533974 -1.133520 13.453771 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=75) 0 -3.612271 -0.906596 12.799243 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=75) 0 -2.787233 -1.324180 13.132662 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=75) 0 -5.094981 1.473267 13.560592 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=75) 0 -6.306445 1.617310 13.364450 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=76) 0 -4.173149 2.142056 12.877362 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=76) 0 -3.199850 1.979601 13.130153 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=76) 0 -4.411992 2.986853 11.709159 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=76) 0 -5.277718 3.615343 11.921739 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=76) 0 -3.199902 3.920817 11.512821 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=76) 0 -3.502408 4.709523 10.825662 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=76) 0 -2.967194 4.405639 12.462215 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=76) 0 -1.914264 3.284706 10.942368 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=76) 0 -2.138178 2.884989 9.951487 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=76) 0 -1.179736 4.080910 10.805237 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=76) 0 -1.280293 2.184165 11.812028 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=76) 0 -1.399854 2.239543 13.060708 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=76) 0 -0.685848 1.249796 11.233713 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=76) 0 -4.742087 2.190858 10.429139 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=76) 0 -5.267688 2.772125 9.476893 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=77) 0 -4.469739 0.879244 10.404415 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=77) 0 -4.063504 0.462219 11.237343 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=77) 0 -4.793342 -0.026822 9.291514 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=77) 0 -4.457816 0.431023 8.363142 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=77) 0 -4.103502 -1.402447 9.466645 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=77) 0 -4.586818 -1.897312 10.309198 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=77) 0 -4.320738 -2.264889 8.207320 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=77) 0 -5.380857 -2.467067 8.053452 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=77) 0 -3.926156 -1.759702 7.326590 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=77) 0 -3.817328 -3.220982 8.321811 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=77) 0 -2.593105 -1.337804 9.785641 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=77) 0 -2.028412 -1.116302 8.883036 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=77) 0 -2.393317 -0.545099 10.500657 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=77) 0 -2.077543 -2.641321 10.413339 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=77) 0 -2.056295 -3.445004 9.679663 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=77) 0 -1.074694 -2.482696 10.802283 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=77) 0 -2.708258 -2.938425 11.246767 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=77) 0 -6.309951 -0.238475 9.226350 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=77) 0 -6.923196 -0.546024 10.251688 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=78) 0 -6.917596 -0.133297 8.036743 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=78) 0 -6.341083 0.106143 7.233011 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=78) 0 -8.361386 -0.362187 7.819184 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=78) 0 -8.799477 -0.741083 8.744000 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=78) 0 -9.068683 0.963581 7.463058 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=78) 0 -8.662945 1.339193 6.525353 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=78) 0 -10.130648 0.771090 7.305537 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=78) 0 -8.940494 2.078545 8.514688 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=78) 0 -7.896301 2.382044 8.586810 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=78) 0 -9.518722 2.935074 8.173048 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=78) 0 -9.427190 1.689863 9.915070 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=78) 0 -8.905464 0.795825 10.230946 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=78) 0 -9.154612 2.471705 10.620140 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=78) 0 -10.876540 1.429784 9.968724 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=78) 0 -11.149276 0.455777 10.050317 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=78) 0 -11.827626 2.330172 10.110250 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=78) 0 -11.558876 3.584868 10.300016 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=78) 0 -10.602831 3.873336 10.494987 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=78) 0 -12.305824 4.221294 10.514637 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=78) 0 -13.080359 1.986826 10.068711 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=78) 0 -13.330290 1.041738 9.796191 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=78) 0 -13.805446 2.703016 10.068024 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=78) 0 -8.652668 -1.452531 6.784621 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=78) 0 -7.777708 -1.893792 6.040480 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=79) 0 -9.917752 -1.864969 6.749852 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=79) 0 -10.564309 -1.426495 7.386724 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=79) 0 -10.499653 -2.818931 5.805864 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=79) 0 -9.752113 -3.134442 5.081948 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=79) 0 -11.046758 -4.055819 6.546703 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=79) 0 -11.828120 -3.725905 7.229533 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=79) 0 -11.534447 -4.689847 5.809866 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=79) 0 -10.075939 -4.952375 7.334172 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=79) 0 -10.657223 -5.794679 7.706892 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=79) 0 -8.949118 -5.502055 6.468840 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=79) 0 -9.370470 -6.090616 5.653403 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=79) 0 -8.352454 -4.682826 6.070751 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=79) 0 -8.304366 -6.135696 7.073653 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=79) 0 -9.444128 -4.263486 8.541794 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=79) 0 -8.507423 -3.778045 8.270782 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=79) 0 -10.122681 -3.517687 8.943950 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=79) 0 -9.247965 -5.013321 9.302604 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=79) 0 -11.652253 -2.120960 5.077333 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=79) 0 -12.421758 -1.422913 5.730992 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=80) 0 -11.807900 -2.313865 3.770196 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=80) 0 -11.116288 -2.881252 3.291516 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=80) 0 -12.857958 -1.703366 2.948512 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=80) 0 -13.593193 -1.230458 3.592894 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=80) 0 -12.215920 -0.628270 2.072065 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=80) 0 -11.789158 0.154157 2.696209 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=80) 0 -11.431901 -1.073180 1.461673 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=80) 0 -12.972345 -0.200680 1.417196 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=80) 0 -13.599128 -2.730132 2.080632 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=80) 0 -12.983699 -3.696537 1.653375 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=81) 0 -14.879628 -2.497848 1.768872 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=81) 0 -15.290275 -1.636699 2.112498 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=81) 0 -15.723845 -3.353675 0.922088 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=81) 0 -15.084254 -4.124420 0.487986 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=81) 0 -16.767026 -4.107480 1.771195 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=81) 0 -17.241313 -4.862711 1.145389 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=81) 0 -16.240591 -4.636185 2.562940 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=81) 0 -17.856227 -3.228093 2.410065 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=81) 0 -17.391758 -2.499896 3.075602 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=81) 0 -18.390418 -2.691260 1.627342 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=81) 0 -16.334725 -2.583260 -0.252967 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=81) 0 -16.871161 -1.480624 -0.092290 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=82) 0 -16.266268 -3.181276 -1.438179 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=82) 0 -15.719193 -4.036775 -1.480939 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=82) 0 -16.692234 -2.611298 -2.721933 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=82) 0 -17.117150 -1.626933 -2.561543 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=82) 0 -15.496437 -2.410073 -3.665248 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=82) 0 -15.034422 -3.371901 -3.872110 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=82) 0 -15.964367 -1.792300 -4.990402 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=82) 0 -16.518001 -0.874174 -4.799315 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=82) 0 -15.104727 -1.583168 -5.622299 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=82) 0 -16.612100 -2.489298 -5.521683 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=82) 0 -14.446431 -1.490918 -3.026604 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=82) 0 -14.913010 -0.567203 -2.688035 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=82) 0 -13.989929 -1.994804 -2.174700 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=82) 0 -13.657607 -1.267375 -3.743525 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=82) 0 -17.754169 -3.496853 -3.363446 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=82) 0 -17.474014 -4.626759 -3.765769 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=83) 0 -18.970857 -2.968651 -3.477364 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=83) 0 -19.137498 -2.039642 -3.109530 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=83) 0 -20.101545 -3.692118 -4.056787 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=83) 0 -20.116691 -4.699371 -3.632788 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=83) 0 -21.407107 -2.997903 -3.647276 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=83) 0 -21.372795 -2.753576 -2.589624 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=83) 0 -21.529151 -2.067050 -4.203659 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=83) 0 -22.602431 -3.907010 -3.894456 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=83) 0 -22.756141 -4.355157 -5.048758 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=83) 0 -23.374476 -4.169891 -2.943045 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=83) 0 -19.964648 -3.815661 -5.586628 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=83) 0 -20.056035 -2.825909 -6.324882 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=84) 0 -19.748976 -5.036280 -6.082030 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=84) 0 -19.693131 -5.827707 -5.446510 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=84) 0 -19.523477 -5.282426 -7.503157 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=84) 0 -18.879782 -4.484282 -7.874834 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=84) 0 -18.749287 -6.594298 -7.669442 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=84) 0 -18.415355 -6.684503 -8.702808 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=84) 0 -17.876126 -6.599492 -7.015367 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=84) 0 -19.392159 -7.441009 -7.425116 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=84) 0 -20.804711 -5.240131 -8.361421 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=84) 0 -20.698471 -5.351819 -9.586342 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=85) 0 -21.994621 -5.064719 -7.774043 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=85) 0 -22.043028 -5.000651 -6.757182 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=85) 0 -23.266720 -4.922551 -8.508815 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=85) 0 -23.089118 -5.061346 -9.574909 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=85) 0 -24.288419 -6.001843 -8.104341 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=85) 0 -25.164735 -5.906329 -8.744769 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=85) 0 -23.744132 -7.425229 -8.230667 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=85) 0 -22.899338 -7.575792 -7.559447 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=85) 0 -24.531014 -8.134694 -7.974490 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=85) 0 -23.435462 -7.606465 -9.258539 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=85) 0 -24.700461 -5.848106 -6.771422 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=85) 0 -25.419079 -5.179013 -6.790122 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=85) 0 -23.868129 -3.521124 -8.364047 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=85) 0 -24.470461 -3.019482 -9.313999 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=86) 0 -23.687023 -2.839399 -7.226498 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=86) 0 -23.268489 -3.344819 -6.443811 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=86) 0 -24.256539 -1.501933 -6.976827 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=86) 0 -25.054497 -1.322434 -7.696669 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=86) 0 -24.900810 -1.407566 -5.582268 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=86) 0 -24.118028 -1.399650 -4.822476 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=86) 0 -25.426645 -0.453549 -5.523863 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=86) 0 -25.901047 -2.523087 -5.240718 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=86) 0 -25.341232 -3.380102 -4.873392 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=86) 0 -26.549114 -2.177759 -4.432641 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=86) 0 -26.755996 -2.964630 -6.431273 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=86) 0 -27.451270 -2.124107 -7.051169 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=86) 0 -26.700944 -4.154303 -6.816861 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=86) 0 -23.270915 -0.346382 -7.187149 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=86) 0 -23.680215 0.699087 -7.695412 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=87) 0 -21.983893 -0.506296 -6.858681 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=87) 0 -21.688156 -1.388639 -6.452994 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=87) 0 -20.950080 0.477279 -7.222209 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=87) 0 -21.406079 1.460584 -7.341744 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=87) 0 -19.863477 0.593382 -6.137057 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=87) 0 -19.460797 -0.390316 -5.902969 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=87) 0 -19.042317 1.197713 -6.526682 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=87) 0 -20.372747 1.243878 -4.845981 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=87) 0 -21.161173 0.624021 -4.413634 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=87) 0 -19.551596 1.286618 -4.129505 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=87) 0 -20.893281 2.661140 -5.099899 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=87) 0 -22.082821 2.929045 -4.817721 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=87) 0 -20.125069 3.517292 -5.597954 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=87) 0 -20.333648 0.144331 -8.580119 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=87) 0 -20.276397 1.019499 -9.446621 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=88) 0 -19.934914 -1.120906 -8.775948 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=88) 0 -20.047307 -1.748095 -7.982452 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=88) 0 -19.355709 -1.706329 -9.999802 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=88) 0 -19.098482 -2.738782 -9.764904 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=88) 0 -20.425056 -1.765996 -11.097906 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=88) 0 -21.303411 -2.296120 -10.725098 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=88) 0 -20.720012 -0.754236 -11.379387 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=88) 0 -19.925517 -2.435364 -12.236358 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=88) 0 -20.544992 -2.237196 -12.974445 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=88) 0 -18.056235 -1.048926 -10.497806 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=88) 0 -17.000519 -1.681063 -10.506919 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=89) 0 -18.092090 0.236787 -10.846625 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=89) 0 -18.980320 0.709226 -10.725063 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=89) 0 -16.998492 0.977847 -11.483645 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=89) 0 -16.688921 0.435063 -12.376481 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=89) 0 -17.487523 2.371175 -11.887543 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=89) 0 -17.815020 2.908243 -10.997266 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=89) 0 -16.656908 2.921474 -12.328223 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=89) 0 -18.611542 2.329367 -12.908889 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=89) 0 -18.483744 1.602429 -13.914905 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=89) 0 -19.604729 3.074295 -12.734379 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=89) 0 -15.762959 1.148610 -10.599660 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=89) 0 -14.667367 1.365519 -11.117515 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=90) 0 -15.917306 1.040170 -9.277528 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=90) 0 -16.850130 0.892255 -8.923569 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=90) 0 -14.787463 0.989956 -8.352973 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=90) 0 -14.067065 1.744752 -8.659264 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=90) 0 -15.278276 1.342950 -6.937285 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=90) 0 -15.696860 2.349372 -6.951994 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=90) 0 -16.068943 0.650019 -6.649690 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=90) 0 -14.157882 1.286637 -5.883341 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=90) 0 -13.777753 0.269366 -5.813125 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=90) 0 -12.999152 2.212176 -6.230306 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=90) 0 -13.341033 3.244360 -6.310248 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=90) 0 -12.247732 2.122168 -5.453649 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=90) 0 -12.533294 1.915464 -7.167303 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=90) 0 -14.674886 1.692569 -4.506550 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=90) 0 -13.919628 1.462462 -3.757483 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=90) 0 -14.877540 2.758020 -4.483463 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=90) 0 -15.587822 1.150510 -4.269894 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=90) 0 -14.060955 -0.362974 -8.420930 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=90) 0 -12.834766 -0.409745 -8.391351 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=91) 0 -14.801135 -1.460975 -8.577478 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=91) 0 -15.795430 -1.362126 -8.723650 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=91) 0 -14.222831 -2.791989 -8.720622 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=91) 0 -13.444913 -2.915106 -7.970676 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=91) 0 -15.333306 -3.819738 -8.458609 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=91) 0 -14.890217 -4.793211 -8.270722 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=91) 0 -15.907116 -3.541053 -7.574961 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=91) 0 -16.005502 -3.885878 -9.315160 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=91) 0 -13.532245 -2.945847 -10.085064 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=91) 0 -12.364373 -3.329146 -10.156911 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=92) 0 -14.195791 -2.504202 -11.157503 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=92) 0 -15.155480 -2.197672 -11.029528 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=92) 0 -13.638349 -2.498807 -12.515056 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=92) 0 -13.189090 -3.476303 -12.689521 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=92) 0 -14.774944 -2.311305 -13.539630 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=92) 0 -15.250826 -1.346404 -13.364129 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=92) 0 -14.346852 -2.298600 -14.542954 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=92) 0 -15.855982 -3.410717 -13.491234 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=92) 0 -16.379623 -3.376839 -12.536384 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=92) 0 -16.588585 -3.215186 -14.274170 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=92) 0 -15.281978 -4.811464 -13.684641 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=92) 0 -14.913161 -5.496291 -12.739172 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=92) 0 -15.121545 -5.286777 -14.898397 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=92) 0 -14.673884 -6.195632 -14.998748 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=92) 0 -15.437170 -4.765636 -15.696029 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=92) 0 -12.484937 -1.490218 -12.719409 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=92) 0 -11.878614 -1.468152 -13.792759 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=93) 0 -12.126329 -0.692530 -11.702476 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=93) 0 -12.666714 -0.732658 -10.849721 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=93) 0 -10.914393 0.141011 -11.694833 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=93) 0 -10.686408 0.404197 -12.724209 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=93) 0 -11.173897 1.447751 -10.914658 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=93) 0 -12.237699 1.531464 -10.714226 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=93) 0 -10.680638 1.412665 -9.941955 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=93) 0 -10.755132 2.724397 -11.670888 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=93) 0 -10.833406 2.578126 -12.746949 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=93) 0 -11.451085 3.520320 -11.413267 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=93) 0 -9.359270 3.220110 -11.312435 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=93) 0 -9.190312 4.011701 -10.393954 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=93) 0 -8.330220 2.824551 -12.023637 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=93) 0 -7.396455 3.079106 -11.722191 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=93) 0 -8.469385 2.187449 -12.803956 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=93) 0 -9.673069 -0.596927 -11.166807 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=93) 0 -8.561686 -0.184429 -11.487668 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=94) 0 -9.832495 -1.692779 -10.411951 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=94) 0 -10.774734 -1.999076 -10.196720 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=94) 0 -8.726227 -2.374520 -9.715976 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=94) 0 -7.787066 -1.997866 -10.118929 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=94) 0 -8.745641 -2.002392 -8.223455 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=94) 0 -9.667524 -2.380694 -7.779511 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=94) 0 -7.908798 -2.489648 -7.721948 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=94) 0 -8.627701 -0.508950 -7.972683 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=94) 0 -7.506884 0.197796 -8.454350 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=94) 0 -6.717887 -0.327749 -8.973433 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=94) 0 -7.429882 1.595211 -8.310705 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=94) 0 -6.588104 2.130175 -8.716801 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=94) 0 -8.463268 2.288351 -7.649493 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=94) 0 -8.428604 3.639603 -7.523350 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=94) 0 -7.737666 4.035340 -8.069528 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=94) 0 -9.559224 1.576551 -7.131169 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=94) 0 -10.328966 2.122570 -6.618465 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=94) 0 -9.652713 0.183619 -7.302078 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=94) 0 -10.521619 -0.345455 -6.938298 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=94) 0 -8.646700 -3.890204 -9.964166 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=94) 0 -7.988129 -4.603882 -9.212840 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=95) 0 -9.271830 -4.387540 -11.034663 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=95) 0 -9.856738 -3.767610 -11.571848 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=95) 0 -9.067234 -5.750243 -11.533750 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=95) 0 -9.480905 -5.834852 -12.539044 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=95) 0 -7.998342 -5.944057 -11.590386 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=95) 0 -9.692182 -6.827204 -10.647748 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=95) 0 -9.054219 -7.359539 -9.735148 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=96) 0 -10.949565 -7.160679 -10.935989 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=96) 0 -11.395835 -6.675453 -11.709627 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=96) 0 -11.711626 -8.207100 -10.246545 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=96) 0 -11.445538 -8.186516 -9.190658 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=96) 0 -13.228735 -7.952885 -10.340094 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=96) 0 -13.534009 -7.980737 -11.383598 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=96) 0 -14.038969 -8.987973 -9.549882 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=96) 0 -15.104212 -8.775144 -9.643498 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=96) 0 -13.864229 -9.987801 -9.941138 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=96) 0 -13.760975 -8.962088 -8.495950 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=96) 0 -13.602414 -6.580202 -9.785037 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=96) 0 -14.681982 -6.447094 -9.853369 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=96) 0 -13.277010 -6.492825 -8.748064 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=96) 0 -13.129909 -5.801217 -10.379464 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=96) 0 -11.322095 -9.572070 -10.813580 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=96) 0 -11.859700 -10.028304 -11.831078 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=97) 0 -10.399535 -10.254703 -10.134373 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=97) 0 -10.044092 -9.812976 -9.292768 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=97) 0 -9.984209 -11.640252 -10.398508 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=97) 0 -9.976286 -11.794599 -11.476108 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=97) 0 -8.542565 -11.860534 -9.929708 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=97) 0 -8.264055 -12.868219 -10.230584 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=97) 0 -7.894449 -11.171431 -10.469992 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=97) 0 -8.284619 -11.677043 -8.419890 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=97) 0 -8.066988 -10.626739 -8.222557 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=97) 0 -9.160862 -11.953743 -7.835639 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=97) 0 -7.108320 -12.545376 -7.952435 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=97) 0 -6.870855 -12.293991 -6.920212 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=97) 0 -7.404449 -13.592882 -7.964733 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=97) 0 -5.912315 -12.328075 -8.782154 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=97) 0 -5.471450 -11.418137 -8.687452 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=97) 0 -5.419314 -13.119143 -9.714981 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=97) 0 -5.940280 -14.278458 -10.010466 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=97) 0 -6.784312 -14.593129 -9.548084 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=97) 0 -5.561737 -14.844266 -10.758036 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=97) 0 -4.386695 -12.721414 -10.393439 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=97) 0 -4.061081 -11.766081 -10.291033 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=97) 0 -4.032259 -13.298132 -11.147610 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=97) 0 -10.980500 -12.666888 -9.850293 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=97) 0 -10.622028 -13.583517 -9.108072 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=98) 0 -12.250464 -12.492593 -10.198779 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=98) 0 -12.466395 -11.719219 -10.811489 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=98) 0 -13.351563 -13.212995 -9.574586 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=98) 0 -14.209908 -13.232705 -10.242581 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=98) 0 -13.045009 -14.239184 -9.387257 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=98) 0 -13.782442 -12.622517 -8.234760 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=98) 0 -13.253934 -11.612416 -7.766826 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=99) 0 -14.753196 -13.276304 -7.608288 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=99) 0 -15.097973 -14.128217 -8.038659 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=99) 0 -15.395392 -12.827467 -6.382227 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=99) 0 -14.992699 -11.847969 -6.141497 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=99) 0 -16.895612 -12.610867 -6.611866 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=99) 0 -17.406528 -13.569746 -6.548679 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=99) 0 -17.279735 -11.995699 -5.800717 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=99) 0 -17.279918 -11.948001 -7.923761 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=99) 0 -17.426224 -10.549336 -8.006580 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=99) 0 -17.193466 -9.927285 -7.153305 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=99) 0 -17.921010 -9.965202 -9.190105 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=99) 0 -18.053162 -8.898495 -9.252729 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=99) 0 -18.287910 -10.780832 -10.282623 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=99) 0 -18.797800 -10.248816 -11.420811 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=99) 0 -18.784483 -9.272992 -11.389973 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=99) 0 -18.086593 -12.169083 -10.215425 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=99) 0 -18.364943 -12.783930 -11.059309 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=99) 0 -17.562097 -12.747301 -9.047962 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=99) 0 -17.453076 -13.820280 -8.991494 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=99) 0 -15.117834 -13.820783 -5.232935 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=99) 0 -15.183165 -15.039709 -5.441883 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=100) 0 -14.770340 -13.341668 -4.026705 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=100) 0 -14.667139 -14.151982 -2.825914 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=100) 0 -14.107273 -15.067761 -3.012171 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=100) 0 -15.669128 -14.392728 -2.483267 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=100) 0 -13.955762 -13.288352 -1.784743 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=100) 0 -12.883857 -13.469217 -1.836150 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=100) 0 -14.331156 -13.478202 -0.779455 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=100) 0 -14.245080 -11.859694 -2.239732 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=100) 0 -13.475056 -11.160280 -1.911028 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=100) 0 -15.220818 -11.547464 -1.868824 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=100) 0 -14.295242 -11.988123 -3.762166 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=100) 0 -15.000904 -11.250548 -4.140952 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=100) 0 -12.912286 -11.771381 -4.397867 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=100) 0 -12.085093 -12.688364 -4.452243 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=101) 0 -12.642085 -10.550543 -4.845502 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=101) 0 -13.378615 -9.853017 -4.766785 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=101) 0 -11.270943 -10.056556 -5.032833 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=101) 0 -10.588225 -10.891760 -5.180946 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=101) 0 -11.160980 -9.170803 -6.279690 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=101) 0 -12.017565 -8.508006 -6.343800 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=101) 0 -9.879432 -8.343734 -6.381912 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=101) 0 -9.009352 -8.998475 -6.357194 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=101) 0 -9.885558 -7.787639 -7.317386 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=101) 0 -9.820718 -7.625567 -5.565861 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=101) 0 -11.157381 -10.008808 -7.403159 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=101) 0 -11.973055 -10.549520 -7.392158 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=101) 0 -10.851001 -9.342652 -3.754752 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=101) 0 -11.669783 -8.686878 -3.115051 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=102) 0 -9.585975 -9.486377 -3.369641 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=102) 0 -8.963825 -10.029197 -3.958008 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=102) 0 -8.995371 -8.831729 -2.205024 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=102) 0 -9.658539 -8.030673 -1.899038 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=102) 0 -8.837822 -9.785314 -0.997446 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=102) 0 -7.994857 -10.443454 -1.192538 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=102) 0 -8.524994 -8.933216 0.243869 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=102) 0 -8.342259 -9.571525 1.109046 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=102) 0 -7.640209 -8.317822 0.091826 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=102) 0 -9.374845 -8.285315 0.454473 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=102) 0 -10.066152 -10.660995 -0.651346 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=102) 0 -10.034581 -10.918971 0.408357 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=102) 0 -10.983361 -10.097493 -0.825222 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=102) 0 -10.119540 -11.991671 -1.412290 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=102) 0 -10.342525 -11.826944 -2.462432 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=102) 0 -9.166829 -12.513741 -1.319139 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=102) 0 -10.900773 -12.617491 -0.985084 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=102) 0 -7.646356 -8.229775 -2.612850 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=102) 0 -6.793822 -8.940982 -3.151516 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=103) 0 -7.438964 -6.937632 -2.342122 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=103) 0 -8.200493 -6.428860 -1.898322 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=103) 0 -6.193808 -6.202955 -2.638191 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=103) 0 -5.391925 -6.918056 -2.822913 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=103) 0 -6.372131 -5.342166 -3.901499 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=103) 0 -7.290623 -4.763510 -3.825498 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=103) 0 -5.536299 -4.643214 -3.976861 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=103) 0 -6.386796 -6.195809 -5.175859 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=103) 0 -5.435162 -6.717318 -5.235145 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=103) 0 -7.193074 -6.928308 -5.136151 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=103) 0 -6.551059 -5.339559 -6.434645 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=103) 0 -7.604946 -5.108557 -6.597964 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=103) 0 -6.008270 -4.403210 -6.303732 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=103) 0 -5.955511 -6.048717 -7.655069 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=103) 0 -5.904614 -5.332729 -8.480697 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=103) 0 -4.934023 -6.348555 -7.411587 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=103) 0 -6.727422 -7.235252 -8.092687 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=103) 0 -7.644168 -6.984147 -8.455763 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=103) 0 -6.228336 -7.703078 -8.840596 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=103) 0 -6.799299 -7.935129 -7.352855 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=103) 0 -5.728168 -5.344490 -1.463468 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=103) 0 -6.516826 -5.006488 -0.589466 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=104) 0 -4.457371 -4.967700 -1.457569 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=104) 0 -3.884401 -5.274145 -2.236313 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=104) 0 -3.831568 -4.045332 -0.512581 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=104) 0 -4.528102 -3.820675 0.292550 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=104) 0 -2.594340 -4.725118 0.081234 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=104) 0 -2.905951 -5.668076 0.521657 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=104) 0 -1.914296 -4.969432 -0.732148 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=104) 0 -1.841523 -3.922329 1.128288 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=104) 0 -2.481478 -3.524800 2.318411 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=104) 0 -3.516932 -3.780568 2.488379 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=104) 0 -1.781955 -2.782053 3.286364 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=104) 0 -2.286219 -2.468353 4.187954 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=104) 0 -0.432725 -2.448384 3.076856 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=104) 0 0.111028 -1.877635 3.815550 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=104) 0 0.211479 -2.855070 1.896733 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=104) 0 1.253506 -2.619644 1.736233 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=104) 0 -0.490560 -3.583515 0.921388 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=104) 0 0.019346 -3.887297 0.016178 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=104) 0 -3.472687 -2.724934 -1.194016 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=104) 0 -3.190025 -2.710029 -2.387554 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=105) 0 -3.486850 -1.637520 -0.423361 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=105) 0 -3.781881 -1.749818 0.541423 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=105) 0 -3.137947 -0.278378 -0.831515 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=105) 0 -2.431633 -0.317629 -1.663709 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=105) 0 -4.402966 0.464680 -1.283449 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=105) 0 -5.143591 0.399503 -0.484869 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=105) 0 -4.150223 1.517525 -1.406143 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=105) 0 -5.041753 -0.009647 -2.577308 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=105) 0 -4.762703 0.656852 -3.785805 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=105) 0 -4.053393 1.472050 -3.800479 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=105) 0 -5.412616 0.270300 -4.971596 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=105) 0 -5.204514 0.786318 -5.898629 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=105) 0 -6.326932 -0.797881 -4.956813 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=105) 0 -6.823252 -1.093800 -5.869514 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=105) 0 -6.590125 -1.482699 -3.758046 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=105) 0 -7.290266 -2.304774 -3.746967 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=105) 0 -5.954899 -1.081916 -2.569109 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=105) 0 -6.162311 -1.602189 -1.646313 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=105) 0 -2.484172 0.482064 0.338875 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=105) 0 -2.702935 0.162945 1.514036 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=106) 0 -1.701995 1.521765 0.021004 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=106) 0 -1.628910 1.781534 -0.954883 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=106) 0 -0.968635 2.359816 0.988724 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=106) 0 -1.412184 2.245465 1.975884 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=106) 0 0.516539 1.955838 1.037691 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=106) 0 0.980846 2.269631 0.100153 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=106) 0 0.979654 2.506791 1.855713 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=106) 0 0.838154 0.472669 1.247891 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=106) 0 0.518573 0.162613 2.242224 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=106) 0 0.313998 -0.128076 0.504844 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=106) 0 2.343445 0.220833 1.071244 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=106) 0 2.494837 -0.854200 1.057449 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=106) 0 2.660137 0.612508 0.102301 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=106) 0 3.167498 0.828501 2.134878 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=106) 0 3.431869 1.801678 2.044311 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=106) 0 3.585831 0.251392 3.242952 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=106) 0 3.492523 -1.023074 3.458496 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=106) 0 3.472888 -1.640985 2.646549 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=106) 0 3.897373 -1.402711 4.306277 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=106) 0 4.119724 0.990356 4.161720 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=106) 0 4.357541 1.949283 3.912544 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=106) 0 4.364137 0.624270 5.076597 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=106) 0 -1.026710 3.840114 0.605329 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=106) 0 -1.236837 4.143884 -0.560890 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=107) 0 -0.701740 4.745989 1.530434 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=107) 0 -0.621266 4.395628 2.478774 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=107) 0 -0.209699 6.113699 1.260452 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=107) 0 -0.199875 6.634792 2.218434 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=107) 0 1.249003 6.025897 0.771364 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=107) 0 1.250868 5.644364 -0.250003 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=107) 0 1.698821 7.018832 0.761142 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=107) 0 2.118752 5.138248 1.628163 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=107) 0 2.162212 5.245662 2.846132 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=107) 0 2.822094 4.213399 1.036972 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=107) 0 3.526487 3.771653 1.619512 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=107) 0 2.915879 4.184029 0.028579 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=107) 0 -1.055565 7.005486 0.316871 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=107) 0 -0.506607 7.885860 -0.356345 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=108) 0 -2.366434 6.772824 0.193836 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=108) 0 -2.765245 6.001039 0.718316 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=108) 0 -3.193694 7.453385 -0.818754 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=108) 0 -4.242263 7.346059 -0.576890 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=108) 0 -2.980342 8.520616 -0.788758 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=108) 0 -2.965628 6.971860 -2.263646 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=108) 0 -3.505398 7.562381 -3.195723 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=109) 0 -2.141418 5.943620 -2.462654 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=109) 0 -1.810183 5.438545 -1.648421 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=109) 0 -1.516877 5.565593 -3.727904 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=109) 0 -1.513750 6.437738 -4.382888 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=109) 0 -0.052055 5.180636 -3.454694 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=109) 0 0.405956 5.945066 -2.828058 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=109) 0 -0.003382 4.234272 -2.914229 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=109) 0 0.743065 5.074652 -4.751324 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=109) 0 0.964613 6.136226 -5.385606 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=109) 0 1.107320 3.950395 -5.161360 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=109) 0 -2.281432 4.446271 -4.444815 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=109) 0 -2.092634 3.254828 -4.191222 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=110) 0 -3.136932 4.823962 -5.394001 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=110) 0 -3.282910 5.813239 -5.557761 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=110) 0 -3.891333 3.853579 -6.205769 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=110) 0 -4.288953 3.098672 -5.529001 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=110) 0 -5.097640 4.495431 -6.896999 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=110) 0 -5.642555 3.714933 -7.424223 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=110) 0 -6.046748 5.165173 -5.903906 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=110) 0 -5.547559 5.979408 -5.377948 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=110) 0 -6.908013 5.567149 -6.431576 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=110) 0 -6.398904 4.427616 -5.186172 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=110) 0 -4.701880 5.474960 -7.826989 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=110) 0 -5.422637 5.513255 -8.482687 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=110) 0 -3.022982 3.091790 -7.217283 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=110) 0 -3.476506 2.084447 -7.759963 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=111) 0 -1.765556 3.508823 -7.417422 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=111) 0 -1.484752 4.376855 -6.982698 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=111) 0 -0.725887 2.776795 -8.149108 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=111) 0 -1.184397 2.324854 -9.028769 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=111) 0 0.321231 3.781993 -8.641712 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=111) 0 0.802738 4.271591 -7.796064 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=111) 0 1.087421 3.260179 -9.214308 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=111) 0 -0.149056 4.524270 -9.286299 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=111) 0 -0.082141 1.618502 -7.349533 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=111) 0 0.793241 0.923460 -7.868193 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=112) 0 -0.541261 1.350407 -6.119955 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=112) 0 -1.200432 2.001108 -5.710363 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=112) 0 -0.097693 0.224643 -5.279553 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=112) 0 0.771068 -0.242166 -5.741975 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=112) 0 0.373468 0.783252 -3.925064 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=112) 0 -0.431448 1.349920 -3.455060 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=112) 0 0.647345 -0.042218 -3.266402 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=112) 0 1.516630 1.605667 -4.080030 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=112) 0 1.247826 2.457198 -4.506133 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=112) 0 -1.133050 -0.918752 -5.094795 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=112) 0 -1.262267 -1.385218 -3.966033 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=113) 0 -1.886215 -1.395334 -6.118005 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=113) 0 -1.771958 -1.052408 -7.532497 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=113) 0 -0.765669 -1.236579 -7.907506 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=113) 0 -2.053567 -0.013640 -7.681208 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=113) 0 -2.786537 -1.912951 -8.281210 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=113) 0 -2.344166 -2.873536 -8.548267 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=113) 0 -3.169110 -1.407237 -9.165865 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=113) 0 -3.865179 -2.100518 -7.221191 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=113) 0 -4.535165 -2.926566 -7.457367 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=113) 0 -4.435304 -1.177235 -7.125882 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=113) 0 -3.013618 -2.332275 -5.962171 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=113) 0 -3.595749 -2.062047 -5.079656 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=113) 0 -2.577417 -3.809079 -5.807075 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=113) 0 -2.985680 -4.676836 -6.588511 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=114) 0 -1.726625 -4.119892 -4.824262 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=114) 0 -1.486727 -3.371483 -4.177728 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=114) 0 -1.161160 -5.466185 -4.604241 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=114) 0 -0.620326 -5.763374 -5.501400 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=114) 0 -0.170469 -5.392822 -3.429465 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=114) 0 0.630262 -4.697876 -3.686190 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=114) 0 -0.693379 -4.966558 -2.575090 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=114) 0 0.448129 -6.732451 -2.977665 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=114) 0 0.919677 -6.555056 -2.010987 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=114) 0 -0.329772 -7.469916 -2.794973 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=114) 0 1.526535 -7.295721 -3.926216 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=114) 0 1.919350 -6.488969 -4.547361 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=114) 0 2.356149 -7.663318 -3.320170 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=114) 0 1.074404 -8.439227 -4.838622 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=114) 0 0.213663 -8.117331 -5.424483 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=114) 0 1.890560 -8.664722 -5.530409 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=114) 0 0.738547 -9.658583 -4.072242 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=114) 0 -0.123717 -9.549472 -3.546412 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=114) 0 0.597282 -10.466364 -4.677224 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=114) 0 1.462061 -9.910265 -3.402171 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=114) 0 -2.261214 -6.497462 -4.337193 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=114) 0 -3.068882 -6.321215 -3.432411 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=115) 0 -2.268747 -7.610919 -5.064947 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=115) 0 -1.645904 -7.673240 -5.861939 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=115) 0 -3.179949 -8.732014 -4.794814 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=115) 0 -4.201867 -8.359827 -4.820908 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=115) 0 -3.022556 -9.792522 -5.897102 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=115) 0 -2.770409 -9.310232 -6.842782 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=115) 0 -2.200422 -10.460160 -5.637770 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=115) 0 -4.299104 -10.614319 -6.103249 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=115) 0 -4.044267 -11.514640 -6.665693 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=115) 0 -4.701896 -10.926623 -5.137487 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=115) 0 -5.344855 -9.820285 -6.893248 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=115) 0 -5.189690 -9.676938 -8.126932 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=115) 0 -6.352667 -9.364870 -6.308986 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=115) 0 -2.941122 -9.342299 -3.398607 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=115) 0 -1.798406 -9.603300 -3.020613 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=116) 0 -4.002475 -9.592811 -2.631258 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=116) 0 -4.928236 -9.374037 -2.986555 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=116) 0 -3.930432 -10.314125 -1.356141 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=116) 0 -2.930645 -10.214388 -0.930761 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=116) 0 -4.921353 -9.702436 -0.358793 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=116) 0 -4.540322 -8.727128 -0.061914 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=116) 0 -5.863121 -9.536065 -0.869729 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=116) 0 -5.223051 -10.539011 0.877057 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=116) 0 -4.542567 -10.296380 2.083206 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=116) 0 -3.795386 -9.518863 2.126828 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=116) 0 -4.848176 -11.049394 3.234288 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=116) 0 -4.337972 -10.853479 4.160979 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=116) 0 -5.841557 -12.048809 3.181889 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=116) 0 -6.149639 -12.777182 4.282997 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=116) 0 -5.535753 -12.612667 5.009201 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=116) 0 -6.516338 -12.301027 1.974382 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=116) 0 -7.264687 -13.077699 1.943294 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=116) 0 -6.200203 -11.555789 0.824913 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=116) 0 -6.705042 -11.780155 -0.102507 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=116) 0 -4.213301 -11.802103 -1.558923 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=116) 0 -5.119760 -12.178164 -2.307184 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=117) 0 -3.498835 -12.662974 -0.832420 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=117) 0 -2.756093 -12.300475 -0.249574 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=117) 0 -3.916457 -14.049862 -0.580881 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=117) 0 -5.001262 -14.066719 -0.501075 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=117) 0 -3.513183 -14.989005 -1.732793 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=117) 0 -2.427567 -14.996919 -1.825731 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=117) 0 -4.015915 -16.420862 -1.547224 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=117) 0 -5.105588 -16.438862 -1.513459 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=117) 0 -3.661614 -17.047563 -2.362850 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=117) 0 -3.621352 -16.841835 -0.628806 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=117) 0 -4.084634 -14.544493 -2.951676 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=117) 0 -4.580869 -13.725977 -2.741721 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=117) 0 -3.340067 -14.549516 0.748202 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=117) 0 -2.188341 -14.271688 1.081821 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=118) 0 -4.138189 -15.305079 1.498853 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=118) 0 -5.086083 -15.437090 1.155994 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=118) 0 -3.753859 -16.095549 2.668290 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=118) 0 -2.770581 -16.538510 2.504684 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=118) 0 -3.670594 -15.164633 3.888622 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=118) 0 -4.646999 -14.733453 4.086058 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=118) 0 -3.345092 -15.728287 4.762098 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=118) 0 -2.958820 -14.359825 3.701722 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=118) 0 -4.774878 -17.247618 2.824639 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=118) 0 -4.996309 -18.006914 1.875043 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=119) 0 -5.431435 -17.352239 3.983399 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=119) 0 -5.118533 -16.749071 4.727838 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=119) 0 -6.815981 -17.824703 4.086625 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=119) 0 -7.014221 -18.593677 3.341743 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=119) 0 -6.974622 -18.264832 5.067784 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=119) 0 -7.800060 -16.665053 3.866412 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=119) 0 -7.593168 -15.854591 2.960634 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=120) 0 -8.860857 -16.559525 4.675727 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=120) 0 -8.979484 -17.273636 5.389470 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=120) 0 -9.803429 -15.415614 4.687256 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=120) 0 -9.278804 -14.523488 4.340038 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=120) 0 -10.989143 -15.689948 3.741855 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=120) 0 -11.429380 -16.657040 3.977967 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=120) 0 -11.757785 -14.934555 3.905483 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=120) 0 -10.597469 -15.636314 2.260456 L H-H1 57 0.0000 H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=120) 0 -10.097656 -14.687563 2.058054 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=120) 0 -9.923287 -16.457391 2.019831 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=120) 0 -10.327319 -15.026845 6.077216 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=120) 0 -11.139864 -14.112658 6.170124 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=121) 0 -9.894350 -15.692182 7.144891 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=121) 0 -9.176607 -16.398313 7.025093 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=121) 0 -10.278240 -15.348835 8.515830 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=121) 0 -11.351208 -15.169645 8.521936 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=121) 0 -9.978558 -16.533987 9.454475 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=121) 0 -10.020806 -17.468677 8.893337 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=121) 0 -8.980506 -16.426630 9.882818 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=121) 0 -11.031341 -16.596144 10.566171 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=121) 0 -11.044185 -15.642524 11.087155 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=121) 0 -12.006439 -16.758485 10.108031 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=121) 0 -10.804157 -17.689753 11.603624 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=121) 0 -10.204933 -18.744361 11.286590 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=121) 0 -11.254124 -17.501270 12.758522 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=121) 0 -9.595633 -14.051466 8.982514 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=121) 0 -8.577770 -13.641490 8.423136 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=122) 0 -10.108927 -13.400062 10.025595 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=122) 0 -10.994972 -13.718240 10.415811 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=122) 0 -9.566650 -12.131510 10.506449 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=122) 0 -9.686342 -11.403389 9.707219 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=122) 0 -10.402592 -11.670502 11.692826 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=122) 0 -10.344988 -12.400362 12.500724 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=122) 0 -10.041245 -10.705989 12.048017 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=122) 0 -11.428343 -11.573547 11.349604 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=122) 0 -8.069307 -12.171740 10.854984 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=122) 0 -7.366033 -11.208150 10.569106 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=123) 0 -7.544032 -13.272796 11.395706 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=123) 0 -8.181838 -14.000240 11.700528 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=123) 0 -6.097662 -13.440679 11.592576 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=123) 0 -5.698743 -12.470865 11.889666 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=123) 0 -5.788043 -14.378119 12.766530 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=123) 0 -4.743911 -14.234240 13.050354 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=123) 0 -6.400041 -14.095632 13.625062 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=123) 0 -6.005836 -15.854370 12.450167 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=123) 0 -7.166895 -16.322066 12.531017 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=123) 0 -5.012010 -16.579667 12.210219 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=123) 0 -5.340705 -13.825715 10.308453 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=123) 0 -4.166946 -13.493670 10.197675 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=124) 0 -5.988862 -14.410479 9.293991 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=124) 0 -6.986250 -14.561659 9.384465 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=124) 0 -5.384360 -14.576315 7.958465 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=124) 0 -4.399043 -15.028833 8.070887 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=124) 0 -6.238531 -15.475781 7.048555 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=124) 0 -7.162928 -14.961343 6.791251 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=124) 0 -5.690975 -15.621465 6.119043 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=124) 0 -6.575101 -16.852569 7.611713 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=124) 0 -5.757371 -17.425558 8.362112 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=124) 0 -7.631738 -17.401872 7.227037 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=124) 0 -5.222499 -13.220183 7.252936 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=124) 0 -4.267915 -12.992685 6.504093 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=125) 0 -6.169731 -12.312372 7.488246 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=125) 0 -6.971343 -12.629569 8.029533 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=125) 0 -6.165109 -10.918358 7.038419 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=125) 0 -5.893163 -10.864586 5.986667 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=125) 0 -7.600422 -10.357186 7.192911 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=125) 0 -7.966091 -10.614512 8.185110 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=125) 0 -7.630768 -8.826617 7.076834 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=125) 0 -7.116119 -8.371574 7.922507 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=125) 0 -7.149866 -8.516606 6.153873 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=125) 0 -8.658244 -8.468825 7.078024 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=125) 0 -8.548692 -11.003203 6.153862 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=125) 0 -8.373015 -10.559228 5.172799 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=125) 0 -8.341252 -12.070490 6.074675 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=125) 0 -10.034016 -10.868765 6.514653 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=125) 0 -10.332293 -9.822936 6.555440 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=125) 0 -10.630911 -11.377895 5.758947 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=125) 0 -10.228020 -11.337336 7.478703 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=125) 0 -5.102750 -10.128893 7.814105 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=125) 0 -4.227795 -9.495076 7.219649 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=126) 0 -5.133942 -10.203414 9.146186 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=126) 0 -5.883876 -10.738949 9.575608 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=126) 0 -4.277682 -9.394929 10.018310 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=126) 0 -4.236162 -8.393229 9.591582 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=126) 0 -4.904643 -9.237914 11.418872 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=126) 0 -5.180518 -10.214233 11.814935 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=126) 0 -3.957749 -8.560956 12.411675 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=126) 0 -3.593992 -7.626226 11.987820 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=126) 0 -4.478322 -8.353572 13.347890 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=126) 0 -3.120489 -9.222309 12.630592 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=126) 0 -6.150664 -8.342767 11.319399 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=126) 0 -6.621361 -8.244845 12.295478 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=126) 0 -5.868105 -7.356642 10.959173 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=126) 0 -6.878107 -8.765139 10.629384 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=126) 0 -2.828003 -9.883770 10.026515 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=126) 0 -1.949999 -9.042546 9.870558 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=127) 0 -2.527344 -11.188502 10.081443 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=127) 0 -3.273114 -11.872683 10.174470 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=127) 0 -1.139158 -11.682226 9.991535 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=127) 0 -0.563697 -11.299168 10.836431 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=127) 0 -1.100498 -13.220577 10.006375 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=127) 0 -1.810300 -13.606294 9.279739 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=127) 0 -0.108000 -13.550469 9.702029 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=127) 0 -1.379071 -13.869778 11.343327 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=127) 0 -1.462041 -13.232667 12.384392 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=127) 0 -1.448656 -15.175726 11.365622 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=127) 0 -1.748988 -15.636972 12.215941 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=127) 0 -1.413036 -15.692386 10.498592 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=127) 0 -0.442620 -11.209862 8.707745 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=127) 0 0.736194 -10.863924 8.734584 L N-N--0.415700(PDBName=N,ResName=TRP,ResNum=128) 0 -1.171607 -11.168256 7.590183 L H-H-0.271900(PDBName=H,ResName=TRP,ResNum=128) 0 -2.133206 -11.477695 7.636684 L C-CT--0.027500(PDBName=CA,ResName=TRP,ResNum=128) 0 -0.652650 -10.709585 6.303334 L H-H1-0.112300(PDBName=HA,ResName=TRP,ResNum=128) 0 0.278899 -11.235402 6.090330 L C-CT--0.005000(PDBName=CB,ResName=TRP,ResNum=128) 0 -1.675460 -11.083041 5.229955 L H-HC-0.033900(PDBName=HB2,ResName=TRP,ResNum=128) 0 -1.975802 -12.120666 5.375607 L H-HC-0.033900(PDBName=HB3,ResName=TRP,ResNum=128) 0 -2.558643 -10.461757 5.367154 L C-C*--0.141500(PDBName=CG,ResName=TRP,ResNum=128) 0 -1.212490 -10.947562 3.817380 L C-CW--0.163800(PDBName=CD1,ResName=TRP,ResNum=128) 0 -0.712233 -11.947952 3.061132 L H-H4-0.206200(PDBName=HD1,ResName=TRP,ResNum=128) 0 -0.573590 -12.970295 3.392520 L N-NA--0.341800(PDBName=NE1,ResName=TRP,ResNum=128) 0 -0.398903 -11.471163 1.804754 L H-H-0.341200(PDBName=HE1,ResName=TRP,ResNum=128) 0 0.060069 -12.046395 1.101902 L C-CN-0.138000(PDBName=CE2,ResName=TRP,ResNum=128) 0 -0.707024 -10.135146 1.677441 L C-CA--0.260100(PDBName=CZ2,ResName=TRP,ResNum=128) 0 -0.599618 -9.220506 0.620822 L H-HA-0.157200(PDBName=HZ2,ResName=TRP,ResNum=128) 0 -0.208363 -9.535283 -0.336940 L C-CA--0.113400(PDBName=CH2,ResName=TRP,ResNum=128) 0 -0.999164 -7.890202 0.830367 L H-HA-0.141700(PDBName=HH2,ResName=TRP,ResNum=128) 0 -0.915711 -7.171193 0.026661 L C-CA--0.197200(PDBName=CZ3,ResName=TRP,ResNum=128) 0 -1.491779 -7.495966 2.089279 L H-HA-0.144700(PDBName=HZ3,ResName=TRP,ResNum=128) 0 -1.787742 -6.471971 2.258072 L C-CA--0.238700(PDBName=CE3,ResName=TRP,ResNum=128) 0 -1.594231 -8.420614 3.142648 L H-HA-0.170000(PDBName=HE3,ResName=TRP,ResNum=128) 0 -1.985867 -8.106455 4.097580 L C-CB-0.124300(PDBName=CD2,ResName=TRP,ResNum=128) 0 -1.209954 -9.765647 2.961916 L C-C-0.597300(PDBName=C,ResName=TRP,ResNum=128) 0 -0.352557 -9.201713 6.313644 L O-O--0.567900(PDBName=O,ResName=TRP,ResNum=128) 0 0.688411 -8.774075 5.813434 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=129) 0 -1.215400 -8.394424 6.942068 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=129) 0 -2.058372 -8.812279 7.322989 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=129) 0 -1.005722 -6.953905 7.141547 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=129) 0 -0.725678 -6.506279 6.187559 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=129) 0 -2.331286 -6.328141 7.620868 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=129) 0 -2.713863 -6.918621 8.453322 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=129) 0 -2.139995 -5.322592 7.997336 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=129) 0 -3.406032 -6.249191 6.516555 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=129) 0 -3.419958 -7.175088 5.943084 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=129) 0 -4.796242 -6.049793 7.121174 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=129) 0 -4.842594 -5.122878 7.686340 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=129) 0 -5.543015 -6.024804 6.328584 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=129) 0 -5.028733 -6.884723 7.780999 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=129) 0 -3.115668 -5.086902 5.563709 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=129) 0 -3.073203 -4.148998 6.114810 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=129) 0 -2.171211 -5.248903 5.046289 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=129) 0 -3.904516 -5.015776 4.819213 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=129) 0 0.151819 -6.666529 8.118026 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=129) 0 0.973261 -5.781276 7.856334 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=130) 0 0.297675 -7.464754 9.183923 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=130) 0 -0.424838 -8.167473 9.325127 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=130) 0 1.380935 -7.409896 10.193525 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=130) 0 1.516725 -6.370517 10.497429 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=130) 0 0.974367 -8.220220 11.448773 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=130) 0 0.887408 -9.265477 11.146761 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=130) 0 1.771272 -8.168850 12.192367 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=130) 0 -0.351617 -7.820300 12.130723 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=130) 0 -1.025657 -7.370715 11.404779 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=130) 0 -0.811542 -8.739810 12.494534 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=130) 0 -0.253932 -6.852975 13.316345 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=130) 0 0.406570 -7.265134 14.081306 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=130) 0 0.130020 -5.892459 12.971042 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=130) 0 -1.674570 -6.692856 13.883489 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=130) 0 -2.328663 -6.313417 13.095669 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=130) 0 -2.045346 -7.677838 14.183155 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=130) 0 -1.750426 -5.785992 15.045704 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=130) 0 -1.186512 -6.127894 15.817216 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=130) 0 -1.414141 -4.860292 14.820511 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=130) 0 -2.716982 -5.730551 15.381996 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=130) 0 2.753007 -7.872180 9.647305 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=130) 0 3.650601 -8.192816 10.424107 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=131) 0 2.916845 -7.922026 8.316526 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=131) 0 2.083556 -7.771135 7.767433 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=131) 0 4.168763 -8.208546 7.581377 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=131) 0 4.991217 -8.278292 8.296806 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=131) 0 4.044591 -9.566283 6.863743 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=131) 0 3.145206 -9.572908 6.249711 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=131) 0 4.906949 -9.730609 6.216194 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=131) 0 3.990822 -10.704007 7.884409 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=131) 0 4.959337 -10.758017 8.377317 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=131) 0 3.228325 -10.487639 8.628677 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=131) 0 3.695326 -12.070100 7.264819 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=131) 0 2.954717 -11.962822 6.471479 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=131) 0 4.615481 -12.469198 6.836185 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=131) 0 3.136098 -13.043839 8.310419 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=131) 0 2.129155 -12.718269 8.582823 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=131) 0 3.056449 -14.036865 7.858099 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=131) 0 3.972617 -13.114688 9.530804 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=131) 0 4.066377 -12.212684 9.991151 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=131) 0 3.581907 -13.773002 10.198473 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=131) 0 4.913358 -13.435730 9.319070 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=131) 0 4.576305 -7.100196 6.599879 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=131) 0 5.593816 -7.238035 5.919589 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=132) 0 3.801601 -6.012390 6.514517 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=132) 0 2.983816 -5.987962 7.105386 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=132) 0 4.072104 -4.875181 5.610365 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=132) 0 5.152725 -4.777554 5.487195 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=132) 0 3.473806 -5.181426 4.224991 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=132) 0 3.736300 -4.373363 3.542341 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=132) 0 3.937526 -6.091821 3.846496 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=132) 0 1.944417 -5.356443 4.217538 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=132) 0 1.642176 -6.117035 4.938099 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=132) 0 1.473599 -4.411167 4.487310 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=132) 0 1.446652 -5.766421 2.830203 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=132) 0 0.358809 -5.709044 2.824498 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=132) 0 1.822013 -5.048652 2.100206 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=132) 0 1.857354 -7.139321 2.479006 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=132) 0 1.601984 -7.892224 3.104176 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=132) 0 2.505231 -7.523723 1.397233 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=132) 0 2.885792 -6.706690 0.468430 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=132) 0 2.754680 -5.697731 0.545667 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=132) 0 3.436721 -7.052147 -0.299892 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=132) 0 2.796756 -8.777320 1.235207 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=132) 0 2.547699 -9.414573 1.984727 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=132) 0 3.291927 -9.099954 0.417710 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=132) 0 3.609595 -3.508139 6.116792 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=132) 0 4.121157 -2.487873 5.670430 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=133) 0 2.619542 -3.461761 7.004463 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=133) 0 2.243316 -4.327622 7.354881 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=133) 0 2.083494 -2.201412 7.547266 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=133) 0 2.032317 -1.473885 6.736080 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=133) 0 0.659715 -2.378049 8.078320 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=133) 0 0.320990 -1.432049 8.500282 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=133) 0 -0.302820 -2.793085 6.965090 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=133) 0 -0.059722 -3.782044 6.581546 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=133) 0 -1.322338 -2.799093 7.345855 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=133) 0 -0.229432 -2.079181 6.148844 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=133) 0 0.618412 -3.368527 9.073308 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=133) 0 0.777683 -4.226817 8.652580 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=133) 0 3.006630 -1.595983 8.607695 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=133) 0 3.782479 -2.305418 9.249066 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=134) 0 2.947850 -0.273848 8.772131 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=134) 0 2.239366 0.235624 8.264781 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=134) 0 4.088589 0.517450 9.244009 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=134) 0 3.728338 1.388741 9.790795 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=134) 0 4.709238 -0.078993 9.913023 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=134) 0 4.941684 0.999227 8.057428 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=134) 0 4.519874 0.839441 6.904950 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=135) 0 6.115845 1.612938 8.291185 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=135) 0 6.783904 1.771483 9.574592 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=135) 0 6.757094 0.850417 10.157825 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=135) 0 6.317731 2.587961 10.128091 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=135) 0 8.232962 2.132282 9.241364 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=135) 0 8.819595 1.224427 9.097761 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=135) 0 8.682990 2.757697 10.012414 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=135) 0 8.105369 2.875441 7.912244 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=135) 0 9.023116 2.820461 7.325211 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=135) 0 7.845128 3.912980 8.108445 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=135) 0 6.926764 2.185638 7.219569 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=135) 0 6.341158 2.932114 6.686144 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=135) 0 7.386203 1.111801 6.229313 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=135) 0 7.872264 0.055841 6.636643 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=136) 0 7.254849 1.387011 4.927164 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=136) 0 6.816256 2.264353 4.661326 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=136) 0 7.622143 0.426410 3.879687 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=136) 0 7.068469 -0.500962 4.041423 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=136) 0 7.241240 0.988037 2.509130 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=136) 0 7.731313 1.947787 2.352142 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=136) 0 7.559235 0.289943 1.732772 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=136) 0 6.165769 1.109131 2.429969 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=136) 0 9.116516 0.075090 3.901657 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=136) 0 9.477937 -1.058869 3.595118 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=137) 0 9.975991 1.023490 4.291652 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=137) 0 9.605399 1.921903 4.553202 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=137) 0 11.358811 0.728496 4.634085 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=137) 0 11.693793 -0.102954 4.023009 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=137) 0 12.260218 1.914326 4.282731 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=137) 0 12.082103 2.742708 4.965154 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=137) 0 13.295195 1.595118 4.377461 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=137) 0 12.085863 2.234834 3.256194 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=137) 0 11.445560 0.304893 6.108730 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=137) 0 11.427267 1.148204 7.009275 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=138) 0 11.536047 -1.001560 6.350070 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=138) 0 11.506936 -1.640477 5.558838 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=138) 0 11.689570 -1.594662 7.684714 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=138) 0 10.828999 -1.324168 8.291242 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=138) 0 11.767088 -3.123139 7.573480 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=138) 0 12.688132 -3.387803 7.058485 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=138) 0 11.727797 -3.832313 8.925712 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=138) 0 10.809744 -3.576072 9.453712 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=138) 0 11.760975 -4.911116 8.771527 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=138) 0 12.589141 -3.544440 9.528715 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=138) 0 10.674702 -3.611497 6.828940 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=138) 0 10.952244 -4.472375 6.454327 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=138) 0 12.964060 -1.079540 8.349211 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=138) 0 14.031680 -1.114804 7.739162 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=139) 0 12.892887 -0.605002 9.591491 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=139) 0 11.999170 -0.587063 10.068279 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=139) 0 14.074796 -0.029706 10.256311 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=139) 0 14.623154 0.548906 9.514084 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=139) 0 13.686866 0.957717 11.360525 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=139) 0 13.240588 0.415909 12.193554 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=139) 0 14.897629 1.751585 11.848160 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=139) 0 15.366152 2.272350 11.012319 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=139) 0 14.579224 2.482686 12.587156 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=139) 0 15.622800 1.086349 12.315655 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=139) 0 12.748810 1.890147 10.859383 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=139) 0 11.917616 1.730026 11.348723 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=139) 0 15.012078 -1.127855 10.771922 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=139) 0 14.592901 -2.025730 11.502970 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=140) 0 16.288620 -1.053913 10.388419 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=140) 0 16.537198 -0.280023 9.780060 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=140) 0 17.324352 -2.065677 10.607092 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=140) 0 16.884860 -2.952919 11.060436 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=140) 0 17.924357 -2.464363 9.244532 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=140) 0 18.320928 -1.564593 8.777546 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=140) 0 18.763608 -3.139616 9.422048 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=140) 0 16.968725 -3.125921 8.239027 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=140) 0 16.098172 -2.498433 8.078556 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=140) 0 17.707131 -3.268514 6.908355 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=140) 0 18.659435 -3.769236 7.065592 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=140) 0 17.111002 -3.841272 6.201373 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=140) 0 17.893058 -2.278290 6.494379 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=140) 0 16.510306 -4.502623 8.712371 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=140) 0 15.905321 -4.400818 9.613178 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=140) 0 15.901517 -4.977857 7.944851 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=140) 0 17.376393 -5.124032 8.921056 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=140) 0 18.440907 -1.517434 11.516818 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=140) 0 19.186730 -0.625949 11.091821 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=141) 0 18.617202 -2.033594 12.744726 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=141) 0 17.693802 -2.902303 13.462263 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=141) 0 17.631243 -3.888378 12.999629 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=141) 0 16.709725 -2.434948 13.489903 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=141) 0 18.242714 -3.020802 14.885612 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=141) 0 18.870746 -3.907218 14.967616 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=141) 0 17.443263 -3.046192 15.626883 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=141) 0 19.119969 -1.783768 15.039237 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=141) 0 19.893748 -1.933887 15.792667 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=141) 0 18.498880 -0.923813 15.295821 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=141) 0 19.694231 -1.599442 13.632368 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=141) 0 19.907595 -0.543191 13.479348 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=141) 0 21.007015 -2.376602 13.429084 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=141) 0 22.047583 -1.929779 13.918365 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=142) 0 20.976817 -3.520994 12.735189 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=142) 0 20.089817 -3.828102 12.364007 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=142) 0 22.083130 -4.482589 12.657980 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=142) 0 23.023221 -3.942383 12.775686 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=142) 0 21.962061 -5.458589 13.834686 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=142) 0 22.916893 -5.971580 13.959462 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=142) 0 21.759210 -4.911559 14.757432 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=142) 0 20.868908 -6.495600 13.591504 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=142) 0 21.196197 -7.567283 13.036275 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=142) 0 19.696569 -6.262962 13.957029 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=142) 0 22.156630 -5.257697 11.320628 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=142) 0 21.204421 -5.300113 10.535322 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=143) 0 23.306754 -5.892401 11.069085 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=143) 0 24.049419 -5.843779 11.761399 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=143) 0 23.605093 -6.610327 9.828130 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=143) 0 23.356746 -5.973645 8.980270 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=143) 0 24.676998 -6.804607 9.805352 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=143) 0 22.891754 -7.955777 9.641425 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=143) 0 22.735892 -8.385544 8.494919 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=144) 0 22.433942 -8.615793 10.710182 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=144) 0 22.487782 -8.171610 11.620121 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=144) 0 21.697631 -9.879772 10.622465 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=144) 0 22.165385 -10.503992 9.865873 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=144) 0 21.795093 -10.654234 11.939557 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=144) 0 21.281124 -10.122817 12.739339 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=144) 0 21.331233 -11.634026 11.818457 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=144) 0 22.841106 -10.797338 12.204144 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=144) 0 20.239640 -9.631701 10.216102 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=144) 0 19.695407 -10.349050 9.372485 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=145) 0 19.617589 -8.577192 10.752067 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=145) 0 20.097287 -8.051924 11.481860 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=145) 0 18.313621 -8.111745 10.284686 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=145) 0 17.592370 -8.924908 10.384030 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=145) 0 17.860234 -6.952756 11.180677 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=145) 0 18.565130 -6.122445 11.116422 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=145) 0 16.871582 -6.613319 10.871035 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=145) 0 17.801807 -7.288197 12.216625 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=145) 0 18.371509 -7.718047 8.794652 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=145) 0 17.507934 -8.121545 8.014034 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=146) 0 19.430294 -7.009427 8.379117 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=146) 0 20.088159 -6.680831 9.076430 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=146) 0 19.633040 -6.596801 6.989627 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=146) 0 18.786249 -5.979209 6.690275 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=146) 0 20.905876 -5.743686 6.919500 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=146) 0 21.772575 -6.332702 7.213637 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=146) 0 21.060451 -5.394403 5.899443 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=146) 0 20.811769 -4.884807 7.584384 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=146) 0 19.682334 -7.780664 6.005134 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=146) 0 18.933453 -7.797640 5.028170 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=147) 0 20.494890 -8.809032 6.270747 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=147) 0 21.096556 -8.760943 7.084739 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=147) 0 20.604759 -9.957376 5.355295 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=147) 0 20.780926 -9.569741 4.351183 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=147) 0 21.805832 -10.840571 5.707043 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=147) 0 21.880769 -11.630621 4.958697 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=147) 0 22.713264 -10.239746 5.665921 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=147) 0 21.695260 -11.473953 7.094618 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=147) 0 21.924365 -10.712781 7.830502 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=147) 0 20.685505 -11.835756 7.277566 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=147) 0 22.648307 -12.646013 7.253035 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=147) 0 22.167617 -13.801248 7.237436 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=147) 0 23.868316 -12.416968 7.413916 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=147) 0 19.332496 -10.816221 5.278601 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=147) 0 19.104580 -11.470884 4.261833 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=148) 0 18.496272 -10.825250 6.323684 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=148) 0 18.755024 -10.298966 7.151081 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=148) 0 17.233851 -11.574814 6.329231 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=148) 0 17.360640 -12.461244 5.708726 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=148) 0 16.906782 -12.067916 7.735094 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=148) 0 17.805680 -12.479771 8.195221 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=148) 0 16.536127 -11.240382 8.342279 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=148) 0 15.930824 -13.087973 7.640231 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=148) 0 16.407955 -13.950276 7.630148 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=148) 0 16.075916 -10.767073 5.735612 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=148) 0 15.107654 -11.345286 5.232232 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=149) 0 16.179335 -9.434548 5.705867 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=149) 0 16.938341 -8.991760 6.215778 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=149) 0 15.348740 -8.593484 4.844508 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=149) 0 14.307422 -8.890480 4.973225 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=149) 0 15.472730 -7.129465 5.295388 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=149) 0 15.265634 -7.107753 6.366671 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=149) 0 16.491254 -6.768076 5.151844 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=149) 0 14.477988 -6.195842 4.577222 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=149) 0 13.569373 -6.746360 4.332511 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=149) 0 14.098615 -5.050320 5.506850 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=149) 0 14.965280 -4.436245 5.731325 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=149) 0 13.331744 -4.444616 5.029739 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=149) 0 13.684716 -5.448802 6.432666 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=149) 0 15.055982 -5.585875 3.297089 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=149) 0 15.261505 -6.357727 2.560221 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=149) 0 14.332577 -4.897016 2.862380 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=149) 0 15.973367 -5.041500 3.516495 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=149) 0 15.712436 -8.828118 3.372417 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=149) 0 14.823754 -9.129740 2.575349 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=150) 0 17.007478 -8.822927 3.034507 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=150) 0 17.683802 -8.542194 3.740283 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=150) 0 17.506398 -9.178355 1.690905 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=150) 0 17.047416 -8.505262 0.974412 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=150) 0 19.035492 -8.982724 1.608812 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=150) 0 19.504710 -9.456859 2.468744 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=150) 0 19.662267 -9.577303 0.341815 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=150) 0 19.118220 -9.235392 -0.537941 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=150) 0 20.707414 -9.276868 0.263504 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=150) 0 19.626712 -10.665974 0.381064 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=150) 0 19.365331 -7.485938 1.632479 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=150) 0 18.971877 -7.030831 2.537316 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=150) 0 20.446099 -7.339950 1.618259 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=150) 0 18.923618 -6.989918 0.769010 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=150) 0 17.089523 -10.592407 1.271347 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=150) 0 16.799461 -10.826984 0.100933 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=151) 0 16.980974 -11.531331 2.211396 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=151) 0 17.359760 -11.328767 3.129075 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=151) 0 16.514007 -12.892248 1.931749 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=151) 0 17.059246 -13.252002 1.059222 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=151) 0 16.844999 -13.784921 3.138984 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=151) 0 17.786660 -13.464283 3.566198 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=151) 0 16.083534 -13.654426 3.905795 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=151) 0 16.973368 -15.274611 2.804191 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=151) 0 17.205951 -15.817016 3.720561 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=151) 0 16.021058 -15.646966 2.424267 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=151) 0 18.085439 -15.531779 1.785779 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=151) 0 19.242248 -15.113855 2.024042 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=151) 0 17.793382 -16.117989 0.715544 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=151) 0 15.012066 -12.983445 1.609725 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=151) 0 14.587784 -13.944127 0.965153 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=152) 0 14.192682 -12.018184 2.041473 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=152) 0 14.611957 -11.218327 2.500829 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=152) 0 12.721698 -12.147527 2.059212 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=152) 0 12.513140 -13.158532 2.401606 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=152) 0 12.107396 -11.236491 3.125578 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=152) 0 11.037201 -11.438410 3.194895 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=152) 0 12.557012 -11.475988 4.088785 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=152) 0 12.296718 -9.858827 2.860778 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=152) 0 13.235015 -9.675098 2.645591 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=152) 0 12.016719 -12.020520 0.692594 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=152) 0 10.798544 -12.194455 0.596894 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=153) 0 12.776728 -11.774506 -0.374283 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=153) 0 13.770889 -11.663618 -0.221096 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=153) 0 12.337610 -11.724138 -1.775248 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=153) 0 11.594612 -12.494828 -1.967834 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=153) 0 11.713059 -10.347441 -2.018170 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=153) 0 10.749019 -10.295985 -1.509775 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=153) 0 12.379820 -9.614192 -1.569950 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=153) 0 11.549102 -9.980866 -3.374327 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=153) 0 12.089799 -9.166426 -3.466202 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=153) 0 13.548657 -11.960349 -2.684456 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=153) 0 14.684871 -11.717745 -2.274197 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=154) 0 13.350195 -12.391250 -3.931656 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=154) 0 12.402478 -12.584777 -4.240595 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=154) 0 14.447332 -12.556178 -4.910651 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=154) 0 15.227539 -13.163894 -4.458192 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=154) 0 13.941269 -13.297096 -6.150533 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=154) 0 13.132322 -12.725895 -6.605325 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=154) 0 14.750007 -13.381983 -6.877905 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=154) 0 13.462991 -14.705847 -5.793813 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=154) 0 14.322524 -15.302687 -5.485761 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=154) 0 12.756110 -14.674597 -4.963216 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=154) 0 12.770418 -15.342568 -6.988734 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=154) 0 13.404876 -16.154516 -7.701419 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=154) 0 11.569429 -15.055854 -7.209450 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=154) 0 15.103619 -11.226415 -5.325706 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=154) 0 16.154476 -11.225605 -5.966771 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=155) 0 14.483169 -10.114555 -4.922576 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=155) 0 13.609202 -10.263978 -4.439412 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=155) 0 14.902038 -8.716037 -5.062206 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=155) 0 15.973491 -8.659350 -5.244754 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=155) 0 14.140895 -8.068782 -6.233698 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=155) 0 13.071385 -8.199598 -6.066682 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=155) 0 14.412126 -6.565684 -6.330444 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=155) 0 15.476063 -6.382492 -6.481935 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=155) 0 13.826450 -6.165113 -7.150865 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=155) 0 14.082588 -6.052392 -5.428846 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=155) 0 14.493199 -8.716138 -7.580970 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=155) 0 14.267393 -9.781338 -7.558208 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=155) 0 13.883061 -8.279737 -8.369843 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=155) 0 15.550084 -8.580672 -7.803886 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=155) 0 14.560187 -7.972795 -3.764803 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=155) 0 13.442382 -8.121791 -3.271166 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=156) 0 15.466099 -7.146415 -3.240814 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=156) 0 16.355862 -7.054588 -3.723845 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=156) 0 15.281991 -6.314795 -2.043117 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=156) 0 14.231420 -6.056251 -1.924419 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=156) 0 15.710859 -7.135669 -0.824064 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=156) 0 16.762172 -7.406014 -0.923685 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=156) 0 15.567112 -6.551709 0.085538 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=156) 0 15.109189 -8.043532 -0.756985 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=156) 0 16.084842 -5.000348 -2.141921 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=156) 0 16.969463 -4.876502 -2.987595 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=157) 0 15.825149 -4.011257 -1.280442 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=157) 0 15.071394 -4.134743 -0.606174 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=157) 0 16.586406 -2.741415 -1.252869 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=157) 0 17.559873 -2.904225 -1.711132 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=157) 0 15.867317 -1.627581 -2.051961 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=157) 0 14.963113 -1.337572 -1.517821 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=157) 0 16.760931 -0.393905 -2.220604 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=157) 0 17.664779 -0.658951 -2.768711 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=157) 0 16.223720 0.378169 -2.771472 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=157) 0 17.037986 0.006479 -1.248448 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=157) 0 15.474132 -2.039853 -3.477388 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=157) 0 14.768854 -2.863531 -3.439032 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=157) 0 14.987880 -1.208276 -3.987765 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=157) 0 16.354697 -2.350183 -4.037677 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=157) 0 16.835076 -2.285731 0.187555 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=157) 0 15.937672 -2.369906 1.020021 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=158) 0 18.025312 -1.760059 0.496789 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=158) 0 18.734707 -1.708601 -0.229506 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=158) 0 18.313754 -1.105593 1.785035 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=158) 0 17.374587 -0.990802 2.312452 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=158) 0 19.216359 -1.968650 2.700700 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=158) 0 20.156603 -2.156984 2.184625 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=158) 0 19.522477 -1.221351 4.017960 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=158) 0 18.599036 -0.999699 4.552313 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=158) 0 20.179302 -1.809641 4.655473 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=158) 0 20.049061 -0.287735 3.821608 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=158) 0 18.533504 -3.325115 3.001606 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=158) 0 17.601724 -3.143757 3.538620 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=158) 0 18.288862 -3.825611 2.065070 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=158) 0 19.384503 -4.308601 3.811391 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=158) 0 18.825551 -5.233237 3.945525 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=158) 0 20.314361 -4.521789 3.282827 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=158) 0 19.606166 -3.906367 4.796401 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=158) 0 18.866885 0.306709 1.562132 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=158) 0 19.775325 0.506869 0.757011 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=159) 0 18.321527 1.282672 2.288134 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=159) 0 17.554053 1.030853 2.902908 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=159) 0 18.823327 2.652839 2.379827 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=159) 0 19.387697 2.902728 1.483102 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=159) 0 17.990445 3.348244 2.457993 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=159) 0 19.716417 2.837830 3.603860 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=159) 0 19.374977 2.406112 4.703401 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=160) 0 20.852029 3.493942 3.409944 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=160) 0 21.020741 3.887496 2.490405 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=160) 0 21.919795 3.681367 4.384411 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=160) 0 21.664930 3.202554 5.330271 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=160) 0 23.202928 3.032811 3.840554 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=160) 0 23.461564 3.489594 2.883615 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=160) 0 24.021640 3.243322 4.525490 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=160) 0 23.107161 1.532587 3.649088 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=160) 0 22.565746 1.006080 2.462475 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=160) 0 22.208279 1.669841 1.688666 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=160) 0 22.471340 -0.383551 2.287599 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=160) 0 22.019240 -0.775889 1.393296 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=160) 0 22.938623 -1.256565 3.282319 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=160) 0 22.864194 -2.326208 3.143522 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=160) 0 23.488246 -0.731947 4.463205 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=160) 0 23.849253 -1.397821 5.227610 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=160) 0 23.564368 0.658615 4.651697 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=160) 0 23.978238 1.056336 5.565271 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=160) 0 22.077809 5.180633 4.626881 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=160) 0 22.745425 5.873799 3.859499 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=161) 0 21.420698 5.682520 5.672149 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=161) 0 20.933886 5.041072 6.291318 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=161) 0 21.345448 7.106800 5.985309 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=161) 0 22.143294 7.634803 5.466766 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=161) 0 20.018024 7.687968 5.490638 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=161) 0 19.188318 7.185196 5.990661 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=161) 0 19.992950 8.740228 5.774022 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=161) 0 19.840371 7.588508 3.990840 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=161) 0 20.596553 8.419240 3.144220 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=161) 0 21.274997 9.145251 3.566960 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=161) 0 20.506187 8.276292 1.750706 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=161) 0 21.123183 8.886253 1.104880 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=161) 0 19.634473 7.320137 1.204886 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=161) 0 19.574279 7.200745 0.136764 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=161) 0 18.862691 6.500911 2.046886 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=161) 0 18.203532 5.760001 1.622736 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=161) 0 18.971572 6.627757 3.441355 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=161) 0 18.400470 5.979744 4.089878 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=161) 0 21.520240 7.332332 7.482822 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=161) 0 20.589053 7.149299 8.266768 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=162) 0 22.722926 7.751169 7.883984 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=162) 0 23.425878 7.921630 7.163858 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=162) 0 23.053151 8.079420 9.276919 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=162) 0 22.857564 7.211599 9.905449 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=162) 0 24.554081 8.387174 9.341316 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=162) 0 25.107625 7.509783 9.000599 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=162) 0 24.779236 9.219238 8.670964 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=162) 0 25.013750 8.747284 10.758356 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=162) 0 24.527451 9.676157 11.049826 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=162) 0 24.714125 7.966126 11.458923 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=162) 0 26.540135 8.910226 10.806680 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=162) 0 26.984464 7.936967 11.014511 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=162) 0 26.915906 9.244975 9.840003 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=162) 0 26.987145 9.913784 11.873436 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=162) 0 26.606473 9.602740 12.851113 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=162) 0 28.079530 9.906356 11.920547 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=162) 0 26.512478 11.280800 11.552779 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=162) 0 25.503420 11.353080 11.655278 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=162) 0 26.907966 11.971134 12.184781 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=162) 0 26.727573 11.545574 10.593678 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=162) 0 22.171505 9.214726 9.816005 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=162) 0 21.816575 9.205986 10.993750 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=163) 0 21.755710 10.140384 8.953327 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=163) 0 22.123759 10.107027 8.008943 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=163) 0 20.716801 11.131069 9.217654 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=163) 0 20.501005 11.142497 10.286224 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=163) 0 21.234490 12.523496 8.842038 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=163) 0 22.275363 12.615300 9.158964 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=163) 0 21.197093 12.677999 7.763640 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=163) 0 20.406940 13.577282 9.562663 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=163) 0 19.181508 13.668068 9.338479 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=163) 0 20.967529 14.211196 10.485820 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=163) 0 19.415885 10.768698 8.482600 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=163) 0 19.252353 11.035903 7.290357 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=164) 0 18.473735 10.146893 9.190690 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=164) 0 18.641807 9.981205 10.172729 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=164) 0 17.222395 9.641576 8.601433 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=164) 0 17.479124 9.273268 7.612590 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=164) 0 16.727275 8.404105 9.375278 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=164) 0 17.518928 7.654703 9.332063 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=164) 0 16.462585 8.707768 10.846071 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=164) 0 15.729692 9.509651 10.935116 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=164) 0 16.088917 7.814054 11.341740 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=164) 0 17.391259 8.994228 11.331348 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=164) 0 15.475313 7.768772 8.768392 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=164) 0 15.611369 7.650210 7.696067 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=164) 0 15.305007 6.790980 9.220630 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=164) 0 14.606992 8.397658 8.953087 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=164) 0 16.159854 10.734603 8.372655 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=164) 0 15.240865 10.542891 7.576494 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=165) 0 16.300569 11.919676 8.974013 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=165) 0 17.047171 12.021471 9.653020 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=165) 0 15.500482 13.115095 8.642355 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=165) 0 14.491389 12.799090 8.381171 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=165) 0 15.388549 14.052094 9.862374 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=165) 0 16.274308 13.973799 10.489870 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=165) 0 15.336037 15.084604 9.514873 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=165) 0 14.128021 13.805855 10.700750 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=165) 0 14.078302 14.570215 11.479041 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=165) 0 13.252701 13.931469 10.061816 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=165) 0 14.083854 12.421774 11.350370 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=165) 0 14.454831 12.298432 12.541912 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=165) 0 13.606824 11.462219 10.701497 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=165) 0 16.011759 13.881600 7.405717 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=165) 0 15.304942 14.764311 6.900940 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=166) 0 17.202469 13.558638 6.890543 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=166) 0 17.758790 12.867968 7.380314 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=166) 0 17.770089 14.187757 5.689126 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=166) 0 17.781420 15.264343 5.859489 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=166) 0 19.223853 13.751692 5.473114 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=166) 0 19.665737 14.374024 4.693744 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=166) 0 19.788748 13.902981 6.393588 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=166) 0 19.313022 12.396278 5.072265 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=166) 0 19.210735 11.845392 5.884020 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=166) 0 16.947075 13.933336 4.418161 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=166) 0 16.208559 12.949188 4.317703 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=167) 0 17.096890 14.826412 3.432096 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=167) 0 17.655360 15.652558 3.610482 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=167) 0 16.395134 14.804359 2.140429 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=167) 0 15.367428 15.142469 2.275887 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=167) 0 17.109516 15.747908 1.154644 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=167) 0 18.172909 15.503807 1.115144 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=167) 0 16.692731 15.582685 0.159201 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=167) 0 16.956757 17.223929 1.506412 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=167) 0 17.201632 17.598629 2.676947 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=167) 0 16.553399 18.003186 0.617798 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=167) 0 16.358954 13.405486 1.521531 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=167) 0 15.286473 12.871569 1.244781 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=168) 0 17.538592 12.805132 1.363222 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=168) 0 18.361506 13.333853 1.613182 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=168) 0 17.762413 11.516642 0.710181 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=168) 0 17.337876 11.542377 -0.292616 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=168) 0 19.267874 11.311129 0.588594 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=168) 0 19.729113 11.337039 1.577940 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=168) 0 19.470491 10.342446 0.133872 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=168) 0 19.806039 12.344218 -0.216492 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=168) 0 20.761313 12.130997 -0.319164 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=168) 0 17.148606 10.334782 1.457703 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=168) 0 16.638025 9.410664 0.827954 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=169) 0 17.129494 10.374290 2.790200 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=169) 0 17.504914 11.186297 3.263405 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=169) 0 16.518227 9.328280 3.602300 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=169) 0 16.877268 8.355210 3.266303 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=169) 0 16.962598 9.549939 5.042418 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=169) 0 16.582901 10.504166 5.406146 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=169) 0 16.581395 8.740351 5.663312 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=169) 0 18.047073 9.575331 5.095011 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=169) 0 14.987537 9.337453 3.487143 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=169) 0 14.356392 8.289965 3.326849 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=170) 0 14.385376 10.531560 3.498772 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=170) 0 14.966576 11.353832 3.650882 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=170) 0 12.939495 10.713512 3.317791 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=170) 0 12.418662 9.940265 3.878215 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=170) 0 12.540030 12.074412 3.903377 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=170) 0 13.192285 12.835167 3.474444 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=170) 0 11.520506 12.311920 3.611361 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=170) 0 12.633329 12.132890 5.443602 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=170) 0 13.607143 11.767989 5.769888 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=170) 0 12.551769 13.175949 5.745560 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=170) 0 11.513390 11.356285 6.160844 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=170) 0 10.554574 11.762742 5.834087 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=170) 0 11.541118 10.300837 5.896760 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=170) 0 11.607954 11.519694 7.685759 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=170) 0 11.871794 12.558327 7.904379 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=170) 0 10.627285 11.337183 8.134026 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=170) 0 12.601802 10.611945 8.304714 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=170) 0 13.475519 10.576888 7.788445 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=170) 0 12.857031 10.945118 9.235578 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=170) 0 12.253443 9.667517 8.446308 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=170) 0 12.502652 10.516332 1.858256 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=170) 0 11.422543 9.971536 1.635812 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=171) 0 13.359552 10.825505 0.881131 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=171) 0 14.191165 11.348262 1.134292 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=171) 0 13.202906 10.424880 -0.527351 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=171) 0 12.250135 10.790485 -0.911265 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=171) 0 14.349706 11.013946 -1.362206 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=171) 0 15.284865 10.862575 -0.830086 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=171) 0 14.428795 10.467098 -2.301492 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=171) 0 14.198946 12.508336 -1.668854 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=171) 0 13.818728 13.034143 -0.800983 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=171) 0 15.186220 12.910338 -1.891762 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=171) 0 13.282511 12.802245 -2.846105 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=171) 0 12.424511 12.020784 -3.236493 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=171) 0 13.465440 13.918911 -3.496247 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=171) 0 12.829381 14.150486 -4.248387 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=171) 0 14.162555 14.582456 -3.167231 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=171) 0 13.225060 8.901047 -0.696978 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=171) 0 12.411207 8.342451 -1.430783 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=172) 0 14.131583 8.214740 0.002650 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=172) 0 14.837928 8.724752 0.523384 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=172) 0 14.217264 6.758325 -0.015949 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=172) 0 14.214565 6.429121 -1.048567 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=172) 0 15.540069 6.323156 0.618004 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=172) 0 16.365129 6.638181 -0.022370 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=172) 0 15.662393 6.815676 1.582429 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=172) 0 15.608215 4.829522 0.819187 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=172) 0 15.803307 3.977633 -0.280736 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=172) 0 15.955093 4.389433 -1.265108 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=172) 0 15.767484 2.586807 -0.105316 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=172) 0 15.895155 1.936684 -0.954569 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=172) 0 15.531437 2.045526 1.168107 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=172) 0 15.499061 0.972892 1.305165 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=172) 0 15.318690 2.898419 2.262347 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=172) 0 15.118798 2.482694 3.234131 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=172) 0 15.361734 4.289375 2.091713 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=172) 0 15.177815 4.944004 2.929728 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=172) 0 12.997872 6.089462 0.629972 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=172) 0 12.439326 5.158056 0.048992 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=173) 0 12.510099 6.618633 1.756447 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=173) 0 13.047688 7.343184 2.221913 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=173) 0 11.203239 6.243248 2.303640 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=173) 0 11.210250 5.173885 2.517716 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=173) 0 10.955100 7.018356 3.611677 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=173) 0 11.307676 8.040308 3.487727 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=173) 0 9.883125 7.066789 3.810996 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=173) 0 11.656681 6.365803 4.818006 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=173) 0 12.624190 5.970955 4.509339 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=173) 0 11.890642 7.380269 5.936400 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=173) 0 10.943333 7.822162 6.244885 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=173) 0 12.353202 6.882798 6.789667 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=173) 0 12.569802 8.154307 5.581524 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=173) 0 10.806135 5.222665 5.377355 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=173) 0 10.591588 4.497190 4.595431 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=173) 0 11.344602 4.728350 6.186603 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=173) 0 9.864371 5.611841 5.764249 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=173) 0 10.087435 6.469435 1.270485 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=173) 0 9.290296 5.567222 1.041139 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=174) 0 10.076830 7.600142 0.559871 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=174) 0 10.741946 8.328125 0.794611 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=174) 0 9.106848 7.861711 -0.510076 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=174) 0 8.117331 7.695462 -0.084859 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=174) 0 9.210646 9.336018 -0.953348 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=174) 0 10.192066 9.734971 -0.703563 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=174) 0 9.105212 9.408535 -2.032291 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=174) 0 8.134041 10.218118 -0.305856 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=174) 0 8.136490 10.069211 0.773763 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=174) 0 8.364112 11.264228 -0.505430 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=174) 0 6.746549 9.907122 -0.855950 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=174) 0 6.012146 9.073573 -0.341638 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=174) 0 6.339221 10.490908 -1.958587 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=174) 0 5.399054 10.301162 -2.290358 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=174) 0 6.912773 11.182239 -2.436100 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=174) 0 9.202126 6.891023 -1.706985 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=174) 0 8.181840 6.652447 -2.356595 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=175) 0 10.362734 6.287665 -1.984236 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=175) 0 11.183052 6.567229 -1.459653 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=175) 0 10.497337 5.204143 -2.964991 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=175) 0 9.909650 5.450310 -3.849395 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=175) 0 11.963404 5.091917 -3.390670 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=175) 0 12.570549 4.743413 -2.555548 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=175) 0 12.048490 4.380844 -4.213351 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=175) 0 12.328355 6.062790 -3.718052 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=175) 0 9.964936 3.862820 -2.431415 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=175) 0 9.186714 3.195525 -3.114429 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=176) 0 10.320332 3.501017 -1.194349 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=176) 0 10.968587 4.092955 -0.685138 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=176) 0 9.813260 2.302849 -0.522928 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=176) 0 10.117864 1.420462 -1.083431 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=176) 0 10.429718 2.253403 0.880574 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=176) 0 10.081181 3.093372 1.480451 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=176) 0 10.135297 1.325548 1.367472 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=176) 0 11.516220 2.298051 0.813145 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=176) 0 8.278895 2.303496 -0.448338 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=176) 0 7.613701 1.324644 -0.771943 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=177) 0 7.706440 3.452477 -0.095208 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=177) 0 8.323603 4.212733 0.178907 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=177) 0 6.266404 3.682255 0.018779 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=177) 0 5.833096 2.850218 0.572434 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=177) 0 6.070840 4.979300 0.831314 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=177) 0 6.657817 5.768153 0.359130 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=177) 0 5.040161 5.311856 0.787588 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=177) 0 6.499222 4.870602 2.312844 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=177) 0 7.522977 4.506673 2.378137 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=177) 0 6.481592 5.876157 2.738174 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=177) 0 5.639798 3.961290 3.198533 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=177) 0 4.722038 3.254407 2.725039 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=177) 0 5.851004 3.941795 4.433076 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=177) 0 5.527329 3.698149 -1.341154 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=177) 0 4.301408 3.836767 -1.368675 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=178) 0 6.239793 3.528977 -2.463430 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=178) 0 7.244443 3.438259 -2.368630 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=178) 0 5.685425 3.366462 -3.811960 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=178) 0 4.615809 3.581621 -3.789836 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=178) 0 6.345292 4.412382 -4.715277 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=178) 0 7.425920 4.272967 -4.730167 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=178) 0 5.963310 4.321451 -5.732360 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=178) 0 6.110629 5.403761 -4.333930 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=178) 0 5.833035 1.935998 -4.380834 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=178) 0 5.029240 1.534135 -5.232301 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=179) 0 6.791800 1.135363 -3.894965 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=179) 0 7.408122 1.507008 -3.180306 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=179) 0 6.984124 -0.278018 -4.274365 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=179) 0 6.116586 -0.609132 -4.841463 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=179) 0 8.205679 -0.472276 -5.213520 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=179) 0 9.109690 -0.193066 -4.673553 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=179) 0 8.327713 -1.940460 -5.671928 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=179) 0 7.542154 -2.174016 -6.387147 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=179) 0 9.291720 -2.103761 -6.145826 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=179) 0 8.261662 -2.633054 -4.838598 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=179) 0 8.097121 0.423950 -6.471230 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=179) 0 7.134871 0.254222 -6.954438 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=179) 0 8.137359 1.467456 -6.162022 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=179) 0 9.201455 0.203116 -7.516497 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=179) 0 9.128784 -0.790259 -7.956901 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=179) 0 9.087206 0.921871 -8.323471 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=179) 0 10.178302 0.335150 -7.054170 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=179) 0 7.003879 -1.159190 -3.013753 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=179) 0 8.027772 -1.689159 -2.597704 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=180) 0 5.822356 -1.374517 -2.435091 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=180) 0 5.014937 -0.888742 -2.807036 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=180) 0 5.588604 -2.378791 -1.384922 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=180) 0 6.301979 -2.216395 -0.574198 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=180) 0 4.169447 -2.132294 -0.855606 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=180) 0 4.131988 -1.107996 -0.488033 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=180) 0 3.458007 -2.209059 -1.677175 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=180) 0 3.725561 -3.073642 0.264268 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=180) 0 4.058561 -2.801085 1.439903 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=180) 0 2.954219 -4.016802 -0.022047 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=180) 0 5.786781 -3.823867 -1.898602 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=180) 0 5.887113 -4.768885 -1.116769 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=181) 0 5.870228 -4.002092 -3.220279 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=181) 0 5.751427 -3.179209 -3.799839 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=181) 0 6.143594 -5.255197 -3.931559 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=181) 0 5.693559 -6.052519 -3.358465 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=181) 0 5.398918 -5.292990 -5.282139 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=181) 0 5.737226 -6.159106 -5.852081 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=181) 0 4.340873 -5.454407 -5.070602 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=181) 0 5.495128 -4.034507 -6.152392 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=181) 0 5.132812 -2.927742 -5.681049 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=181) 0 5.802748 -4.167205 -7.359645 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=181) 0 7.634507 -5.651327 -3.964482 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=181) 0 8.008620 -6.649683 -4.586418 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=182) 0 8.477965 -4.930363 -3.222545 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=182) 0 8.097864 -4.128168 -2.729199 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=182) 0 9.860093 -5.282678 -2.873730 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=182) 0 10.040048 -6.328398 -3.110733 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=182) 0 10.842401 -4.417283 -3.704521 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=182) 0 10.589769 -3.370379 -3.546928 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=182) 0 12.294399 -4.630384 -3.254755 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=182) 0 12.554408 -5.681581 -3.355077 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=182) 0 12.968242 -4.035248 -3.861930 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=182) 0 12.425546 -4.305200 -2.224271 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=182) 0 10.722723 -4.722705 -5.216566 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=182) 0 10.979247 -5.768586 -5.382979 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=182) 0 9.690799 -4.579215 -5.532179 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=182) 0 11.592759 -3.843019 -6.129834 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=182) 0 12.639304 -4.134398 -6.060667 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=182) 0 11.270116 -3.967050 -7.163914 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=182) 0 11.492226 -2.794558 -5.849374 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=182) 0 10.032722 -5.070614 -1.351731 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=182) 0 9.478412 -4.106480 -0.822827 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=183) 0 10.808461 -5.894843 -0.617534 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=183) 0 11.283829 -7.220220 -0.943081 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=183) 0 12.294379 -7.146778 -1.339052 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=183) 0 10.629844 -7.733489 -1.641470 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=183) 0 11.310765 -7.955949 0.395189 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=183) 0 12.002230 -8.795919 0.390435 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=183) 0 10.305372 -8.283192 0.663019 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=183) 0 11.777324 -6.870620 1.357431 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=183) 0 12.868052 -6.845422 1.362522 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=183) 0 11.402924 -7.044703 2.366195 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=183) 0 11.196851 -5.584340 0.752546 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=183) 0 10.307945 -5.301413 1.317002 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=183) 0 12.209405 -4.438833 0.753271 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=183) 0 13.325398 -4.574482 0.238990 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=184) 0 11.821186 -3.317116 1.350116 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=184) 0 10.893533 -3.294943 1.755915 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=184) 0 12.708033 -2.189382 1.613464 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=184) 0 13.600558 -2.285298 1.002642 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=184) 0 12.039343 -0.865337 1.226193 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=184) 0 11.005301 -0.878631 1.565375 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=184) 0 12.543121 -0.059481 1.761222 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=184) 0 12.055530 -0.522454 -0.252207 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=184) 0 11.154639 -1.136684 -1.136873 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=184) 0 10.465788 -1.885469 -0.778310 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=184) 0 11.102564 -0.733498 -2.480713 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=184) 0 10.390295 -1.193646 -3.144856 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=184) 0 11.927015 0.301930 -2.944744 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=184) 0 11.827490 0.645882 -3.961218 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=184) 0 12.841494 0.911421 -2.071649 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=184) 0 13.467352 1.720684 -2.418189 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=184) 0 12.903119 0.493781 -0.731102 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=184) 0 13.564013 0.995295 -0.050128 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=184) 0 13.127748 -2.191536 3.086043 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=184) 0 12.303529 -2.412626 3.971848 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=185) 0 14.393714 -1.882989 3.357262 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=185) 0 15.029323 -1.784470 2.571537 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=185) 0 14.920492 -1.612520 4.695634 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=185) 0 14.112465 -1.645840 5.420797 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=185) 0 15.647590 -2.376462 4.961278 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=185) 0 15.606630 -0.249825 4.775556 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=185) 0 16.080718 0.259105 3.764605 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=186) 0 15.697035 0.348512 5.960552 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=186) 0 15.270237 -0.107105 6.763858 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=186) 0 16.464023 1.580821 6.203433 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=186) 0 17.132657 1.730071 5.358300 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=186) 0 15.538686 2.817259 6.275018 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=186) 0 14.897721 2.790245 5.398361 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=186) 0 14.615709 2.799881 7.505136 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=186) 0 15.189261 2.943027 8.421541 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=186) 0 13.875585 3.594984 7.427675 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=186) 0 14.081359 1.851939 7.561596 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=186) 0 16.362577 4.119768 6.181402 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=186) 0 16.953225 4.254011 7.088548 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=186) 0 17.046825 4.042779 5.335257 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=186) 0 15.499238 5.368462 5.969825 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=186) 0 14.897478 5.565049 6.855882 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=186) 0 16.145254 6.225746 5.780342 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=186) 0 14.837666 5.226990 5.117775 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=186) 0 17.344611 1.427576 7.441975 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=186) 0 16.927134 0.822269 8.425792 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=187) 0 18.561881 1.965222 7.411593 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=187) 0 18.886777 2.396332 6.550161 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=187) 0 19.481206 1.935162 8.553119 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=187) 0 18.892633 1.776078 9.454395 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=187) 0 20.459684 0.757060 8.442314 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=187) 0 19.884995 -0.150681 8.269566 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=187) 0 21.480993 0.880955 7.311620 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=187) 0 22.232808 1.630660 7.556797 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=187) 0 21.963857 -0.079132 7.154116 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=187) 0 20.980725 1.155357 6.384790 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=187) 0 21.150122 0.615462 9.661984 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=187) 0 20.546902 0.127179 10.251220 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=187) 0 20.227188 3.251418 8.733755 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=187) 0 20.696338 3.848910 7.763303 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=188) 0 20.379035 3.667664 9.991810 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=188) 0 19.904718 3.148506 10.724969 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=188) 0 21.243923 4.777234 10.407479 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=188) 0 21.659038 5.235255 9.512096 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=188) 0 20.427288 5.869736 11.113416 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=188) 0 21.076099 6.719012 11.326030 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=188) 0 19.630544 6.207069 10.448984 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=188) 0 19.848882 5.419810 12.327252 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=188) 0 19.466774 6.225172 12.760386 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=188) 0 22.461587 4.320283 11.223893 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=188) 0 23.157022 5.153500 11.804879 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=189) 0 22.741351 3.009566 11.284367 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=189) 0 22.157605 2.365030 10.764684 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=189) 0 23.889281 2.457187 12.008467 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=189) 0 24.292289 3.227372 12.669339 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=189) 0 23.438583 1.294461 12.910741 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=189) 0 22.683807 1.651282 13.607008 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=189) 0 23.003408 0.502364 12.303991 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=189) 0 24.597783 0.734706 13.719966 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=189) 0 25.643478 1.351388 13.849517 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=189) 0 24.489951 -0.452115 14.259667 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=189) 0 25.337899 -0.818129 14.697754 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=189) 0 23.673120 -1.029367 14.096931 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=189) 0 25.020300 2.044209 11.051948 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=189) 0 24.833962 1.201229 10.170503 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=190) 0 26.224975 2.579810 11.263187 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=190) 0 26.364074 3.179061 12.064879 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=190) 0 27.376568 2.310273 10.400768 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=190) 0 27.021779 2.414205 9.379515 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=190) 0 28.459408 3.371652 10.573900 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=190) 0 29.250881 3.182473 9.848686 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=190) 0 28.039286 4.359123 10.376329 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=190) 0 29.002688 3.344690 11.876329 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=190) 0 29.956429 3.543341 11.770779 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=190) 0 27.949920 0.888954 10.512466 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=190) 0 28.682960 0.474860 9.614452 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=191) 0 27.555496 0.076581 11.502049 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=191) 0 27.018075 0.468886 12.267032 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=191) 0 27.790934 -1.380941 11.460063 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=191) 0 28.862381 -1.583372 11.464956 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=191) 0 27.140550 -2.073464 12.666819 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=191) 0 26.091417 -1.787355 12.713851 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=191) 0 27.160908 -3.151154 12.511121 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=191) 0 27.828591 -1.789821 13.997994 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=191) 0 29.017320 -2.156054 14.162285 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=191) 0 27.153113 -1.254558 14.905470 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=191) 0 27.183079 -2.009095 10.192592 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=191) 0 27.797613 -2.847504 9.527138 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=192) 0 25.971276 -1.577214 9.832774 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=192) 0 25.545818 -0.836790 10.379337 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=192) 0 25.204035 -2.127119 8.708263 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=192) 0 25.331715 -3.210063 8.707517 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=192) 0 23.699483 -1.826931 8.864269 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=192) 0 23.518097 -0.788480 8.596389 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=192) 0 22.863833 -2.744516 7.963505 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=192) 0 22.990124 -3.781763 8.271039 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=192) 0 21.809734 -2.476523 8.042942 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=192) 0 23.168915 -2.644544 6.925157 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=192) 0 23.212288 -2.048278 10.302091 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=192) 0 23.606475 -1.272173 10.954634 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=192) 0 22.123714 -2.001790 10.344432 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=192) 0 23.553105 -3.017896 10.654867 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=192) 0 25.752761 -1.600337 7.381822 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=192) 0 25.884080 -2.366047 6.431543 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=193) 0 26.181645 -0.331932 7.341337 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=193) 0 26.042890 0.233321 8.167361 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=193) 0 26.983366 0.220698 6.239142 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=193) 0 26.406477 0.220109 5.313546 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=193) 0 27.426872 1.655342 6.571517 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=193) 0 27.858259 1.671765 7.565993 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=193) 0 28.253065 1.883511 5.909854 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=193) 0 26.444067 2.809523 6.464522 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=193) 0 26.798323 3.927204 5.681854 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=193) 0 27.701475 3.914225 5.085740 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=193) 0 26.007844 5.087069 5.702497 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=193) 0 26.295180 5.950974 5.121310 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=193) 0 24.843990 5.130178 6.484031 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=193) 0 24.239587 6.024537 6.484388 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=193) 0 24.462498 4.009708 7.241756 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=193) 0 23.556565 4.040295 7.832779 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=193) 0 25.265653 2.854485 7.237177 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=193) 0 24.973814 2.011961 7.841508 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=193) 0 28.259582 -0.613518 6.008446 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=193) 0 28.564622 -1.001094 4.878655 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=194) 0 28.991480 -0.918901 7.087798 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=194) 0 28.681445 -0.559406 7.982630 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=194) 0 30.281002 -1.623509 7.037271 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=194) 0 30.958252 -1.074904 6.380732 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=194) 0 30.925998 -1.710029 8.423926 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=194) 0 30.312473 -2.346336 9.062843 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=194) 0 31.910928 -2.170199 8.324954 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=194) 0 31.075614 -0.440248 9.039852 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=194) 0 30.176923 -0.102154 9.249350 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=194) 0 30.146613 -3.045147 6.490384 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=194) 0 31.024243 -3.498032 5.756537 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=195) 0 29.034249 -3.743697 6.768419 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=195) 0 28.358916 -3.333593 7.405835 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=195) 0 28.754926 -5.077424 6.199572 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=195) 0 29.565733 -5.748083 6.489113 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=195) 0 27.442988 -5.621093 6.795909 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=195) 0 27.525030 -5.609086 7.884450 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=195) 0 26.608690 -4.981816 6.502734 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=195) 0 27.164270 -7.061042 6.332427 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=195) 0 26.901709 -7.056785 5.274207 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=195) 0 28.066457 -7.659963 6.467871 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=195) 0 26.024152 -7.714361 7.116899 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=195) 0 26.298770 -7.757723 8.172785 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=195) 0 25.111607 -7.126486 7.001217 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=195) 0 25.793574 -9.133103 6.585760 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=195) 0 25.393212 -9.074170 5.569121 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=195) 0 26.750299 -9.660735 6.544184 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=195) 0 24.861247 -9.875044 7.456957 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=195) 0 23.971429 -9.396810 7.549784 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=195) 0 24.682316 -10.823908 7.130207 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=195) 0 25.225859 -9.971258 8.403225 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=195) 0 28.733681 -5.076730 4.662658 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=195) 0 29.049662 -6.093592 4.046197 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=196) 0 28.438475 -3.931914 4.044382 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=196) 0 28.197316 -3.136057 4.621084 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=196) 0 28.372989 -3.757147 2.590851 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=196) 0 28.619520 -4.710824 2.124553 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=196) 0 26.920677 -3.446683 2.190709 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=196) 0 26.642632 -2.467820 2.585024 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=196) 0 26.844276 -3.405432 1.103923 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=196) 0 25.949779 -4.500273 2.702949 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=196) 0 25.996961 -5.809474 2.184279 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=196) 0 26.679520 -6.050143 1.380764 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=196) 0 25.192400 -6.821937 2.742333 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=196) 0 25.251014 -7.829427 2.359730 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=196) 0 24.330816 -6.529155 3.821826 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=196) 0 23.595850 -7.515629 4.400838 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=196) 0 23.756828 -8.377088 3.968877 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=196) 0 24.270013 -5.214093 4.328723 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=196) 0 23.618991 -4.996417 5.161099 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=196) 0 25.081266 -4.205610 3.771724 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=196) 0 25.065581 -3.209576 4.190138 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=196) 0 29.428908 -2.777568 2.043475 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=196) 0 29.287165 -2.296644 0.917167 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=197) 0 30.519909 -2.546449 2.788205 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=197) 0 30.574447 -2.996040 3.695030 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=197) 0 31.660372 -1.692490 2.408309 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=197) 0 32.334202 -1.685974 3.265232 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=197) 0 32.444208 -2.304521 1.223300 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=197) 0 31.803810 -2.340893 0.342200 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=197) 0 33.283023 -1.652585 0.979047 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=197) 0 33.003633 -3.710405 1.478472 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=197) 0 32.190269 -4.397963 1.701619 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=197) 0 33.497984 -4.054457 0.572863 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=197) 0 34.013737 -3.734596 2.615893 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=197) 0 33.831035 -4.389462 3.632026 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=197) 0 35.105602 -3.021152 2.509598 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=197) 0 35.765805 -3.034397 3.274225 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=197) 0 35.313773 -2.524618 1.649550 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=197) 0 31.314105 -0.206914 2.178193 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=197) 0 31.963388 0.465213 1.375474 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=198) 0 30.287553 0.327061 2.846713 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=198) 0 29.785388 -0.243545 3.517550 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=198) 0 29.836614 1.704527 2.627126 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=198) 0 30.118665 2.004487 1.618439 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=198) 0 28.300798 1.782090 2.688013 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=198) 0 27.985977 1.597212 3.711268 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=198) 0 28.000378 2.797713 2.426020 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=198) 0 27.548074 0.791677 1.780071 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=198) 0 27.766652 -0.227263 2.096980 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=198) 0 26.050294 1.020547 1.949143 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=198) 0 25.773082 2.010360 1.585130 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=198) 0 25.496204 0.262130 1.401626 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=198) 0 25.789595 0.939006 3.002116 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=198) 0 27.898935 0.931475 0.297662 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=198) 0 28.943581 0.667814 0.135968 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=198) 0 27.274808 0.263493 -0.294844 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=198) 0 27.730495 1.956748 -0.029336 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=198) 0 30.514431 2.689767 3.595032 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=198) 0 30.246955 2.691161 4.795665 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=199) 0 31.350942 3.583754 3.069577 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=199) 0 31.563740 3.511473 2.082484 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=199) 0 31.888909 4.739971 3.807261 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=199) 0 32.093630 4.438986 4.836197 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=199) 0 33.217772 5.177182 3.170381 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=199) 0 33.747271 5.813942 3.880790 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=199) 0 33.838875 4.299932 2.985279 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=199) 0 33.021743 5.950025 1.861810 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=199) 0 32.561703 5.342375 0.864991 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=199) 0 33.328438 7.164564 1.821348 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=199) 0 30.909030 5.929285 3.846976 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=199) 0 31.047660 6.835603 4.670525 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=200) 0 29.934496 5.934393 2.933948 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=200) 0 29.879292 5.117443 2.336745 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=200) 0 29.111088 7.080926 2.535383 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=200) 0 29.249433 7.907314 3.233996 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=200) 0 29.609169 7.502665 1.140552 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=200) 0 30.665192 7.763535 1.214536 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=200) 0 29.534209 6.634938 0.490500 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=200) 0 28.879524 8.678561 0.473967 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=200) 0 27.803598 8.567858 0.566419 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=200) 0 29.166145 9.601548 0.978845 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=200) 0 29.231648 8.784789 -1.020497 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=200) 0 28.806318 9.703275 -1.413248 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=200) 0 30.312224 8.864872 -1.125671 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=200) 0 28.742772 7.611426 -1.886743 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=200) 0 29.108070 7.763798 -2.907059 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=200) 0 29.184532 6.678980 -1.524621 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=200) 0 27.263995 7.506169 -1.904714 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=200) 0 26.852969 8.389506 -2.198532 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=200) 0 26.965985 6.775365 -2.546414 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=200) 0 26.889830 7.291772 -0.984309 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=200) 0 27.634693 6.689598 2.519824 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=200) 0 27.298991 5.555124 2.178442 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=201) 0 26.755185 7.633766 2.836103 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=201) 0 27.093799 8.534495 3.143408 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=201) 0 25.303789 7.452753 2.740485 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=201) 0 25.025029 6.601410 3.360824 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=201) 0 24.597319 8.694687 3.294310 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=201) 0 24.828472 9.548313 2.654899 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=201) 0 23.520358 8.534230 3.262480 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=201) 0 25.014345 9.018186 4.728973 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=201) 0 24.321491 8.608232 5.685185 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=201) 0 26.000449 9.769032 4.911116 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=201) 0 24.835024 7.152548 1.300692 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=201) 0 25.451394 7.577726 0.312782 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=202) 0 23.731225 6.419783 1.160252 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=202) 0 23.228826 6.129355 1.998258 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=202) 0 23.203658 5.999355 -0.138397 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=202) 0 22.711374 6.841617 -0.620890 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=202) 0 24.029399 5.671710 -0.770911 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=202) 0 22.187665 4.868143 -0.044418 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=202) 0 21.551400 4.662498 0.982952 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=203) 0 22.017540 4.126177 -1.136611 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=203) 0 22.610426 4.296345 -1.935869 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=203) 0 21.063280 3.011741 -1.237678 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=203) 0 20.804818 2.668324 -0.236978 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=203) 0 19.760465 3.454657 -1.942998 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=203) 0 19.982284 3.742199 -2.966826 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=203) 0 18.714605 2.338460 -1.981188 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=203) 0 18.490475 2.007415 -0.968092 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=203) 0 17.800816 2.700396 -2.446302 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=203) 0 19.075857 1.498698 -2.571850 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=203) 0 19.123393 4.665111 -1.250511 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=203) 0 19.762494 5.536732 -1.376870 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=203) 0 18.158697 4.896765 -1.691774 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=203) 0 18.987009 4.458392 -0.190589 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=203) 0 21.729694 1.845779 -1.961529 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=203) 0 22.534630 2.059047 -2.867328 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=204) 0 21.394199 0.615275 -1.580209 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=204) 0 20.744231 0.510616 -0.805053 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=204) 0 21.861460 -0.606362 -2.241604 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=204) 0 22.350532 -0.333343 -3.173581 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=204) 0 22.898419 -1.353059 -1.385466 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=204) 0 22.423718 -1.705513 -0.474164 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=204) 0 23.452363 -2.569323 -2.120765 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=204) 0 23.938612 -2.255573 -3.044221 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=204) 0 24.172379 -3.074708 -1.478018 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=204) 0 22.651452 -3.272834 -2.347265 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=204) 0 24.094304 -0.466121 -1.014787 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=204) 0 23.770669 0.358718 -0.381180 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=204) 0 24.833289 -1.049613 -0.466734 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=204) 0 24.555285 -0.060536 -1.915793 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=204) 0 20.670712 -1.500250 -2.576039 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=204) 0 19.863533 -1.827157 -1.706627 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=205) 0 20.572049 -1.905755 -3.840625 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=205) 0 21.318247 -1.631651 -4.472324 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=205) 0 19.611805 -2.888805 -4.335617 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=205) 0 18.769195 -2.946551 -3.645278 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=205) 0 19.060111 -2.410102 -5.689041 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=205) 0 18.500039 -1.502184 -5.473395 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=205) 0 19.883546 -2.135177 -6.346702 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=205) 0 18.121302 -3.376397 -6.440527 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=205) 0 17.471877 -3.890685 -5.732819 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=205) 0 17.251424 -2.547468 -7.386537 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=205) 0 17.875938 -1.989128 -8.083296 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=205) 0 16.575493 -3.194890 -7.937430 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=205) 0 16.658898 -1.843755 -6.804885 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=205) 0 18.866825 -4.407540 -7.297704 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=205) 0 19.402730 -5.113890 -6.670087 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=205) 0 18.158245 -4.979511 -7.892043 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=205) 0 19.566322 -3.908255 -7.965879 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=205) 0 20.277220 -4.262167 -4.368953 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=205) 0 21.343091 -4.439750 -4.958511 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=206) 0 19.625088 -5.236596 -3.754988 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=206) 0 18.703069 -5.029481 -3.385938 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=206) 0 20.049088 -6.625139 -3.682151 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=206) 0 21.055701 -6.719903 -4.085200 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=206) 0 20.078485 -7.083248 -2.221335 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=206) 0 19.069792 -7.013481 -1.811513 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=206) 0 20.365709 -8.135039 -2.204002 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=206) 0 21.025714 -6.312394 -1.320149 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=206) 0 20.608151 -5.112048 -0.712273 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=206) 0 19.621200 -4.717881 -0.909498 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=206) 0 21.468241 -4.427336 0.163179 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=206) 0 21.142062 -3.508567 0.625945 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=206) 0 22.747840 -4.939719 0.437926 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=206) 0 23.404809 -4.420575 1.122414 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=206) 0 23.170560 -6.132168 -0.174718 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=206) 0 24.151048 -6.530432 0.041814 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=206) 0 22.313258 -6.816226 -1.054932 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=206) 0 22.638440 -7.740317 -1.511928 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=206) 0 19.113294 -7.504052 -4.512330 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=206) 0 17.936343 -7.190182 -4.695254 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=207) 0 19.642043 -8.614304 -5.017518 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=207) 0 20.630086 -8.785177 -4.860781 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=207) 0 18.877982 -9.655691 -5.710302 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=207) 0 17.945320 -9.811078 -5.165947 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=207) 0 18.544635 -9.208177 -7.146351 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=207) 0 18.049942 -10.027852 -7.668577 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=207) 0 17.845428 -8.372321 -7.106513 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=207) 0 19.783999 -8.770355 -7.936914 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=207) 0 20.173344 -7.836931 -7.526979 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=207) 0 20.548427 -9.537981 -7.857650 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=207) 0 19.444944 -8.567696 -9.410566 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=207) 0 19.123881 -9.518162 -9.829135 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=207) 0 18.650516 -7.828660 -9.508450 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=207) 0 20.693185 -8.090438 -10.143003 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=207) 0 21.040517 -7.159943 -9.687626 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=207) 0 21.490453 -8.829229 -10.019565 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=207) 0 20.438942 -7.862785 -11.577122 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=207) 0 19.714988 -7.166840 -11.717480 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=207) 0 21.282342 -7.496986 -12.008412 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=207) 0 20.257283 -8.728045 -12.086490 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=207) 0 19.622325 -10.987638 -5.687896 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=207) 0 20.816626 -11.027424 -5.390251 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=208) 0 18.941551 -12.080145 -6.026255 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=208) 0 17.949378 -11.955468 -6.214192 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=208) 0 19.491669 -13.450624 -5.960607 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=208) 0 20.337872 -13.438668 -5.270531 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=208) 0 18.448033 -14.393957 -5.340573 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=208) 0 17.569442 -14.456017 -5.985740 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=208) 0 18.881503 -15.388990 -5.247152 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=208) 0 18.035950 -13.893192 -3.945062 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=208) 0 18.926521 -13.661034 -3.359390 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=208) 0 17.448069 -12.981511 -4.048515 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=208) 0 17.210825 -14.932243 -3.188622 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=208) 0 16.385726 -15.271648 -3.817212 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=208) 0 17.845153 -15.782276 -2.933797 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=208) 0 16.654273 -14.300003 -1.914461 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=208) 0 17.476925 -13.897992 -1.317244 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=208) 0 16.002522 -13.473239 -2.199291 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=208) 0 15.891342 -15.289310 -1.130836 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=208) 0 16.524056 -15.932475 -0.661535 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=208) 0 15.331507 -14.836506 -0.417625 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=208) 0 15.254566 -15.811608 -1.732892 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=208) 0 20.103811 -13.953665 -7.279906 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=208) 0 20.247676 -15.159750 -7.484195 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=209) 0 20.448999 -13.033429 -8.179614 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=209) 0 20.363582 -12.064597 -7.918433 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=209) 0 20.978001 -13.300686 -9.519241 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=209) 0 21.610484 -14.188131 -9.472320 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=209) 0 19.809692 -13.597643 -10.481371 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=209) 0 20.207647 -13.750062 -11.485043 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=209) 0 19.357411 -14.544163 -10.183060 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=209) 0 18.702996 -12.555154 -10.540262 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=209) 0 18.660535 -11.620311 -11.592147 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=209) 0 19.420801 -11.633790 -12.360544 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=209) 0 17.612481 -10.684077 -11.664561 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=209) 0 17.576565 -9.986184 -12.487862 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=209) 0 16.608366 -10.671031 -10.678131 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=209) 0 15.791212 -9.965785 -10.735379 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=209) 0 16.642916 -11.606414 -9.630892 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=209) 0 15.856732 -11.616130 -8.887465 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=209) 0 17.679440 -12.553726 -9.570598 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=209) 0 17.673616 -13.297665 -8.787459 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=209) 0 21.867396 -12.144608 -10.015928 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=209) 0 21.863682 -11.054704 -9.443486 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=210) 0 22.630517 -12.387967 -11.084201 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=210) 0 22.560835 -13.306664 -11.499425 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=210) 0 23.685493 -11.512512 -11.626828 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=210) 0 24.205928 -12.071908 -12.403872 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=210) 0 23.078157 -10.279705 -12.326470 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=210) 0 22.687719 -9.599404 -11.571512 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=210) 0 23.867914 -9.757605 -12.868193 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=210) 0 21.965642 -10.626086 -13.320506 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=210) 0 20.985007 -9.844067 -13.386490 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=210) 0 22.084781 -11.665808 -14.016324 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=210) 0 24.758029 -11.198930 -10.564913 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=210) 0 25.102747 -12.079737 -9.770416 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=211) 0 25.304315 -9.980598 -10.512292 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=211) 0 25.033492 -9.299045 -11.211062 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=211) 0 26.234799 -9.554598 -9.447991 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=211) 0 27.084546 -10.238746 -9.448417 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=211) 0 26.790080 -8.150185 -9.757369 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=211) 0 27.665193 -7.992217 -9.125906 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=211) 0 27.129258 -8.122209 -10.792535 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=211) 0 25.825981 -6.977034 -9.511780 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=211) 0 25.569431 -6.954514 -8.454174 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=211) 0 26.342488 -6.044819 -9.747722 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=211) 0 24.546840 -7.062995 -10.344210 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=211) 0 24.628278 -6.945357 -11.589992 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=211) 0 23.463080 -7.295594 -9.762928 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=211) 0 25.610265 -9.615842 -8.036390 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=211) 0 26.318648 -9.745641 -7.034807 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=212) 0 24.277721 -9.549516 -7.949101 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=212) 0 23.765174 -9.404924 -8.812940 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=212) 0 23.489757 -9.721255 -6.727990 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=212) 0 22.489163 -10.037215 -7.008536 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=212) 0 23.932625 -10.515273 -6.127939 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=212) 0 23.378078 -8.477980 -5.842695 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=212) 0 22.583353 -8.474854 -4.897658 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=213) 0 24.151838 -7.421300 -6.115582 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=213) 0 24.770049 -7.486754 -6.915940 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=213) 0 24.225028 -6.208763 -5.290383 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=213) 0 23.239984 -6.017227 -4.865879 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=213) 0 25.206824 -6.474096 -4.138380 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=213) 0 24.901132 -7.388476 -3.627201 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=213) 0 26.207980 -6.624649 -4.542827 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=213) 0 25.213447 -5.347462 -3.101845 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=213) 0 24.245515 -4.854846 -3.132260 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=213) 0 25.324814 -5.779018 -2.106363 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=213) 0 26.330113 -4.316573 -3.322002 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=213) 0 26.550093 -4.206281 -4.385051 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=213) 0 25.972254 -3.358520 -2.952986 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=213) 0 27.549918 -4.709993 -2.595119 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=213) 0 27.836649 -5.682309 -2.686733 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=213) 0 28.226303 -3.972107 -1.736621 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=213) 0 28.015750 -2.694306 -1.578740 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=213) 0 27.361774 -2.207635 -2.187439 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=213) 0 28.472322 -2.214048 -0.812079 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=213) 0 29.137833 -4.504492 -0.977478 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=213) 0 29.314865 -5.507816 -0.990017 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=213) 0 29.635963 -3.902744 -0.343350 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=213) 0 24.637004 -4.990348 -6.118181 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=213) 0 25.655253 -5.013632 -6.795129 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=214) 0 23.851950 -3.920959 -6.036552 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=214) 0 23.042350 -3.982786 -5.430377 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=214) 0 23.928158 -2.748197 -6.906113 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=214) 0 24.859737 -2.760633 -7.477807 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=214) 0 22.734205 -2.791331 -7.880771 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=214) 0 21.805416 -2.852855 -7.318611 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=214) 0 22.711374 -1.871549 -8.465454 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=214) 0 22.808435 -3.961187 -8.840116 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=214) 0 23.300818 -3.833803 -9.948793 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=214) 0 22.338661 -5.122000 -8.451613 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=214) 0 22.618942 -5.929900 -9.015986 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=214) 0 21.967030 -5.228586 -7.526038 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=214) 0 23.895372 -1.474382 -6.055785 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=214) 0 22.934419 -1.259818 -5.318351 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=215) 0 24.919924 -0.629608 -6.149809 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=215) 0 25.657288 -0.824329 -6.821831 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=215) 0 25.043963 0.591460 -5.351369 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=215) 0 24.515924 0.473283 -4.402353 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=215) 0 26.530075 0.820387 -5.055452 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=215) 0 27.054155 0.845784 -6.008772 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=215) 0 26.649395 1.792947 -4.584127 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=215) 0 27.214381 -0.209690 -4.168074 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=215) 0 26.623017 -1.025328 -3.472389 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=215) 0 28.525676 -0.194321 -4.163935 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=215) 0 29.014051 -0.854393 -3.591210 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=215) 0 29.006227 0.475171 -4.747732 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=215) 0 24.440431 1.797085 -6.098730 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=215) 0 24.725331 2.004020 -7.280899 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=216) 0 23.627180 2.609900 -5.423264 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=216) 0 23.428331 2.391808 -4.452044 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=216) 0 22.866257 3.705992 -6.034044 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=216) 0 22.346796 3.307513 -6.905764 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=216) 0 21.803908 4.188858 -5.044932 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=216) 0 21.147002 3.348649 -4.820748 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=216) 0 22.290025 4.503496 -4.120567 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=216) 0 20.966808 5.333670 -5.569423 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=216) 0 19.828597 5.065511 -6.344324 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=216) 0 19.535706 4.045114 -6.510086 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=216) 0 19.077217 6.115320 -6.897098 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=216) 0 18.202627 5.902599 -7.491198 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=216) 0 19.470240 7.442675 -6.672952 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=216) 0 18.905950 8.261959 -7.090109 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=216) 0 20.608110 7.711646 -5.899220 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=216) 0 20.909154 8.731628 -5.734233 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=216) 0 21.356759 6.664215 -5.342505 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=216) 0 22.239497 6.886641 -4.759511 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=216) 0 23.733071 4.877146 -6.519962 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=216) 0 24.643091 5.331466 -5.822669 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=217) 0 23.395270 5.413191 -7.692856 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=217) 0 22.578312 5.048114 -8.166098 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=217) 0 24.185524 6.401075 -8.434564 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=217) 0 25.158776 6.524682 -7.959770 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=217) 0 24.419289 5.873616 -9.857859 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=217) 0 23.451126 5.668360 -10.309840 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=217) 0 24.910147 6.643588 -10.452675 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=217) 0 25.268701 4.596721 -9.904563 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=217) 0 26.321786 4.873240 -9.843078 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=217) 0 25.039813 3.961513 -9.049991 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=217) 0 25.008288 3.797180 -11.182881 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=217) 0 25.152930 4.371685 -12.285827 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=217) 0 24.672491 2.592338 -11.075725 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=217) 0 23.499560 7.776166 -8.494535 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=217) 0 22.334939 7.887636 -8.900901 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=218) 0 24.242201 8.827379 -8.146390 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=218) 0 25.162074 8.659802 -7.757087 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=218) 0 23.781990 10.214703 -8.215451 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=218) 0 24.642204 10.883690 -8.212233 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=218) 0 23.249322 10.357347 -9.153814 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=218) 0 22.861981 10.623649 -7.065629 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=218) 0 22.920043 10.062226 -5.972158 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=219) 0 22.016869 11.624024 -7.298487 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=219) 0 21.977482 12.015800 -8.233756 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=219) 0 21.145922 12.206244 -6.275842 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=219) 0 21.746634 12.366738 -5.380791 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=219) 0 20.660337 13.575580 -6.748522 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=219) 0 21.543105 14.176871 -6.960193 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=219) 0 20.082274 13.457174 -7.665900 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=219) 0 19.800371 14.305515 -5.709400 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=219) 0 18.771478 13.948840 -5.772363 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=219) 0 20.175617 14.073627 -4.710253 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=219) 0 19.842254 15.823300 -5.911990 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=219) 0 19.908835 16.298438 -7.073484 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=219) 0 19.886261 16.546017 -4.885763 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=219) 0 19.972214 11.292644 -5.907414 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=219) 0 19.209261 10.841649 -6.768442 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=220) 0 19.807429 11.035355 -4.608371 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=220) 0 20.456950 11.458910 -3.950065 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=220) 0 18.752334 10.156207 -4.091527 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=220) 0 18.689588 9.272371 -4.723734 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=220) 0 19.058605 9.683935 -2.659425 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=220) 0 19.019990 10.546438 -2.003366 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=220) 0 18.022810 8.655543 -2.194636 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=220) 0 18.091359 7.764496 -2.817571 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=220) 0 18.209388 8.387482 -1.157475 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=220) 0 17.015450 9.067479 -2.248849 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=220) 0 20.438734 9.032449 -2.511674 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=220) 0 21.220253 9.732132 -2.803642 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=220) 0 20.609381 8.758301 -1.471517 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=220) 0 20.503420 8.140052 -3.130252 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=220) 0 17.407612 10.878380 -4.142278 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=220) 0 17.120015 11.726181 -3.297190 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=221) 0 16.561760 10.513963 -5.103111 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=221) 0 16.875202 9.846081 -5.791012 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=221) 0 15.159984 10.953422 -5.180072 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=221) 0 14.902370 11.417885 -4.237139 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=221) 0 14.897067 12.014227 -6.266069 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=221) 0 14.035676 12.585265 -5.931588 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=221) 0 16.041625 12.998229 -6.496126 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=221) 0 16.911774 12.481226 -6.896347 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=221) 0 15.728143 13.761501 -7.208219 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=221) 0 16.307473 13.476732 -5.554028 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=221) 0 14.551844 11.445601 -7.507705 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=221) 0 13.680025 11.839847 -7.725239 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=221) 0 14.235964 9.753927 -5.361006 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=221) 0 14.689149 8.708490 -5.830667 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=222) 0 12.941238 9.885688 -5.039338 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=222) 0 12.633899 10.750221 -4.601211 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=222) 0 11.932123 8.856547 -5.341555 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=222) 0 12.156357 7.964082 -4.761217 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=222) 0 10.531603 9.364059 -4.948902 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=222) 0 10.510275 9.524323 -3.870695 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=222) 0 10.342818 10.320394 -5.441582 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=222) 0 9.418379 8.371889 -5.341192 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=222) 0 9.417225 8.242577 -6.423328 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=222) 0 9.608737 7.407197 -4.873944 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=222) 0 8.030368 8.870673 -4.929607 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=222) 0 7.956795 8.899330 -3.845202 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=222) 0 7.906308 9.877189 -5.320787 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=222) 0 6.931153 7.960876 -5.493707 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=222) 0 6.955421 8.019994 -6.585603 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=222) 0 7.151813 6.931095 -5.204818 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=222) 0 5.582720 8.340369 -5.002132 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=222) 0 5.381835 9.318090 -5.205574 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=222) 0 4.858960 7.757174 -5.424790 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=222) 0 5.503985 8.200466 -3.998196 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=222) 0 11.990053 8.455344 -6.815215 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=222) 0 12.049532 7.272338 -7.126966 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=223) 0 12.030051 9.435486 -7.711689 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=223) 0 12.051653 10.391371 -7.370976 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=223) 0 12.054545 9.220779 -9.158942 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=223) 0 11.192593 8.613122 -9.439864 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=223) 0 11.952581 10.565470 -9.899318 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=223) 0 12.865706 11.145859 -9.764295 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=223) 0 11.867268 10.341129 -10.960316 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=223) 0 10.730662 11.413132 -9.501570 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=223) 0 10.500788 12.073718 -10.336564 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=223) 0 9.870216 10.753687 -9.368538 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=223) 0 10.910698 12.280637 -8.241858 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=223) 0 11.992646 12.274171 -7.605886 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=223) 0 9.930682 12.969280 -7.857206 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=223) 0 13.312280 8.456194 -9.594687 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=223) 0 13.203554 7.416696 -10.248816 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=224) 0 14.492491 8.909417 -9.156447 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=224) 0 14.505372 9.758117 -8.599117 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=224) 0 15.770685 8.264943 -9.459445 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=224) 0 15.853967 8.135362 -10.540493 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=224) 0 16.918457 9.167464 -8.971383 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=224) 0 16.754038 9.440391 -7.929536 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=224) 0 17.850657 8.609424 -9.040416 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=224) 0 17.121759 10.428866 -9.788178 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=224) 0 16.681135 10.552458 -10.924819 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=224) 0 17.877661 11.366605 -9.267987 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=224) 0 18.040213 12.214000 -9.790192 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=224) 0 18.308663 11.221991 -8.358043 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=224) 0 15.888791 6.864158 -8.838052 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=224) 0 16.538174 5.998230 -9.418046 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=225) 0 15.270563 6.614078 -7.679442 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=225) 0 14.790717 7.381349 -7.218275 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=225) 0 15.240247 5.296045 -7.037416 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=225) 0 16.235143 4.864780 -7.077618 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=225) 0 14.821021 5.445936 -5.570434 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=225) 0 13.978992 6.136305 -5.515839 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=225) 0 14.481481 4.479420 -5.194372 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=225) 0 15.963079 5.941809 -4.672298 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=225) 0 16.470630 6.792677 -5.126345 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=225) 0 15.375199 6.359902 -3.331098 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=225) 0 14.788195 5.537587 -2.928968 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=225) 0 16.166730 6.611546 -2.630780 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=225) 0 14.731980 7.229982 -3.467891 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=225) 0 16.977164 4.828842 -4.401101 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=225) 0 17.332950 4.394838 -5.330605 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=225) 0 17.835116 5.248647 -3.879812 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=225) 0 16.517666 4.042474 -3.804849 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=225) 0 14.320392 4.315630 -7.762871 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=225) 0 14.699149 3.161350 -7.957588 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=226) 0 13.151469 4.775669 -8.211001 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=226) 0 12.888699 5.732171 -7.991041 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=226) 0 12.270202 3.992014 -9.072705 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=226) 0 12.047188 3.043727 -8.584256 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=226) 0 10.954608 4.764906 -9.288180 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=226) 0 11.207425 5.762449 -9.638003 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=226) 0 10.375065 4.270841 -10.069315 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=226) 0 10.064440 4.913100 -8.036725 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=226) 0 10.649923 5.276722 -7.197525 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=226) 0 8.934166 5.906047 -8.309715 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=226) 0 8.313171 5.545036 -9.131598 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=226) 0 8.318191 6.016309 -7.419565 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=226) 0 9.355377 6.874469 -8.578099 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=226) 0 9.432758 3.596870 -7.606856 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=226) 0 10.209966 2.884569 -7.339496 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=226) 0 8.802127 3.760181 -6.734390 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=226) 0 8.821916 3.200003 -8.418359 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=226) 0 12.982774 3.649287 -10.393401 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=226) 0 12.943388 2.497585 -10.815635 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=227) 0 13.706973 4.588414 -11.012830 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=227) 0 13.699674 5.532464 -10.636718 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=227) 0 14.534289 4.305462 -12.198761 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=227) 0 13.911904 3.832115 -12.957552 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=227) 0 15.089580 5.609902 -12.788279 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=227) 0 15.585557 6.184660 -12.005087 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=227) 0 15.833731 5.360315 -13.544844 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=227) 0 14.010583 6.459347 -13.456336 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=227) 0 13.240096 5.920629 -14.287841 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=227) 0 13.925887 7.674700 -13.170513 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=227) 0 15.678262 3.320065 -11.898594 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=227) 0 15.855827 2.334669 -12.609130 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=228) 0 16.421085 3.512043 -10.809552 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=228) 0 16.266238 4.357460 -10.269238 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=228) 0 17.467340 2.587180 -10.356145 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=228) 0 18.257522 2.551107 -11.106332 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=228) 0 18.048055 3.161999 -9.062094 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=228) 0 18.694739 4.000008 -9.321463 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=228) 0 17.230635 3.569669 -8.475014 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=228) 0 18.814474 2.217715 -8.160485 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=228) 0 20.139102 1.853875 -8.465535 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=228) 0 20.591883 2.167747 -9.395748 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=228) 0 20.890562 1.108393 -7.540582 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=228) 0 21.909185 0.830001 -7.771280 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=228) 0 20.332917 0.760518 -6.299138 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=228) 0 20.928245 0.229659 -5.573392 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=228) 0 19.004188 1.105106 -6.000371 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=228) 0 18.575155 0.834069 -5.046118 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=228) 0 18.237476 1.813230 -6.939895 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=228) 0 17.220228 2.092890 -6.700583 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=228) 0 16.951718 1.149915 -10.173066 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=228) 0 17.658775 0.204487 -10.522087 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=229) 0 15.708959 0.978168 -9.713549 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=229) 0 15.205019 1.806776 -9.410171 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=229) 0 15.012208 -0.314473 -9.653280 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=229) 0 15.673450 -1.041313 -9.182381 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=229) 0 13.757175 -0.160435 -8.757146 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=229) 0 13.238407 0.749633 -9.052210 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=229) 0 12.745686 -1.315563 -8.864470 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=229) 0 13.141532 -2.202343 -8.378700 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=229) 0 11.820195 -1.041516 -8.358971 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=229) 0 12.507486 -1.542248 -9.902540 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=229) 0 14.212687 -0.011574 -7.286084 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=229) 0 14.550358 -0.976573 -6.909442 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=229) 0 15.055379 0.675585 -7.223412 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=229) 0 13.127250 0.520216 -6.350591 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=229) 0 12.348756 -0.229333 -6.211803 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=229) 0 13.582283 0.743126 -5.385968 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=229) 0 12.694181 1.435020 -6.756152 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=229) 0 14.729618 -0.840039 -11.072960 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=229) 0 15.148556 -1.957241 -11.398608 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=230) 0 14.109877 -0.035169 -11.950360 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=230) 0 13.838269 0.892535 -11.632497 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=230) 0 13.850144 -0.389209 -13.365737 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=230) 0 13.143727 -1.219967 -13.411891 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=230) 0 13.245996 0.813027 -14.116747 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=230) 0 13.930776 1.654644 -14.033318 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=230) 0 13.171187 0.564064 -15.176412 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=230) 0 11.850317 1.238525 -13.628855 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=230) 0 11.127044 0.492538 -13.937162 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=230) 0 11.825998 1.275196 -12.545486 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=230) 0 11.438756 2.598794 -14.215663 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=230) 0 12.321611 3.108395 -14.597448 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=230) 0 10.750716 2.432333 -15.044604 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=230) 0 10.771667 3.512181 -13.183175 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=230) 0 9.768243 3.136646 -12.957811 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=230) 0 11.361039 3.486924 -12.266120 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=230) 0 10.703007 4.905248 -13.682316 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=230) 0 10.082099 4.975568 -14.484773 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=230) 0 10.396071 5.552173 -12.959122 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=230) 0 11.621870 5.241798 -13.971175 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=230) 0 15.115573 -0.840895 -14.109275 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=230) 0 15.029400 -1.719171 -14.965138 L N-N--0.415700(PDBName=N,ResName=HID,ResNum=231) 0 16.280027 -0.287365 -13.768407 L H-H-0.271900(PDBName=H,ResName=HID,ResNum=231) 0 16.234231 0.502556 -13.133760 L C-CT-0.018800(PDBName=CA,ResName=HID,ResNum=231) 0 17.555415 -0.543189 -14.448067 L H-H1-0.088100(PDBName=HA,ResName=HID,ResNum=231) 0 17.338781 -1.002807 -15.413353 L C-CT--0.046200(PDBName=CB,ResName=HID,ResNum=231) 0 18.232096 0.807658 -14.756407 L H-HC-0.040200(PDBName=HB2,ResName=HID,ResNum=231) 0 18.485371 1.302509 -13.817572 L H-HC-0.040200(PDBName=HB3,ResName=HID,ResNum=231) 0 19.157360 0.627195 -15.304475 L C-CC--0.026600(PDBName=CG,ResName=HID,ResNum=231) 0 17.377891 1.735362 -15.593535 L N-NA--0.381100(PDBName=ND1,ResName=HID,ResNum=231) 0 16.862867 1.463490 -16.839261 L H-H-0.364900(PDBName=HD1,ResName=HID,ResNum=231) 0 17.077864 0.650262 -17.412620 L C-CR-0.205700(PDBName=CE1,ResName=HID,ResNum=231) 0 16.120444 2.510978 -17.228449 L H-H5-0.139200(PDBName=HE1,ResName=HID,ResNum=231) 0 15.599480 2.578744 -18.175558 L N-NB--0.572700(PDBName=NE2,ResName=HID,ResNum=231) 0 16.135456 3.476121 -16.290191 L C-CV-0.129200(PDBName=CD2,ResName=HID,ResNum=231) 0 16.953515 2.993625 -15.259364 L H-H4-0.114700(PDBName=HD2,ResName=HID,ResNum=231) 0 17.200963 3.518871 -14.348649 L C-C-0.597300(PDBName=C,ResName=HID,ResNum=231) 0 18.496621 -1.540417 -13.729263 L O-O--0.567900(PDBName=O,ResName=HID,ResNum=231) 0 19.626947 -1.721875 -14.192080 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=232) 0 18.092014 -2.190056 -12.619746 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=232) 0 17.169834 -1.983271 -12.256969 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=232) 0 18.964878 -3.140222 -11.890404 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=232) 0 19.716125 -3.516414 -12.588704 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=232) 0 19.725996 -2.394030 -10.773320 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=232) 0 19.020992 -1.903151 -10.107515 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=232) 0 20.284821 -3.122190 -10.187487 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=232) 0 20.735799 -1.379062 -11.291291 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=232) 0 21.843480 -1.719427 -11.678055 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=232) 0 20.404056 -0.113958 -11.331137 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=232) 0 21.114032 0.536418 -11.651807 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=232) 0 19.478065 0.160808 -11.024353 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=232) 0 18.299186 -4.426160 -11.332395 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=232) 0 18.985394 -5.448879 -11.254915 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=233) 0 17.009882 -4.439427 -10.955565 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=233) 0 16.462505 -3.596753 -11.077199 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=233) 0 16.299214 -5.699806 -10.615770 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=233) 0 17.040685 -6.426471 -10.288602 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=233) 0 15.378033 -5.535974 -9.396699 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=233) 0 14.874413 -6.481079 -9.222057 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=233) 0 16.022534 -5.367560 -8.537313 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=233) 0 14.324756 -4.423996 -9.387718 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=233) 0 13.941306 -4.332086 -8.373914 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=233) 0 14.797540 -3.478944 -9.615971 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=233) 0 13.130921 -4.675056 -10.300575 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=233) 0 12.179218 -5.343022 -9.913913 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=233) 0 13.146769 -4.150651 -11.506117 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=233) 0 13.915279 -3.564757 -11.803924 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=233) 0 12.367165 -4.307660 -12.134128 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=233) 0 15.661118 -6.359436 -11.852733 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=233) 0 16.039597 -5.997952 -12.957725 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=234) 0 14.786552 -7.365078 -11.717574 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=234) 0 14.517168 -7.677386 -10.795553 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=234) 0 14.059933 -7.971026 -12.848071 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=234) 0 13.787920 -7.172217 -13.537403 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=234) 0 14.986716 -8.978026 -13.571179 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=234) 0 15.986067 -8.556002 -13.674215 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=234) 0 15.063773 -9.866052 -12.944564 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=234) 0 14.511434 -9.419777 -14.968450 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=234) 0 13.449970 -9.627492 -14.947031 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=234) 0 14.762528 -8.355593 -16.035750 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=234) 0 15.830537 -8.210527 -16.179191 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=234) 0 14.319172 -8.678427 -16.977781 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=234) 0 14.304850 -7.410616 -15.746154 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=234) 0 15.248993 -10.690102 -15.392602 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=234) 0 15.013867 -11.492500 -14.691618 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=234) 0 14.909657 -10.995993 -16.382278 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=234) 0 16.324975 -10.522863 -15.406832 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=234) 0 12.784640 -8.697312 -12.353830 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=234) 0 12.866131 -9.373258 -11.324629 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=235) 0 11.639111 -8.604877 -13.059289 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=235) 0 11.351821 -7.653277 -14.127647 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=235) 0 12.106175 -7.683826 -14.912516 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=235) 0 11.286852 -6.648489 -13.707464 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=235) 0 9.995195 -8.058129 -14.704422 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=235) 0 10.140322 -8.766825 -15.521535 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=235) 0 9.423107 -7.195134 -15.043871 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=235) 0 9.320419 -8.759783 -13.527701 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=235) 0 8.526709 -9.432475 -13.855990 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=235) 0 8.925026 -8.021191 -12.836372 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=235) 0 10.485771 -9.489679 -12.858583 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=235) 0 10.276855 -9.612619 -11.795611 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=235) 0 10.691010 -10.879058 -13.489287 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=235) 0 11.638202 -11.097274 -14.240542 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=236) 0 9.771640 -11.809742 -13.220038 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=236) 0 8.975671 -11.549925 -12.657181 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=236) 0 9.694887 -13.123668 -13.871107 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=236) 0 10.424694 -13.177733 -14.679676 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=236) 0 9.989594 -14.256537 -12.864627 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=236) 0 9.313392 -14.158880 -12.014223 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=236) 0 9.734102 -15.196799 -13.355974 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=236) 0 11.428988 -14.423515 -12.335207 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=236) 0 11.451396 -15.389200 -11.834845 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=236) 0 12.479900 -14.478198 -13.444594 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=236) 0 12.576693 -13.505899 -13.925693 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=236) 0 13.442889 -14.757813 -13.017607 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=236) 0 12.191408 -15.223374 -14.185588 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=236) 0 11.846764 -13.376580 -11.297195 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=236) 0 11.086648 -13.307503 -10.520058 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=236) 0 12.791106 -13.672909 -10.842977 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=236) 0 11.991194 -12.406301 -11.764436 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=236) 0 8.311017 -13.313570 -14.516882 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=236) 0 7.326096 -12.746424 -14.037630 L N-N--0.382100(PDBName=N,ResName=VAL,ResNum=237) 0 8.255437 -14.107342 -15.592244 L H-H-0.268100(PDBName=H,ResName=VAL,ResNum=237) 0 9.100786 -14.569724 -15.904562 L C-CT--0.343800(PDBName=CA,ResName=VAL,ResNum=237) 0 7.056583 -14.488471 -16.365447 L H-H1-0.143800(PDBName=HA,ResName=VAL,ResNum=237) 0 6.232023 -14.662468 -15.678426 L C-CT-0.194000(PDBName=CB,ResName=VAL,ResNum=237) 0 6.659000 -13.354755 -17.330668 L H-HC-0.030800(PDBName=HB,ResName=VAL,ResNum=237) 0 6.553019 -12.442518 -16.740499 L C-CT--0.306400(PDBName=CG1,ResName=VAL,ResNum=237) 0 7.704507 -13.082559 -18.420128 L H-HC-0.083600(PDBName=HG11,ResName=VAL,ResNum=237) 0 7.391217 -12.238522 -19.032151 L H-HC-0.083600(PDBName=HG12,ResName=VAL,ResNum=237) 0 8.664488 -12.851615 -17.960290 L H-HC-0.083600(PDBName=HG13,ResName=VAL,ResNum=237) 0 7.821513 -13.964632 -19.050782 L C-CT--0.306400(PDBName=CG2,ResName=VAL,ResNum=237) 0 5.301607 -13.619646 -17.988421 L H-HC-0.083600(PDBName=HG21,ResName=VAL,ResNum=237) 0 4.557747 -13.814039 -17.216280 L H-HC-0.083600(PDBName=HG22,ResName=VAL,ResNum=237) 0 4.996667 -12.753398 -18.573077 L H-HC-0.083600(PDBName=HG23,ResName=VAL,ResNum=237) 0 5.367449 -14.492328 -18.639294 L C-C-0.835000(PDBName=C,ResName=VAL,ResNum=237) 0 7.292924 -15.822120 -17.078949 L O-O2--0.817300(PDBName=O,ResName=VAL,ResNum=237) 0 6.300683 -16.558918 -17.256669 L O-O2--0.817300(PDBName=OXT,ResName=VAL,ResNum=237) 0 8.475148 -16.095417 -17.389632 L C-C-1.004947(PDBName=C18,ResName=GDS,ResNum=238) 0 -24.761101 -15.800139 -11.255353 L H-H1 94 0.0000 O-O2--0.856478(PDBName=O5,ResName=GDS,ResNum=238) 0 -24.325388 -14.862286 -11.948433 L O-O2--0.856478(PDBName=O6,ResName=GDS,ResNum=238) 0 -25.378165 -15.730860 -10.175124 L C-CT-0.021774(PDBName=C10,ResName=GDS,ResNum=238) 0 -24.401272 -20.972723 -5.812014 L H-HC 101 0.0000 C-CT-0.090430(PDBName=C6,ResName=GDS,ResNum=238) 0 -25.119616 -22.231541 -5.349041 L C-C-0.795436(PDBName=C20,ResName=GDS,ResNum=238) 0 -24.241350 -22.936654 -4.293865 L O-O2--0.768529(PDBName=O7,ResName=GDS,ResNum=238) 0 -24.663011 -23.040789 -3.124074 L O-O2--0.768529(PDBName=O8,ResName=GDS,ResNum=238) 0 -23.125083 -23.396397 -4.629516 L N-N3--0.516764(PDBName=N6,ResName=GDS,ResNum=238) 0 -26.481418 -21.848778 -4.880325 L H-H-0.336685(PDBName=H23,ResName=GDS,ResNum=238) 0 -26.990889 -22.646286 -4.513221 L H-H-0.336685(PDBName=H24,ResName=GDS,ResNum=238) 0 -26.433992 -21.152085 -4.139384 L H-H-0.336685(PDBName=H26,ResName=GDS,ResNum=238) 0 -27.014097 -21.449972 -5.650506 L H-HP-0.075961(PDBName=H8,ResName=GDS,ResNum=238) 0 -25.220532 -22.906588 -6.198876 L H-HC-0.040870(PDBName=H15,ResName=GDS,ResNum=238) 0 -25.141573 -20.256192 -6.176896 L H-HC-0.040870(PDBName=H16,ResName=GDS,ResNum=238) 0 -23.913933 -20.549558 -4.942130 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=239) -1 -7.721247 -11.087384 -4.893045 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=239) -1 -7.296264 -10.413683 -5.498638 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=239) -1 -7.134926 -10.962320 -4.116078 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=240) -1 -6.192285 5.274618 9.748576 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=240) -1 -5.367950 5.666749 9.381653 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=240) -1 -5.960404 4.318480 9.669805 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=242) -1 17.157063 -10.514986 -2.567165 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=242) -1 16.241105 -10.838165 -2.702678 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=242) -1 17.192533 -10.532247 -1.586139 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=243) -1 -3.662593 4.591613 2.062799 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=243) -1 -4.054958 5.468652 2.287346 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=243) -1 -4.132742 4.036268 2.717875 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=244) -1 31.525868 -1.744548 15.006695 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=244) -1 30.645511 -1.864393 14.578232 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=244) -1 32.020887 -1.332080 14.268107 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=245) -1 -1.381178 3.709175 15.242270 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=245) -1 -1.366902 3.373517 14.307641 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=245) -1 -1.046580 2.902438 15.690968 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=246) -1 -11.297098 -21.048152 -0.527743 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=246) -1 -11.204885 -20.303413 0.102971 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=246) -1 -11.877513 -20.637317 -1.207584 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=248) -1 -12.800571 -22.772235 -3.077290 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=248) -1 -11.836051 -22.962215 -3.094526 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=248) -1 -12.770444 -21.815643 -2.825043 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=250) -1 -9.335081 -13.300223 -4.532186 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=250) -1 -8.773781 -12.519891 -4.723184 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=250) -1 -10.225496 -12.921945 -4.609747 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=251) -1 -15.511468 -11.536697 -11.569873 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=251) -1 -15.790417 -12.358304 -12.077495 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=251) -1 -16.202737 -11.552261 -10.883196 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=253) -1 -9.445832 -20.139909 -2.328691 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=253) -1 -9.238769 -19.306501 -1.847998 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=253) -1 -9.967600 -20.604969 -1.636342 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=255) -1 -14.291002 -9.776276 -13.093282 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=255) -1 -13.371053 -9.904682 -12.763446 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=255) -1 -14.738340 -10.474573 -12.532772 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=257) -1 -24.942079 -14.352406 -14.364431 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=257) -1 -24.283145 -13.615596 -14.481302 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=257) -1 -24.707566 -14.580840 -13.416720 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=258) -1 -14.579678 -24.724151 -3.022007 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=258) -1 -13.953124 -23.957015 -3.104439 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=258) -1 -15.263126 -24.426565 -3.673241 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=259) -1 -21.658777 -15.153492 -11.973047 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=259) -1 -22.624505 -14.980307 -12.017231 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=259) -1 -21.329982 -14.521704 -12.638373 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=260) -1 -22.907406 -23.905998 -1.414697 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=260) -1 -22.626889 -24.703613 -1.923470 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=260) -1 -23.573910 -23.550686 -2.067836 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=261) -1 -21.198805 -11.413521 -12.402976 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=261) -1 -20.351355 -11.030817 -12.086806 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=261) -1 -20.862233 -12.213643 -12.860194 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=262) -1 -25.725352 -13.074817 -10.791401 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=262) -1 -25.201164 -13.677261 -11.389499 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=262) -1 -25.573919 -13.557288 -9.948045 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=263) -1 -27.566377 -14.864387 -14.441078 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=263) -1 -26.593304 -14.672823 -14.392945 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=263) -1 -27.893438 -13.992479 -14.713649 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=264) -1 -18.021447 -12.515771 -14.445211 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=264) -1 -17.640213 -11.601500 -14.453581 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=264) -1 -17.393420 -12.922227 -13.783887 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=266) -1 -28.461209 -13.471973 -10.641322 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=266) -1 -27.570716 -13.097240 -10.832634 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=266) -1 -28.220145 -14.425608 -10.577127 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=267) -1 -29.579184 -16.040496 -8.434154 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=267) -1 -30.362215 -15.756023 -8.966107 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=267) -1 -28.901033 -16.011396 -9.157784 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=269) -1 -19.044339 -16.804567 6.808546 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=269) -1 -19.615642 -17.544415 6.563040 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=269) -1 -19.223259 -16.166663 6.092347 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=270) -1 7.589641 -2.901521 -12.442420 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=270) -1 8.015006 -2.998417 -11.559956 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=270) -1 7.620986 -3.840963 -12.738676 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=271) -1 -20.033030 -18.756868 3.052562 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=271) -1 -21.001244 -18.675105 2.984994 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=271) -1 -19.763971 -18.564776 2.130005 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=272) -1 30.240496 11.821470 -2.396008 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=272) -1 29.950416 12.221264 -3.255309 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=272) -1 29.367264 11.815881 -1.936575 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=273) -1 -16.274522 -16.626494 -16.834038 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=273) -1 -16.045955 -16.450656 -17.760082 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=273) -1 -16.751376 -15.778916 -16.617506 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=274) -1 25.198494 -4.580020 -12.745348 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=274) -1 25.133563 -5.405588 -12.210784 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=274) -1 24.258153 -4.312186 -12.757184 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=275) -1 -13.143762 27.067726 2.789014 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=275) -1 -12.380541 26.469106 2.634169 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=275) -1 -13.130668 27.103852 3.772435 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=276) -1 20.195985 -16.522023 -0.325036 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=276) -1 19.288942 -16.335931 0.048609 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=276) -1 20.731314 -16.242659 0.443993 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=277) -1 0.286781 -14.833049 -9.751058 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=277) -1 0.384758 -15.000277 -8.776034 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=277) -1 1.104469 -14.340441 -9.916619 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=278) -1 -27.628476 -10.245953 -8.446785 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=278) -1 -26.899122 -10.231376 -9.100745 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=278) -1 -27.691773 -9.283635 -8.241080 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=279) -1 25.548937 -9.774278 -16.717036 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=279) -1 24.836896 -9.094461 -16.653583 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=279) -1 25.027494 -10.567382 -16.430463 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=280) -1 19.763860 8.140299 -14.846942 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=280) -1 19.830262 9.133898 -14.862918 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=280) -1 19.959605 7.946685 -15.776864 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=281) -1 2.084621 -1.367778 -8.180610 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=281) -1 3.014710 -1.141300 -7.929619 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=281) -1 1.674011 -0.474565 -8.061612 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=282) -1 -21.065258 -3.210809 -17.597974 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=282) -1 -21.707259 -3.652528 -16.978841 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=282) -1 -21.383646 -3.556372 -18.444064 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=283) -1 -23.665326 23.133850 -4.573071 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=283) -1 -23.251991 23.103324 -5.461221 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=283) -1 -24.599595 22.946728 -4.809800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=284) -1 -7.587342 -18.722688 11.413949 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=284) -1 -8.575676 -18.785994 11.364871 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=284) -1 -7.505744 -17.785537 11.709174 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=285) -1 -23.332734 21.570873 10.195829 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=285) -1 -23.090811 20.914418 9.499713 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=285) -1 -23.998061 21.074419 10.689604 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=286) -1 1.968646 8.590076 7.727859 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=286) -1 2.162420 8.118144 8.552593 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=286) -1 2.485695 8.041287 7.087696 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=287) -1 21.854952 12.531744 -2.869803 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=287) -1 22.030033 12.139001 -1.978509 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=287) -1 21.704459 13.467569 -2.596980 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=288) -1 -13.726596 24.056279 -15.989857 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=288) -1 -13.220231 23.563088 -16.650830 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=288) -1 -14.606387 24.112730 -16.433018 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=289) -1 -15.195959 17.086498 2.635941 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=289) -1 -15.964009 16.669487 3.100099 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=289) -1 -14.644040 17.316296 3.420894 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=291) -1 10.112770 19.383685 16.641989 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=291) -1 10.807384 19.196550 15.966050 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=291) -1 9.708002 18.512949 16.728897 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=292) -1 26.781545 1.425379 -9.839718 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=292) -1 27.466509 2.106145 -10.009814 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=292) -1 26.052715 1.767234 -10.405318 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=293) -1 -13.588766 7.174114 -12.184058 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=293) -1 -13.049352 6.578116 -12.754505 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=293) -1 -13.008967 7.195904 -11.383217 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=294) -1 -21.388682 -6.674498 15.758961 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=294) -1 -21.384950 -6.750971 14.772528 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=294) -1 -20.548043 -7.151028 15.952546 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=295) -1 -10.826920 15.164519 -6.373694 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=295) -1 -11.453890 14.772817 -7.036177 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=295) -1 -10.296717 14.348022 -6.183853 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=296) -1 -21.700963 2.328836 -11.344118 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=296) -1 -20.915183 2.539223 -11.908808 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=296) -1 -21.247827 1.879303 -10.596822 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=297) -1 -13.749350 8.910112 13.382016 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=297) -1 -14.375671 8.152286 13.454429 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=297) -1 -12.896369 8.415360 13.382168 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=298) -1 35.149934 -0.481392 11.410894 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=298) -1 35.089053 -0.580974 10.418994 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=298) -1 35.959909 -0.990228 11.571737 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=299) -1 19.309103 13.484960 -11.009177 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=299) -1 19.166804 14.182937 -11.667758 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=299) -1 19.211949 12.682130 -11.577064 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=301) -1 26.169553 -7.899972 -13.477727 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=301) -1 25.612797 -7.540104 -12.738700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=301) -1 25.884779 -7.277746 -14.190369 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=302) -1 -10.146252 4.038696 15.299594 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=302) -1 -9.431070 3.833955 14.647355 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=302) -1 -10.802884 4.444228 14.680747 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=303) -1 18.524233 3.182413 -22.705432 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=303) -1 18.717252 2.649807 -21.912657 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=303) -1 17.585248 3.407416 -22.552032 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=304) -1 -20.991793 13.054032 12.797695 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=304) -1 -21.394588 13.224013 11.903093 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=304) -1 -21.733397 13.310369 13.365325 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=305) -1 -18.956879 1.298399 10.677740 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=305) -1 -19.699563 1.919717 10.593160 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=305) -1 -18.207850 1.917097 10.796094 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=306) -1 7.362094 -3.598967 5.162557 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=306) -1 8.224636 -3.640772 4.698288 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=306) -1 6.772628 -3.448443 4.384694 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=307) -1 4.933751 -10.593321 10.911077 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=307) -1 4.395342 -9.766692 10.914202 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=307) -1 5.755153 -10.227070 10.485789 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=308) -1 12.535836 13.719197 -11.429089 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=308) -1 12.562093 13.018177 -12.120227 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=308) -1 13.470390 13.780584 -11.192463 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=309) -1 -10.282961 19.327816 -11.092207 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=309) -1 -10.400930 18.860990 -11.954912 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=309) -1 -10.241230 18.539655 -10.495934 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=310) -1 -10.538934 -1.124223 11.205877 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=310) -1 -10.907056 -1.760046 11.851386 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=310) -1 -9.774891 -0.776997 11.719037 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=311) -1 23.882754 15.401041 -6.495598 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=311) -1 23.523679 16.242415 -6.877276 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=311) -1 23.452862 15.472155 -5.598656 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=312) -1 -11.809766 14.413718 -0.333367 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=312) -1 -12.512087 14.991681 0.064525 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=312) -1 -12.382758 13.627320 -0.534722 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=313) -1 0.383792 -3.829950 14.650705 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=313) -1 0.547623 -4.406378 15.431988 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=313) -1 1.281396 -3.440822 14.543779 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=314) -1 -26.179221 -7.785819 -10.410828 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=314) -1 -26.675247 -7.719090 -9.568867 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=314) -1 -25.921416 -8.730134 -10.391301 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=315) -1 -19.345704 14.444064 -2.479659 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=315) -1 -19.574947 13.554387 -2.852491 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=315) -1 -18.962558 14.847508 -3.296448 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=316) -1 19.623395 -18.812370 -1.637853 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=316) -1 19.858198 -17.985257 -1.152619 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=316) -1 20.294698 -19.419179 -1.296853 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=317) -1 -21.927177 -16.813580 5.472844 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=317) -1 -21.220020 -16.195674 5.204578 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=317) -1 -22.235957 -16.412039 6.296581 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=318) -1 -13.597039 5.137862 11.485579 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=318) -1 -13.299859 5.958022 11.017481 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=318) -1 -14.239549 4.798723 10.804355 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=319) -1 29.228712 12.959662 -4.710740 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=319) -1 30.075351 12.987141 -5.224827 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=319) -1 28.624021 12.662782 -5.431829 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=320) -1 -18.331755 26.244708 3.199376 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=320) -1 -18.225919 25.284758 3.047302 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=320) -1 -17.427023 26.488645 3.483921 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=321) -1 -20.234266 29.145871 -3.324826 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=321) -1 -20.009789 29.400368 -4.249729 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=321) -1 -20.459659 30.006771 -2.947670 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=322) -1 23.765566 6.352194 -13.197061 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=322) -1 24.351396 5.588178 -12.921148 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=322) -1 22.899015 5.952143 -12.948564 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=323) -1 25.094029 -14.000687 -14.173419 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=323) -1 24.157110 -14.096120 -13.865965 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=323) -1 25.306169 -14.925142 -14.369191 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=324) -1 15.876153 9.380915 -13.368132 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=324) -1 15.979444 9.784028 -12.486398 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=324) -1 15.125950 8.758149 -13.188893 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=325) -1 -27.907926 -14.966799 -1.090780 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=325) -1 -27.687756 -14.068297 -0.738153 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=325) -1 -28.896010 -14.882345 -1.107239 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=326) -1 12.347341 14.434283 -6.110725 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=326) -1 11.393493 14.463026 -5.840220 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=326) -1 12.293304 13.638662 -6.709429 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=327) -1 -25.851334 2.161836 -3.800311 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=327) -1 -26.386184 1.446625 -3.387142 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=327) -1 -26.398744 2.342594 -4.594437 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=328) -1 14.783847 15.902835 -5.571268 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=328) -1 15.244295 15.572070 -4.769543 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=328) -1 14.108217 15.210366 -5.694432 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=329) -1 2.997121 -2.863803 -4.196714 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=329) -1 3.817598 -2.936610 -4.756158 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=329) -1 3.081287 -1.907765 -3.952599 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=330) -1 11.837423 16.942836 -7.185945 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=330) -1 12.212898 16.137501 -6.776223 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=330) -1 12.319411 17.634510 -6.682335 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=331) -1 -6.611346 11.329098 16.726085 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=331) -1 -6.976605 10.600086 16.169751 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=331) -1 -5.859117 10.883416 17.136684 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=332) -1 -1.562842 -16.180183 -4.294654 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=332) -1 -2.503653 -16.451767 -4.345377 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=332) -1 -1.207138 -16.680533 -5.067960 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=333) -1 0.678174 -10.739789 14.165658 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=333) -1 0.758365 -11.718237 14.165456 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=333) -1 1.593308 -10.476004 14.000243 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=334) -1 -24.101647 7.638698 5.462969 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=334) -1 -24.182661 6.878151 6.062345 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=334) -1 -23.206246 7.442688 5.070853 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=335) -1 3.183408 6.146638 -2.112601 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=335) -1 4.069859 6.564323 -2.254744 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=335) -1 3.474431 5.215271 -1.980725 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=336) -1 31.808513 10.726428 2.785109 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=336) -1 31.011566 11.110977 3.168552 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=336) -1 31.699200 10.947944 1.837491 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=337) -1 -15.249076 32.335609 -1.812289 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=337) -1 -15.108026 33.165240 -1.335021 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=337) -1 -15.418177 31.721912 -1.054000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=338) -1 7.537215 11.646367 -7.512740 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=338) -1 8.434125 12.039312 -7.410545 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=338) -1 7.293265 12.031321 -8.382415 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=339) -1 9.099755 -0.983318 -13.609283 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=339) -1 9.445503 -0.791655 -12.704945 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=339) -1 8.487532 -1.726414 -13.383970 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=340) -1 14.144152 18.310080 -2.733229 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=340) -1 15.028825 18.002127 -2.445047 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=340) -1 13.581379 17.620058 -2.301881 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=341) -1 9.715999 14.304331 -5.581033 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=341) -1 9.714306 13.742450 -6.396756 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=341) -1 8.745391 14.447217 -5.489540 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=342) -1 -24.397652 14.186533 2.849265 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=342) -1 -24.690575 13.412520 3.387559 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=342) -1 -23.846180 13.701380 2.179014 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=343) -1 -2.480927 -5.243836 19.193444 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=343) -1 -3.241258 -5.602735 19.693022 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=343) -1 -2.476358 -4.321322 19.526372 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=344) -1 -8.771903 20.904719 4.936133 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=344) -1 -9.441553 20.241196 4.633934 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=344) -1 -9.033371 20.963241 5.885237 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=345) -1 -12.479543 -26.419577 -3.408711 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=345) -1 -13.276487 -25.835293 -3.379546 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=345) -1 -12.825634 -27.170787 -2.869958 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=346) -1 -10.883407 -16.416581 17.313368 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=346) -1 -10.601067 -16.465562 16.356490 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=346) -1 -11.601352 -17.094228 17.275012 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=347) -1 27.434027 7.602283 -8.211777 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=347) -1 27.582378 8.556793 -8.051418 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=347) -1 27.437703 7.587365 -9.190647 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=348) -1 -15.779371 -21.521129 2.835482 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=348) -1 -15.313440 -21.438165 3.695267 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=348) -1 -16.682329 -21.248598 3.101088 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=349) -1 15.824013 1.422585 -20.464283 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=349) -1 15.637355 2.176955 -21.054988 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=349) -1 14.933463 1.213272 -20.129003 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=350) -1 20.104792 1.857412 14.331076 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=350) -1 20.610487 2.697359 14.434122 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=350) -1 20.613532 1.284021 14.948496 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=351) -1 25.126586 -14.848479 -9.557741 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=351) -1 24.416465 -15.260250 -10.102762 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=351) -1 25.009044 -13.911368 -9.803206 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=352) -1 -12.226162 3.232415 20.838844 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=352) -1 -11.415542 2.674713 20.792415 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=352) -1 -11.897363 3.991640 21.340672 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=353) -1 3.811102 -13.641895 -3.264225 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=353) -1 4.629850 -13.301765 -2.833876 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=353) -1 3.164334 -13.461731 -2.545382 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=354) -1 -11.901087 3.746429 -15.760499 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=354) -1 -12.289905 3.649767 -16.641997 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=354) -1 -11.716327 2.803497 -15.538373 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=355) -1 -20.958619 -6.899489 13.071206 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=355) -1 -19.979785 -6.808313 13.160230 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=355) -1 -21.105668 -6.197572 12.375986 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=356) -1 -26.390919 -28.763928 -5.241843 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=356) -1 -26.584790 -28.529811 -4.314335 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=356) -1 -25.565447 -28.258307 -5.382344 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=357) -1 -11.871928 -25.622345 0.179127 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=357) -1 -12.830861 -25.652054 -0.042585 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=357) -1 -11.810919 -26.333402 0.832025 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=358) -1 -9.298087 -6.915741 20.159326 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=358) -1 -8.556512 -7.496086 20.429318 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=358) -1 -9.173278 -6.175201 20.797262 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=359) -1 -8.166290 16.291995 -0.775883 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=359) -1 -8.312907 15.704746 0.002298 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=359) -1 -8.755984 15.832780 -1.422770 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=360) -1 -12.993542 29.492994 -6.660375 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=360) -1 -12.751661 28.717656 -7.228809 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=360) -1 -12.286061 29.370697 -5.968366 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=361) -1 -4.374312 -16.544853 -4.799980 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=361) -1 -4.368316 -15.752743 -4.211707 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=361) -1 -5.175563 -16.997413 -4.433835 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=362) -1 12.641507 15.340489 7.588178 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=362) -1 12.556646 16.259572 7.251154 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=362) -1 13.557761 15.139694 7.315480 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=363) -1 8.666190 -2.645497 -16.781026 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=363) -1 8.775366 -3.294001 -16.035091 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=363) -1 8.327970 -3.239046 -17.468431 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=364) -1 -21.818182 -1.724618 -14.045028 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=364) -1 -22.242904 -0.898750 -13.701188 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=364) -1 -22.576629 -2.348071 -13.914156 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=365) -1 33.382531 -4.688245 6.186912 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=365) -1 32.451878 -4.363251 6.174781 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=365) -1 33.600002 -4.545093 5.230802 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=366) -1 -24.356348 5.916829 -4.650852 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=366) -1 -25.150237 5.590849 -5.125879 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=366) -1 -24.240821 5.191842 -3.995122 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=367) -1 7.317484 15.383144 -7.862444 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=367) -1 8.172417 15.805794 -8.097159 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=367) -1 7.266011 14.710482 -8.576456 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=368) -1 -13.865842 -27.910916 -1.552378 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=368) -1 -14.614129 -28.500486 -1.409554 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=368) -1 -14.162144 -27.099344 -1.086577 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=369) -1 -3.152969 -5.751375 -13.406189 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=369) -1 -3.200562 -6.610989 -13.844006 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=369) -1 -4.089367 -5.458884 -13.454897 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=370) -1 -0.774185 6.485320 -7.276325 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=370) -1 -0.218606 6.474691 -8.073549 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=370) -1 -0.068715 6.368027 -6.583253 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=371) -1 -22.606119 -4.431000 -15.837129 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=371) -1 -21.969655 -4.894587 -15.247856 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=371) -1 -23.226512 -4.077148 -15.161464 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=372) -1 31.331884 -3.485157 17.181794 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=372) -1 31.618137 -2.984236 16.390238 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=372) -1 30.428743 -3.125654 17.295981 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=374) -1 5.734480 -13.036649 11.880842 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=374) -1 4.911678 -13.250343 12.372817 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=374) -1 5.593848 -12.075451 11.731373 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=375) -1 9.584144 13.570756 2.343192 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=375) -1 10.303714 14.151226 2.702168 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=375) -1 8.821816 14.160639 2.450274 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=376) -1 16.298663 12.897741 14.330264 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=376) -1 15.596490 12.817031 13.631265 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=376) -1 16.753873 12.037827 14.179864 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=377) -1 -29.350016 -16.115408 -12.762982 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=377) -1 -28.764444 -16.111483 -11.974062 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=377) -1 -28.764106 -15.657739 -13.407689 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=378) -1 -8.276597 -18.664620 -5.653567 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=378) -1 -8.942283 -18.020307 -5.977227 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=378) -1 -8.506470 -19.441632 -6.213758 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=379) -1 -19.958321 12.246053 -3.948877 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=379) -1 -20.329949 11.346362 -4.107799 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=379) -1 -19.121310 12.165626 -4.465597 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=380) -1 3.401547 3.764534 -6.463303 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=380) -1 3.709663 2.898582 -6.144122 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=380) -1 2.506922 3.796717 -6.034846 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=381) -1 -14.307225 18.269655 9.480080 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=381) -1 -14.610379 19.036891 8.946185 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=381) -1 -15.174770 18.013165 9.892353 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=382) -1 34.392230 -3.098367 -1.837810 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=382) -1 34.136176 -4.045758 -1.767551 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=382) -1 34.061006 -2.879608 -2.717268 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=383) -1 -12.279893 -5.940806 -13.205958 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=383) -1 -12.497741 -6.581310 -13.920853 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=383) -1 -13.189145 -5.719031 -12.907193 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=384) -1 -7.383802 -8.795620 20.901994 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=384) -1 -7.375067 -8.931208 21.864730 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=384) -1 -6.447579 -8.470544 20.780606 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=385) -1 11.872363 18.453788 14.809663 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=385) -1 11.751236 17.523703 14.479013 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=385) -1 12.697293 18.683045 14.359368 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=386) -1 35.523036 0.533039 1.307498 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=386) -1 34.902349 0.980530 0.686819 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=386) -1 35.748686 -0.258460 0.757344 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=387) -1 -18.652577 16.844466 8.977712 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=387) -1 -18.572528 16.598029 8.035142 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=387) -1 -19.624563 17.004594 9.030984 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=388) -1 -21.685716 23.641725 9.729412 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=388) -1 -22.307744 22.888330 9.884294 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=388) -1 -21.828834 24.158852 10.531985 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=389) -1 13.193119 10.061101 15.611148 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=389) -1 13.780773 9.955862 14.823359 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=389) -1 13.598474 10.878787 15.994146 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=390) -1 -19.185951 -4.995435 -11.767642 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=390) -1 -19.766973 -5.046957 -10.972875 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=390) -1 -19.270417 -4.031911 -11.962786 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=391) -1 1.067450 10.846920 0.606275 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=391) -1 1.979547 10.490996 0.418992 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=391) -1 0.817036 10.215986 1.325852 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=392) -1 -4.636668 6.678726 17.847371 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=392) -1 -3.874830 7.246155 18.045731 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=392) -1 -4.162828 5.928963 17.384990 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=393) -1 -12.209299 0.267171 19.228910 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=393) -1 -12.469031 1.010102 18.643300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=393) -1 -12.546963 -0.490272 18.683772 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=394) -1 -10.503735 28.787437 -13.768909 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=394) -1 -10.002746 29.612377 -13.791591 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=394) -1 -11.388462 29.110171 -13.483910 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=395) -1 -31.586299 -22.492524 -4.765407 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=395) -1 -31.149934 -22.362264 -3.893328 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=395) -1 -31.252591 -23.396748 -4.976998 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=396) -1 20.458541 -2.747165 -16.602696 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=396) -1 19.782563 -3.447412 -16.781882 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=396) -1 20.226629 -2.532357 -15.674924 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=397) -1 -2.430848 -8.218783 16.796032 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=397) -1 -3.411076 -8.091739 16.843525 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=397) -1 -2.386137 -9.027356 16.246193 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=398) -1 8.310871 6.502278 7.885732 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=398) -1 7.800274 6.181794 8.677893 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=398) -1 8.343839 7.450364 8.084287 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=399) -1 -3.663525 -14.207538 -12.669830 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=399) -1 -4.413647 -13.848201 -13.205725 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=399) -1 -3.604523 -15.107003 -13.055044 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=400) -1 -24.105479 1.020015 1.866847 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=400) -1 -24.181744 0.125644 1.462294 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=400) -1 -23.894285 0.754456 2.797648 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=401) -1 -14.430618 -16.028359 15.543406 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=401) -1 -15.395528 -16.123503 15.536867 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=401) -1 -14.303745 -15.632487 16.446507 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=402) -1 26.488107 5.565521 -3.901557 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=402) -1 27.138364 5.729125 -4.638071 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=402) -1 25.693000 5.390168 -4.464130 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=403) -1 -4.440802 -1.608505 22.605099 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=403) -1 -3.988547 -1.402932 23.438362 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=403) -1 -5.031978 -0.807465 22.536733 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=404) -1 -30.569133 -14.987361 -1.441443 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=404) -1 -30.768050 -14.599875 -2.321562 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=404) -1 -31.096095 -15.810084 -1.487252 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=405) -1 -0.059046 -15.423362 2.132680 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=405) -1 -0.304390 -15.572442 3.073433 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=405) -1 -0.876385 -14.971472 1.816243 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=406) -1 -23.166866 20.326620 4.374624 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=406) -1 -23.224927 19.563447 4.989593 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=406) -1 -22.953289 19.856880 3.537067 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=407) -1 -14.657231 -17.707396 9.568670 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=407) -1 -15.359670 -17.328683 8.993801 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=407) -1 -14.558906 -16.948075 10.205128 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=408) -1 12.779967 5.811549 -18.813848 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=408) -1 13.163816 5.542172 -17.949488 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=408) -1 12.646939 4.926436 -19.217504 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=409) -1 6.769879 -5.703513 1.174788 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=409) -1 7.367346 -6.353474 0.715077 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=409) -1 6.423365 -5.252860 0.357777 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=410) -1 16.802934 20.097799 3.346585 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=410) -1 16.226162 20.200455 2.543723 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=410) -1 17.170324 19.196671 3.125186 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=411) -1 10.887501 -1.523509 -15.620902 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=411) -1 10.303004 -1.263763 -14.866453 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=411) -1 10.204154 -1.926522 -16.207680 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=412) -1 8.467573 -7.137383 -7.177220 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=412) -1 9.426830 -6.905087 -7.218938 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=412) -1 8.313364 -7.008366 -6.212814 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=413) -1 -26.687691 1.847632 2.195396 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=413) -1 -26.815995 1.206627 2.938875 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=413) -1 -25.744323 1.644554 1.986487 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=414) -1 10.083978 4.918970 11.502039 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=414) -1 10.438757 5.258281 10.654606 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=414) -1 10.633214 5.418640 12.140277 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=415) -1 22.459199 15.853028 -4.273607 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=415) -1 21.604229 16.295119 -4.475838 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=415) -1 22.284034 15.555072 -3.357391 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=416) -1 -22.219604 -25.596566 -3.474548 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=416) -1 -22.567077 -24.790454 -3.933776 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=416) -1 -21.311073 -25.607589 -3.826992 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=417) -1 20.932505 -17.817360 -13.955953 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=417) -1 20.010048 -17.924220 -14.276092 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=417) -1 21.071658 -16.876288 -14.260055 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=418) -1 24.216129 19.844146 -10.866267 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=418) -1 24.228954 18.901234 -10.576486 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=418) -1 23.545963 20.205118 -10.273964 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=419) -1 -21.318233 -7.659346 -11.007075 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=419) -1 -20.373550 -7.815786 -11.238408 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=419) -1 -21.210433 -6.921812 -10.369528 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=420) -1 13.842753 15.139141 4.518765 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=420) -1 14.426855 14.749218 5.195555 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=420) -1 14.293717 16.005470 4.378783 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=421) -1 5.842241 -12.522574 -1.765955 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=421) -1 6.772420 -12.600057 -1.468849 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=421) -1 5.620300 -11.627839 -1.461431 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=422) -1 -15.381144 5.225585 -11.410307 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=422) -1 -14.916145 6.073095 -11.584988 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=422) -1 -15.343767 4.830925 -12.311946 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=423) -1 -3.632480 -17.664980 -7.122589 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=423) -1 -3.909236 -17.151860 -6.318593 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=423) -1 -4.319002 -18.353859 -7.120406 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=424) -1 -9.613075 28.930731 -2.831337 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=424) -1 -8.822827 28.481258 -2.447640 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=424) -1 -10.187268 28.972529 -2.044281 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=425) -1 -7.745987 23.526136 -10.813806 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=425) -1 -7.120888 22.849063 -10.454385 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=425) -1 -7.764552 24.138501 -10.039639 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=426) -1 31.359363 11.259047 0.104824 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=426) -1 31.143570 11.423339 -0.841283 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=426) -1 31.927370 10.455973 0.001372 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=427) -1 -8.122871 -16.848065 -13.043567 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=427) -1 -7.245289 -16.753781 -12.610664 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=427) -1 -8.574103 -16.051656 -12.697890 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=428) -1 23.892301 0.594871 -9.453444 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=428) -1 24.250412 1.113952 -8.697522 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=428) -1 24.060732 1.251517 -10.176743 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=429) -1 -17.860874 -2.699818 17.089109 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=429) -1 -18.363341 -2.345900 16.338403 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=429) -1 -18.312973 -3.573707 17.200822 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=430) -1 -24.958483 -3.632764 -0.925846 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=430) -1 -24.692271 -4.358874 -0.322221 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=430) -1 -24.337891 -3.809420 -1.678748 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=431) -1 13.237115 -18.258384 1.178287 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=431) -1 13.152455 -17.346134 1.556282 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=431) -1 14.200447 -18.230746 0.951633 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=432) -1 -21.305974 17.406489 8.856329 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=432) -1 -21.740578 18.278658 8.947495 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=432) -1 -22.087737 16.837981 8.699387 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=433) -1 18.370858 2.096734 -20.068846 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=433) -1 18.138137 3.011870 -19.803313 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=433) -1 17.461423 1.738754 -20.229597 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=434) -1 -20.730203 6.074261 -5.773353 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=434) -1 -21.546886 5.923078 -6.320707 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=434) -1 -20.490601 5.111404 -5.638093 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=435) -1 -7.941675 25.528697 -12.670383 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=435) -1 -7.876014 24.719323 -12.109204 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=435) -1 -7.065094 25.527799 -13.084872 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=436) -1 9.017169 -8.281842 -9.572027 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=436) -1 8.703799 -8.073217 -8.660500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=436) -1 9.827248 -8.793111 -9.350019 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=437) -1 -5.300587 -1.441014 -10.999284 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=437) -1 -5.644679 -1.044225 -11.830973 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=437) -1 -4.977852 -0.620460 -10.555543 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=438) -1 20.098744 10.011939 12.840471 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=438) -1 20.460688 10.932681 12.829586 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=438) -1 20.745372 9.599236 12.210301 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=439) -1 23.863932 17.409883 -9.715965 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=439) -1 23.282352 17.481172 -8.924115 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=439) -1 23.949161 16.438448 -9.775689 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=440) -1 -17.551999 12.872495 -8.974543 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=440) -1 -18.378249 13.373725 -8.801846 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=440) -1 -17.829747 11.980806 -8.669917 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=441) -1 10.617400 15.146937 -3.025815 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=441) -1 10.257988 14.275302 -2.760152 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=441) -1 10.302908 15.185305 -3.952638 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=442) -1 6.360611 -6.358715 -8.715278 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=442) -1 7.093222 -6.709370 -8.152608 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=442) -1 6.235437 -5.484285 -8.264587 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=443) -1 -11.759122 -9.664118 -15.781722 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=443) -1 -11.121444 -10.045506 -15.135570 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=443) -1 -11.778653 -10.359692 -16.451948 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=444) -1 12.833671 -19.809445 -2.778331 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=444) -1 12.232017 -19.430041 -2.102798 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=444) -1 13.527903 -20.188059 -2.190967 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=445) -1 15.482891 -12.424231 10.687875 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=445) -1 16.407848 -12.118038 10.877253 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=445) -1 15.677188 -13.391190 10.595186 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=446) -1 -21.497006 -9.255544 9.512723 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=446) -1 -22.204445 -8.591748 9.700885 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=446) -1 -21.084131 -8.814251 8.729946 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=447) -1 -15.490995 14.467310 -6.074612 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=447) -1 -15.313225 13.546826 -5.773125 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=447) -1 -15.378488 14.343503 -7.044593 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=448) -1 29.114080 8.226028 14.011833 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=448) -1 30.002630 7.993968 14.402096 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=448) -1 28.711190 7.326392 14.040852 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=449) -1 9.237715 -6.200642 3.970429 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=449) -1 9.204981 -5.326909 3.518203 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=449) -1 9.925791 -6.012610 4.645018 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=450) -1 -10.119869 15.221129 -2.298659 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=450) -1 -10.492099 14.601713 -2.981192 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=450) -1 -10.699260 14.940515 -1.540299 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=451) -1 -18.736737 26.206097 -4.850762 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=451) -1 -18.816064 26.785705 -5.653235 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=451) -1 -18.897748 25.332866 -5.311595 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=452) -1 -15.177683 11.888700 -5.276293 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=452) -1 -14.711398 11.996486 -4.400761 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=452) -1 -14.729728 11.059473 -5.565796 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=453) -1 22.514008 -6.772081 -13.079308 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=453) -1 23.329833 -6.944890 -12.534389 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=453) -1 22.496967 -5.785027 -12.991684 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=454) -1 -11.270593 5.011202 -8.743964 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=454) -1 -10.536795 4.490370 -9.127986 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=454) -1 -12.041488 4.479207 -9.044011 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=455) -1 24.566711 -4.034888 -16.884239 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=455) -1 23.915205 -3.704200 -17.556437 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=455) -1 24.513846 -3.266338 -16.256983 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=456) -1 -8.248104 20.599440 0.420261 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=456) -1 -8.024550 20.878867 1.334905 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=456) -1 -9.229885 20.526938 0.505303 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=457) -1 -6.933566 5.064712 -9.469068 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=457) -1 -7.813467 4.815255 -9.857505 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=457) -1 -6.363484 4.496445 -10.054032 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=458) -1 -20.964275 13.997001 -5.717920 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=458) -1 -20.237302 14.640595 -5.519250 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=458) -1 -20.736557 13.322892 -5.022709 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=459) -1 -19.034856 28.051843 1.390479 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=459) -1 -19.875428 27.718534 1.007953 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=459) -1 -18.918338 27.387798 2.118277 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=460) -1 -13.310620 -1.544280 17.623113 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=460) -1 -14.281044 -1.409780 17.568006 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=460) -1 -13.223684 -2.459949 17.323670 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=461) -1 -26.704543 -0.033946 -10.254417 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=461) -1 -26.925027 -0.982263 -10.067484 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=461) -1 -27.169989 0.081925 -11.100602 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=462) -1 11.665912 17.706155 4.207709 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=462) -1 12.237948 18.366438 3.753260 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=462) -1 12.005758 17.791746 5.123372 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=463) -1 -22.804825 22.815355 -7.241756 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=463) -1 -23.736736 22.507544 -7.379511 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=463) -1 -22.735255 23.440669 -7.999209 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=464) -1 8.491683 -12.952079 -0.875690 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=464) -1 9.199817 -12.488380 -0.380501 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=464) -1 9.053443 -13.403080 -1.561575 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=465) -1 -5.735106 -4.881237 -13.194352 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=465) -1 -6.188102 -4.108421 -13.608401 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=465) -1 -5.532212 -4.494803 -12.310668 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=466) -1 -11.751453 21.373509 -12.100581 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=466) -1 -11.281376 20.709830 -11.534960 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=466) -1 -12.239731 20.745981 -12.686909 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=467) -1 27.271983 7.953163 -11.028295 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=467) -1 27.318930 7.880382 -12.016471 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=467) -1 26.623047 8.700491 -10.969852 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=468) -1 8.718730 -2.905851 -9.972122 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=468) -1 8.777848 -3.860677 -9.741372 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=468) -1 7.914045 -2.660593 -9.456223 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=469) -1 11.469297 -15.481269 8.309541 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=469) -1 12.245028 -14.884798 8.355741 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=469) -1 11.841073 -16.205090 7.758503 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=470) -1 21.787068 12.779387 -14.657088 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=470) -1 22.462672 12.249819 -14.162839 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=470) -1 22.239821 13.629377 -14.720006 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=471) -1 -14.391241 26.417351 -9.492112 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=471) -1 -15.262284 26.726346 -9.141812 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=471) -1 -14.119829 27.205788 -9.996128 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=472) -1 3.445766 6.912704 6.186513 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=472) -1 4.412032 6.817875 6.372526 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=472) -1 3.269774 5.980681 5.893544 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=473) -1 -16.862030 20.324259 -0.784812 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=473) -1 -15.887913 20.197671 -0.927072 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=473) -1 -17.185929 19.772303 -1.532061 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=474) -1 -9.269740 -1.357082 -14.698143 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=474) -1 -8.686157 -2.122041 -14.570527 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=474) -1 -10.140763 -1.723117 -14.469615 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=475) -1 -24.475160 -16.783924 -15.442232 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=475) -1 -24.638034 -15.874842 -15.098830 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=475) -1 -23.543023 -16.723005 -15.688291 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=476) -1 -12.316277 -23.030996 0.969168 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=476) -1 -11.892447 -22.393178 0.347239 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=476) -1 -11.975259 -23.875623 0.606242 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=477) -1 2.973720 3.148295 -11.708873 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=477) -1 3.176584 3.409814 -10.771025 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=477) -1 3.819338 3.437168 -12.125272 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=478) -1 11.090899 -6.807460 -7.785946 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=478) -1 11.366458 -7.682760 -8.121885 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=478) -1 11.608080 -6.211645 -8.359513 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=479) -1 11.422081 -18.382996 -0.880519 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=479) -1 12.107023 -18.429177 -0.171621 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=479) -1 10.691327 -17.967143 -0.361507 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=480) -1 0.688895 -15.293347 -7.155042 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=480) -1 0.135771 -16.032386 -6.833462 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=480) -1 1.080168 -14.983302 -6.308029 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=481) -1 5.605636 7.277115 -2.318428 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=481) -1 5.672958 7.878167 -1.539709 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=481) -1 6.523509 6.913767 -2.317448 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=482) -1 25.226291 7.965177 -14.829276 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=482) -1 24.653498 7.315691 -14.363278 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=482) -1 24.579737 8.632897 -15.091533 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=483) -1 -18.765728 24.404129 -17.854119 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=483) -1 -19.498417 24.173952 -18.435524 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=483) -1 -19.183367 24.345382 -16.970427 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=484) -1 -27.557339 -7.597690 -7.980147 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=484) -1 -27.927068 -6.750452 -8.348585 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=484) -1 -27.532283 -7.336970 -7.028075 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=485) -1 -28.936895 22.442833 -1.156556 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=485) -1 -29.238700 22.515936 -0.230590 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=485) -1 -29.480349 21.688445 -1.469943 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=486) -1 -16.229016 24.290498 -16.907298 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=486) -1 -17.051628 24.333828 -17.456143 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=486) -1 -16.255070 25.215139 -16.539209 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=487) -1 -20.031203 -9.252786 11.772477 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=487) -1 -20.554292 -8.553797 12.217565 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=487) -1 -20.566270 -9.358883 10.947823 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=488) -1 -7.897896 26.470892 0.913339 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=488) -1 -8.072741 25.511806 1.070891 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=488) -1 -7.334011 26.677199 1.672857 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=489) -1 3.652945 -5.525130 -8.346932 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=489) -1 4.293123 -4.834240 -8.054165 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=489) -1 4.282251 -6.162089 -8.747027 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=490) -1 27.272830 3.470065 -7.452185 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=490) -1 27.667578 3.418700 -8.352358 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=490) -1 26.417137 3.023205 -7.612979 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=491) -1 -13.708703 18.053836 4.668463 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=491) -1 -13.115281 17.283366 4.866208 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=491) -1 -13.285479 18.711619 5.283645 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=492) -1 -11.368207 -24.692250 -5.379152 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=492) -1 -10.831212 -24.226325 -4.707225 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=492) -1 -11.726731 -25.428598 -4.844450 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=493) -1 0.683372 -13.491444 13.970759 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=493) -1 0.277341 -14.163485 14.566778 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=493) -1 -0.064138 -13.389542 13.330852 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=494) -1 10.939584 -12.729106 6.635353 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=494) -1 11.677282 -13.162703 7.121160 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=494) -1 11.311851 -11.823309 6.554286 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=495) -1 12.738783 16.266896 -1.624268 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=495) -1 12.635858 15.774496 -0.787204 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=495) -1 11.962413 15.926715 -2.125277 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=496) -1 -18.188568 15.023623 -0.000511 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=496) -1 -17.293227 14.611499 0.025031 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=496) -1 -18.391721 14.906143 -0.956982 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=497) -1 -16.179933 -7.857247 -12.482863 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=497) -1 -15.437201 -8.487803 -12.595023 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=497) -1 -15.692378 -7.005361 -12.555314 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=498) -1 27.381401 9.816642 -5.009121 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=498) -1 27.084748 9.952072 -4.086346 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=498) -1 26.778893 9.083726 -5.277304 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=499) -1 5.478907 -15.267509 7.187237 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=499) -1 5.880248 -14.908714 8.014895 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=499) -1 6.295915 -15.650379 6.780229 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=500) -1 11.806484 15.996103 13.784510 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=500) -1 11.296731 15.633075 13.016248 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=500) -1 12.238542 15.160131 14.081221 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=501) -1 -25.800102 20.648113 3.286162 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=501) -1 -25.655759 19.678311 3.118058 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=501) -1 -25.004580 20.820033 3.838173 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=502) -1 27.791135 12.088696 -1.135530 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=502) -1 28.163902 12.548689 -0.351293 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=502) -1 27.523487 12.872885 -1.676291 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=503) -1 4.558503 -0.843279 -7.169194 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=503) -1 4.833802 -0.086242 -6.626433 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=503) -1 4.793530 -1.593015 -6.564542 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=504) -1 -24.627931 16.207762 4.607196 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=504) -1 -24.470257 15.507447 3.917289 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=504) -1 -24.935729 15.606677 5.336280 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=505) -1 25.915737 14.988235 13.048391 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=505) -1 26.138696 14.749585 12.120421 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=505) -1 26.394128 14.265012 13.518327 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=506) -1 -22.178526 9.883672 7.891653 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=506) -1 -21.843670 9.423432 8.702253 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=506) -1 -21.501238 9.561932 7.246154 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=507) -1 14.095372 -18.895769 -9.729566 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=507) -1 15.054386 -18.763995 -9.551664 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=507) -1 13.909853 -18.080573 -10.240639 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=508) -1 -27.619016 0.400099 -7.540530 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=508) -1 -27.555269 -0.577411 -7.354881 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=508) -1 -27.353793 0.396912 -8.481285 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=509) -1 12.830544 -10.621620 6.669517 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=509) -1 13.118440 -10.664882 7.610773 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=509) -1 13.665163 -10.875939 6.225243 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=511) -1 21.813128 11.697866 4.176743 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=511) -1 20.903085 11.945580 4.445667 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=511) -1 22.148878 11.339476 5.031641 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=512) -1 31.008879 4.648813 14.997556 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=512) -1 31.779507 4.283710 14.506257 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=512) -1 30.725131 3.815746 15.467676 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=513) -1 -29.808396 -2.127781 -5.691794 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=513) -1 -29.057610 -2.260321 -6.312626 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=513) -1 -29.714071 -2.952139 -5.152205 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=514) -1 -16.919764 29.572208 2.414032 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=514) -1 -17.797377 29.219976 2.164274 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=514) -1 -16.606626 28.871431 3.017681 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=515) -1 28.865294 -8.625245 -13.025321 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=515) -1 28.624736 -9.440456 -13.500105 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=515) -1 28.025986 -8.127941 -13.082042 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=516) -1 13.984382 10.264472 -15.213915 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=516) -1 14.787160 10.068594 -14.690386 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=516) -1 13.584112 10.975203 -14.679404 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=517) -1 0.637707 11.869545 -1.873433 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=517) -1 -0.049518 11.195182 -2.087750 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=517) -1 0.920735 11.529018 -0.992641 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=518) -1 -6.267796 -7.448186 -12.632665 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=518) -1 -5.740102 -7.381215 -11.807122 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=518) -1 -6.147073 -6.534503 -12.979740 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=519) -1 -3.704606 -19.821656 10.400047 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=519) -1 -3.632452 -18.876531 10.151939 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=519) -1 -4.565791 -20.045200 9.989194 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=520) -1 33.583041 -5.707798 -1.803757 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=520) -1 33.351670 -5.899204 -2.753337 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=520) -1 33.076120 -6.447126 -1.387306 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=521) -1 -21.188774 -21.876235 -0.894004 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=521) -1 -21.751220 -22.663487 -1.094838 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=521) -1 -20.510568 -21.985189 -1.603290 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=522) -1 32.438933 -7.882723 -0.625655 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=522) -1 32.865431 -7.756473 0.257500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=522) -1 32.771605 -8.761149 -0.860827 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=523) -1 -21.386496 9.038723 -9.248704 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=523) -1 -21.995897 8.284735 -9.440962 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=523) -1 -20.936878 8.684358 -8.450535 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=524) -1 -2.630790 11.162319 -0.348104 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=524) -1 -2.028995 11.887111 -0.076237 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=524) -1 -2.091995 10.746818 -1.059026 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=525) -1 -13.988824 15.666980 0.696267 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=525) -1 -14.727040 15.106617 0.379208 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=525) -1 -14.469103 16.213935 1.362984 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=526) -1 -13.362232 8.442718 1.646430 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=526) -1 -13.775227 9.295724 1.386217 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=526) -1 -13.201921 8.042914 0.772732 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=527) -1 -24.268348 2.372783 8.744402 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=527) -1 -24.908801 1.824519 8.225221 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=527) -1 -23.798419 2.812749 8.002588 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=528) -1 -8.749576 -0.025404 22.065520 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=528) -1 -8.438874 -0.646248 21.369765 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=528) -1 -9.238968 0.621448 21.507941 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=529) -1 10.613243 -12.981941 -5.773529 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=529) -1 10.949811 -13.709122 -6.353248 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=529) -1 9.819684 -13.429188 -5.403104 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=530) -1 33.723056 6.568517 13.691424 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=530) -1 33.522373 5.606751 13.613372 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=530) -1 34.259829 6.709724 12.902249 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=531) -1 -9.441249 6.299155 16.727770 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=531) -1 -9.657218 5.499142 16.207209 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=531) -1 -8.524162 6.471611 16.430056 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=532) -1 30.462703 3.105916 7.447953 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=532) -1 30.424980 2.905343 6.483323 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=532) -1 29.908685 3.915678 7.469533 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=533) -1 16.925652 -17.963112 -4.355061 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=533) -1 17.880960 -17.879312 -4.571774 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=533) -1 16.534030 -17.821341 -5.243427 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=534) -1 -8.594182 16.139508 15.971225 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=534) -1 -8.286515 15.199629 16.039960 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=534) -1 -7.819746 16.600184 16.326725 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=535) -1 -18.514168 14.993140 -5.058841 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=535) -1 -18.100846 14.123383 -5.277784 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=535) -1 -17.914412 15.585310 -5.565631 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=536) -1 -9.008176 25.018372 -2.185912 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=536) -1 -8.654165 24.141382 -1.902039 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=536) -1 -8.982044 24.893265 -3.162843 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=537) -1 -17.728616 21.085326 1.651985 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=537) -1 -16.988969 20.591180 2.101441 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=537) -1 -17.490721 20.832445 0.715552 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=538) -1 20.996642 19.750693 -6.822271 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=538) -1 20.674175 19.836938 -5.905409 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=538) -1 20.161904 19.482095 -7.271248 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=539) -1 9.990646 15.669892 -8.685607 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=539) -1 10.627956 16.263178 -8.213919 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=539) -1 10.185518 14.825270 -8.233332 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=540) -1 -26.631780 -22.493192 0.001897 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=540) -1 -25.752986 -22.615266 0.421583 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=540) -1 -26.651766 -23.288361 -0.577034 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=541) -1 5.207727 -12.416424 4.080324 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=541) -1 5.657129 -11.530308 4.046462 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=541) -1 6.033006 -12.978090 4.111538 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=542) -1 -22.870196 19.139000 1.928155 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=542) -1 -23.733032 18.707456 2.120475 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=542) -1 -22.365262 18.349979 1.611378 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=543) -1 0.503245 -5.547278 16.727868 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=543) -1 0.362169 -6.112581 17.514651 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=543) -1 1.431827 -5.259179 16.881896 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=544) -1 17.251411 -5.997559 14.878693 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=544) -1 17.321627 -6.844532 15.348993 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=544) -1 18.161829 -5.946148 14.488108 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=545) -1 15.951538 -16.488609 -11.544560 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=545) -1 16.269884 -16.978417 -10.756010 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=545) -1 15.040875 -16.270357 -11.253829 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=546) -1 16.251833 -17.274498 5.777818 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=546) -1 16.558283 -17.918922 5.126999 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=546) -1 15.475350 -16.888741 5.309106 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=547) -1 9.923996 -0.694590 -11.003888 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=547) -1 10.780622 -0.668095 -10.554440 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=547) -1 9.507009 -1.471348 -10.561262 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=548) -1 -16.427752 -17.058322 7.533100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=548) -1 -16.131649 -16.362950 6.899624 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=548) -1 -17.404223 -16.963764 7.424459 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=549) -1 29.281136 7.772913 6.496612 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=549) -1 29.982191 8.142594 7.097887 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=549) -1 29.860794 7.526919 5.736275 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=550) -1 23.764538 9.060942 -3.710471 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=550) -1 23.264910 9.285334 -4.543549 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=550) -1 24.095597 9.980790 -3.518463 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=551) -1 23.507107 -13.837198 3.509216 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=551) -1 23.216503 -14.588480 4.069628 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=551) -1 22.913067 -13.972088 2.733404 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=552) -1 30.136276 7.764250 -12.552467 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=552) -1 30.010593 6.882657 -12.158159 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=552) -1 29.356606 7.811475 -13.144078 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=553) -1 33.028488 3.994027 13.196602 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=553) -1 33.516394 3.200033 12.861220 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=553) -1 32.399382 4.094587 12.430842 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=554) -1 -25.162038 14.264279 6.400388 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=554) -1 -25.246941 13.599331 5.668300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=554) -1 -25.255281 13.621991 7.161277 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=555) -1 -18.968958 27.661859 -7.118851 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=555) -1 -19.714685 27.233623 -7.603915 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=555) -1 -19.408721 28.475471 -6.803278 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=556) -1 0.411516 2.048959 -11.514807 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=556) -1 1.190112 2.636859 -11.654339 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=556) -1 0.886957 1.220469 -11.264486 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=557) -1 -9.750767 20.917596 7.489325 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=557) -1 -10.575484 21.008107 8.021121 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=557) -1 -9.140604 20.575466 8.158046 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=558) -1 -16.347735 19.144855 -12.450278 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=558) -1 -15.619290 18.510977 -12.670299 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=558) -1 -17.033720 18.476969 -12.180226 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=559) -1 14.195518 -2.702426 14.117612 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=559) -1 14.265122 -2.562698 13.149011 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=559) -1 14.031017 -1.775220 14.407515 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=560) -1 -13.610273 32.161985 -7.009210 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=560) -1 -14.024115 32.308918 -6.134621 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=560) -1 -13.208474 31.278507 -6.861731 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=561) -1 -11.590819 -14.321931 18.824480 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=561) -1 -11.281390 -15.054476 18.237936 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=561) -1 -11.203514 -13.553813 18.344291 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=562) -1 24.946252 11.081780 14.345410 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=562) -1 24.269040 10.601951 14.839768 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=562) -1 24.412850 11.464222 13.612353 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=563) -1 -14.561898 31.819200 -12.083799 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=563) -1 -15.278043 31.220166 -12.431177 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=563) -1 -14.796221 32.638981 -12.544967 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=564) -1 17.346903 4.227856 11.996018 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=564) -1 18.193633 4.714399 12.089337 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=564) -1 17.693962 3.306015 11.967518 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=565) -1 -10.197733 26.152035 -14.141677 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=565) -1 -10.252156 27.137836 -14.049030 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=565) -1 -9.371877 25.995049 -13.628461 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=566) -1 -16.168576 0.794498 -14.848087 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=566) -1 -16.359512 0.963153 -15.803761 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=566) -1 -17.069893 1.012869 -14.486448 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=567) -1 -8.856906 1.253851 -14.401906 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=567) -1 -9.735278 1.487006 -14.772551 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=567) -1 -8.892760 0.270446 -14.540005 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=568) -1 14.999903 20.681899 -1.502355 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=568) -1 15.812346 20.701762 -2.061326 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=568) -1 14.489616 19.995701 -1.984473 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=569) -1 26.776139 -8.652352 -18.971201 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=569) -1 26.272454 -7.816305 -18.866280 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=569) -1 26.447404 -9.149145 -18.193564 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=570) -1 8.235647 -5.555209 -12.581649 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=570) -1 7.600973 -6.291661 -12.385314 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=570) -1 8.725570 -5.561513 -11.722101 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=571) -1 -22.253438 -5.046562 6.756261 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=571) -1 -22.761603 -5.873672 6.846069 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=571) -1 -21.795807 -5.050778 7.645109 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=572) -1 17.179542 -2.172091 -17.827447 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=572) -1 17.848228 -1.529505 -18.156060 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=572) -1 17.727347 -2.973851 -17.739053 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=573) -1 -27.924636 20.131547 1.519623 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=573) -1 -28.488870 20.921063 1.670812 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=573) -1 -27.304932 20.214739 2.274013 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=574) -1 16.691401 -14.872282 10.224886 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=574) -1 16.719967 -15.254215 9.320164 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=574) -1 17.648512 -14.742448 10.383283 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=575) -1 27.270554 13.886847 -3.043254 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=575) -1 26.538444 13.911415 -3.697133 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=575) -1 28.025598 13.703838 -3.649126 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=576) -1 -19.489618 24.144529 -15.221481 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=576) -1 -18.655622 23.616664 -15.143473 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=576) -1 -20.016400 23.712766 -14.520583 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=577) -1 -19.976019 26.634714 -2.494718 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=577) -1 -19.664735 26.335428 -3.389910 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=577) -1 -20.179956 27.581089 -2.741234 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=578) -1 -25.317946 -5.539696 -11.575992 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=578) -1 -24.466581 -5.882982 -11.921820 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=578) -1 -25.687129 -6.374186 -11.191611 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=579) -1 -23.820734 -3.466826 -13.546629 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=579) -1 -24.695747 -3.213303 -13.165489 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=579) -1 -23.657326 -4.292608 -13.040817 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=580) -1 -16.679826 11.044772 4.331319 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=580) -1 -16.003042 11.158613 5.041154 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=580) -1 -16.198241 11.485036 3.590361 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=581) -1 3.809018 -14.557392 5.242594 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=581) -1 4.429354 -14.869319 5.956244 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=581) -1 4.419490 -13.933117 4.784644 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=582) -1 -13.915344 30.995065 -9.549349 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=582) -1 -14.133973 31.502008 -10.359539 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=582) -1 -13.725560 31.722009 -8.922188 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=583) -1 18.606100 18.556826 -7.452198 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=583) -1 17.656953 18.281812 -7.469517 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=583) -1 19.024882 17.659553 -7.404236 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=584) -1 4.669460 -9.834193 -0.846887 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=584) -1 5.365391 -9.755982 -0.146696 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=584) -1 4.796401 -8.958031 -1.286470 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=585) -1 -16.726649 11.084223 0.135953 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=585) -1 -15.778796 10.931232 0.383811 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=585) -1 -17.148155 10.422693 0.737485 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=586) -1 6.076222 -7.556896 3.058045 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=586) -1 6.100225 -7.123601 3.933304 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=586) -1 6.337962 -6.797391 2.483664 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=587) -1 -8.231632 -19.879839 7.298894 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=587) -1 -8.000137 -18.899321 7.278576 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=587) -1 -7.609870 -20.130257 8.030804 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=588) -1 -12.865180 28.638551 -10.292016 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=588) -1 -12.461062 28.297781 -9.464187 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=588) -1 -13.224693 29.497670 -9.951352 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=589) -1 10.646735 6.933624 -17.473454 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=589) -1 11.324823 6.646752 -18.126873 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=589) -1 11.221717 7.485406 -16.886949 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=590) -1 26.425110 10.183977 -2.452617 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=590) -1 26.918463 10.840006 -1.892750 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=590) -1 25.677232 10.773626 -2.730541 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=591) -1 7.755197 3.735142 -14.431406 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=591) -1 7.822046 2.798114 -14.722438 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=591) -1 8.179396 4.179745 -15.198834 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=592) -1 -10.400668 -12.180638 17.638901 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=592) -1 -9.954520 -11.584094 18.279538 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=592) -1 -10.932886 -11.508908 17.141995 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=593) -1 32.370473 5.096630 -3.343448 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=593) -1 31.476945 5.323697 -3.710220 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=593) -1 32.922040 5.249439 -4.123814 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=594) -1 29.454421 0.278026 -7.761363 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=594) -1 30.050232 -0.290298 -8.265741 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=594) -1 28.579186 -0.089057 -8.014076 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=595) -1 27.080762 12.698003 13.972511 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=595) -1 26.342555 12.147804 14.331089 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=595) -1 27.841201 12.118904 14.231681 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=596) -1 -23.295010 4.520281 -11.618297 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=596) -1 -23.982172 4.567310 -10.915902 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=596) -1 -22.940285 3.618091 -11.443498 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=597) -1 27.465455 10.418990 -8.795412 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=597) -1 28.293355 10.329223 -9.324768 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=597) -1 26.804910 10.411040 -9.520994 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=598) -1 -8.892323 11.992318 2.249994 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=598) -1 -9.059575 11.025742 2.160720 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=598) -1 -9.587616 12.197330 2.935090 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=599) -1 18.921811 13.699030 13.583835 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=599) -1 18.079799 13.780417 14.071895 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=599) -1 19.361832 14.540924 13.835235 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=600) -1 7.063656 -9.479694 9.669648 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=600) -1 7.848734 -9.126529 10.113418 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=600) -1 7.239296 -9.197555 8.740664 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=601) -1 6.640125 -14.079970 9.343170 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=601) -1 7.576843 -14.078653 9.035500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=601) -1 6.767523 -13.853670 10.286554 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=602) -1 -7.215263 -14.679264 19.596943 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=602) -1 -7.411631 -15.241771 18.818488 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=602) -1 -8.068096 -14.758755 20.083063 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=603) -1 1.605487 -13.513769 1.160705 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=603) -1 1.128220 -14.304055 1.503564 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=603) -1 1.990515 -13.173993 1.997219 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=604) -1 -8.822106 -15.823106 -3.916505 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=604) -1 -9.212700 -16.222010 -4.731475 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=604) -1 -8.930544 -14.862779 -4.166193 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=605) -1 -7.613872 13.166375 6.152896 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=605) -1 -8.409212 13.739334 6.096368 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=605) -1 -7.308528 13.218078 5.217651 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=606) -1 11.289642 -10.446962 -6.119749 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=606) -1 11.200979 -10.213081 -5.172427 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=606) -1 11.002298 -11.397671 -6.071701 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=607) -1 -12.116153 7.284635 -9.928923 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=607) -1 -12.596293 7.608911 -9.132546 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=607) -1 -11.700470 6.475730 -9.540489 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=608) -1 -26.665615 21.005935 -0.739353 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=608) -1 -27.092435 20.527092 0.011339 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=608) -1 -27.384874 21.654554 -0.934337 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=609) -1 13.558077 19.411463 3.195832 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=609) -1 13.609305 20.261746 3.700460 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=609) -1 13.988452 19.708120 2.356784 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=610) -1 -2.030294 -14.494078 6.873646 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=610) -1 -2.778299 -13.923623 6.604584 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=610) -1 -1.632803 -14.705329 6.008527 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=611) -1 -3.275627 13.354276 5.574503 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=611) -1 -2.535399 13.267006 6.213824 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=611) -1 -2.771882 13.440209 4.736427 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=612) -1 -16.606670 27.557265 -8.507042 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=612) -1 -17.478641 27.526696 -8.049762 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=612) -1 -16.299824 28.445572 -8.208079 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=613) -1 25.419515 11.993387 6.146783 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=613) -1 25.696131 11.148773 5.695734 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=613) -1 25.763887 12.639181 5.512010 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=614) -1 12.817134 17.990064 6.747115 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=614) -1 13.796934 17.967465 6.833757 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=614) -1 12.619218 18.853225 7.140319 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=615) -1 -19.970826 14.024712 -8.313545 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=615) -1 -20.452436 13.214895 -8.622212 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=615) -1 -20.348707 14.082082 -7.404277 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=616) -1 -13.649905 11.842288 -3.086086 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=616) -1 -12.984740 11.120740 -3.134338 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=616) -1 -13.640442 12.020938 -2.115733 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=617) -1 31.520316 4.014201 11.003458 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=617) -1 31.373698 4.780760 10.393794 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=617) -1 31.848695 3.355736 10.348878 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=618) -1 -15.773859 -19.622282 -14.059798 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=618) -1 -15.054692 -20.264324 -13.921314 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=618) -1 -16.209074 -19.656114 -13.176394 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=619) -1 -9.272051 4.766701 11.472784 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=619) -1 -9.393136 5.717496 11.736560 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=619) -1 -8.770363 4.450885 12.256364 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=620) -1 -17.224258 22.641200 -14.969647 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=620) -1 -16.782792 23.109228 -15.717825 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=620) -1 -16.486169 22.044442 -14.699510 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=621) -1 -18.603706 -7.602347 -11.450793 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=621) -1 -17.687919 -7.714493 -11.825385 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=621) -1 -18.702423 -6.630813 -11.613521 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=622) -1 -19.019966 22.307852 -12.895957 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=622) -1 -18.440285 21.906495 -12.208076 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=622) -1 -18.393348 22.310828 -13.653411 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=623) -1 12.069955 -18.362684 -7.984784 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=623) -1 12.697179 -18.867101 -8.562420 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=623) -1 12.641450 -17.561318 -7.830894 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=624) -1 -13.258694 16.201188 8.056715 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=624) -1 -14.091764 16.192778 7.523685 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=624) -1 -13.443945 16.993956 8.614906 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=625) -1 31.435717 7.338536 14.939618 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=625) -1 32.333497 7.243986 14.535428 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=625) -1 31.268383 6.386906 15.149799 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=626) -1 8.804347 -8.736892 4.800012 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=626) -1 9.778244 -8.832914 4.944472 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=626) -1 8.815112 -7.838638 4.371819 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=627) -1 10.592690 14.576270 11.819222 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=627) -1 10.645797 14.334040 10.873068 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=627) -1 10.474275 13.690401 12.225072 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=628) -1 11.473477 -8.768088 5.229693 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=628) -1 11.758296 -9.074539 4.340800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=628) -1 11.951721 -9.419018 5.793974 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=629) -1 -3.860566 6.396228 8.736144 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=629) -1 -3.062790 6.354529 9.285732 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=629) -1 -4.215235 7.279335 9.001350 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=630) -1 23.754591 -13.340154 -4.726260 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=630) -1 24.154679 -13.111670 -5.611443 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=630) -1 23.264364 -14.157388 -5.013388 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=631) -1 4.674165 4.632817 8.780942 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=631) -1 3.883914 4.165525 8.460995 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=631) -1 5.041632 4.979502 7.940916 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=632) -1 -10.968208 9.346438 -6.238803 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=632) -1 -10.047687 9.658317 -6.421089 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=632) -1 -10.842694 8.385961 -6.455118 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=633) -1 -19.055930 24.045583 -9.128280 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=633) -1 -18.780657 24.258696 -10.036669 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=633) -1 -19.234719 23.083438 -9.214890 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=634) -1 27.826191 -5.204097 10.905195 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=634) -1 28.609093 -4.949135 11.461580 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=634) -1 27.845984 -4.453847 10.270349 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=635) -1 -20.149343 23.641894 4.923043 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=635) -1 -20.172611 23.431902 5.895960 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=635) -1 -20.162388 24.613922 4.969921 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=636) -1 16.884287 -18.742319 -1.809196 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=636) -1 16.779980 -18.491984 -2.768641 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=636) -1 17.865199 -18.860350 -1.800417 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=637) -1 -20.431100 -13.587497 -13.968403 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=637) -1 -20.171714 -14.496160 -14.275638 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=637) -1 -19.560297 -13.135485 -14.153174 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=638) -1 -24.759198 -18.563376 1.382146 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=638) -1 -24.329980 -19.292692 0.882137 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=638) -1 -24.132284 -18.481123 2.131272 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=639) -1 32.699742 -6.423235 -4.224589 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=639) -1 32.803884 -6.460243 -5.185904 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=639) -1 31.915855 -7.022147 -4.111890 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=640) -1 -20.614447 3.649358 10.449522 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=640) -1 -21.493985 3.255639 10.708768 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=640) -1 -20.603381 3.365019 9.505608 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=641) -1 -16.013485 24.127436 -2.163149 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=641) -1 -16.713198 24.687113 -1.759131 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=641) -1 -15.789351 23.543987 -1.427130 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=642) -1 -24.066169 -23.031923 0.836612 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=642) -1 -23.652863 -23.437866 0.034271 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=642) -1 -23.782686 -23.659318 1.517171 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=643) -1 23.598113 11.447427 -13.226398 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=643) -1 23.588362 10.512802 -12.931247 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=643) -1 23.889314 11.886791 -12.397736 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=644) -1 -20.097267 8.461069 -6.906419 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=644) -1 -20.441097 9.015926 -6.165127 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=644) -1 -20.229966 7.568086 -6.501817 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=645) -1 -19.508740 21.299797 -9.534431 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=645) -1 -18.616563 21.286981 -9.976046 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=645) -1 -19.715908 20.326931 -9.656563 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=646) -1 -18.280072 -6.889814 13.470671 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=646) -1 -17.788646 -7.633380 13.077995 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=646) -1 -17.637563 -6.153915 13.332654 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=647) -1 -15.548824 30.732509 0.340917 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=647) -1 -14.833436 30.071708 0.490012 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=647) -1 -16.127472 30.504188 1.110882 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=648) -1 15.995587 15.263342 -3.178678 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=648) -1 16.197404 16.136549 -2.767347 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=648) -1 16.724825 14.729896 -2.795575 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=649) -1 -18.027978 9.194195 1.515938 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=649) -1 -18.280587 9.213913 2.470141 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=649) -1 -18.923857 9.140570 1.112997 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=650) -1 -18.551892 29.467812 -14.557620 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=650) -1 -18.753701 28.506912 -14.631021 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=650) -1 -19.174928 29.838087 -15.194829 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=651) -1 18.887853 1.953445 11.969303 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=651) -1 19.283758 1.942961 12.880529 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=651) -1 18.944865 0.998775 11.761741 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=652) -1 -1.700876 -17.748646 6.207589 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=652) -1 -2.152826 -18.592384 6.348814 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=652) -1 -1.588303 -17.434433 7.129052 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=653) -1 14.069279 -16.248386 4.559193 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=653) -1 13.979647 -15.279587 4.772995 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=653) -1 13.694725 -16.220254 3.641760 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=654) -1 11.524593 3.246855 8.712502 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=654) -1 12.038946 2.839541 9.442773 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=654) -1 11.482025 2.484099 8.092450 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=655) -1 22.323939 -10.582419 -3.263435 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=655) -1 21.785946 -10.928546 -4.022637 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=655) -1 22.486830 -9.673290 -3.608711 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=656) -1 -9.553112 28.113632 -8.217704 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=656) -1 -10.505696 27.928531 -8.107664 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=656) -1 -9.412643 27.779479 -9.130210 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=657) -1 18.157922 13.822484 -2.068702 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=657) -1 17.798601 13.027346 -2.532526 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=657) -1 18.728728 13.375990 -1.405122 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=658) -1 -25.516049 -17.713976 -8.255828 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=658) -1 -25.431082 -16.998155 -8.942561 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=658) -1 -24.656086 -17.603154 -7.805221 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=659) -1 1.002110 11.049488 7.271995 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=659) -1 1.785952 11.489344 7.642852 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=659) -1 1.273957 10.100157 7.397534 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=660) -1 -13.182640 11.621507 -12.004929 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=660) -1 -13.732215 10.897742 -12.415617 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=660) -1 -12.837037 11.101665 -11.231642 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=661) -1 30.872434 -0.061237 17.067318 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=661) -1 31.322167 -0.598833 16.375014 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=661) -1 30.133880 -0.671072 17.285209 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=662) -1 24.215145 -11.814367 -15.624645 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=662) -1 24.609558 -12.594788 -15.185411 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=662) -1 23.377434 -11.733825 -15.108924 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=663) -1 -12.466967 14.022232 -8.160341 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=663) -1 -13.453571 13.956034 -8.211255 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=663) -1 -12.268316 13.067072 -7.972345 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=664) -1 29.903603 5.499428 -4.247985 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=664) -1 29.657227 4.585458 -3.993444 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=664) -1 29.288963 5.642919 -5.001128 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=665) -1 -8.490268 -20.663204 2.302275 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=665) -1 -8.045347 -20.680232 3.192763 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=665) -1 -9.136455 -21.396951 2.458500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=666) -1 25.880051 -6.080020 12.523809 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=666) -1 26.318315 -5.763096 13.330777 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=666) -1 26.569683 -5.831953 11.851923 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=667) -1 10.780847 -16.345371 -9.391650 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=667) -1 11.140208 -15.752400 -8.689398 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=667) -1 11.086246 -17.211190 -9.048585 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=668) -1 -25.252568 12.203629 4.570331 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=668) -1 -24.774388 11.535581 5.128950 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=668) -1 -25.981347 11.646576 4.244927 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=669) -1 -13.568343 3.863686 -9.886164 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=669) -1 -13.801652 3.005584 -10.288746 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=669) -1 -14.254890 4.437463 -10.300319 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=670) -1 12.640563 14.667831 0.759594 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=670) -1 13.483605 14.286907 1.056569 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=670) -1 12.274458 14.994076 1.612156 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=671) -1 13.948129 -16.314269 -2.850561 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=671) -1 14.073614 -16.974192 -3.574819 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=671) -1 12.961626 -16.280205 -2.849661 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=672) -1 -6.068776 -19.850399 -2.183901 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=672) -1 -6.306922 -19.592615 -1.272302 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=672) -1 -6.187218 -19.001759 -2.654736 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=673) -1 -15.048728 -23.046552 0.754805 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=673) -1 -14.067140 -22.981211 0.876119 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=673) -1 -15.320567 -22.523087 1.558068 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=674) -1 -12.974399 26.096395 -14.344355 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=674) -1 -11.993082 26.124663 -14.289866 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=674) -1 -13.084841 25.491888 -15.111464 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=675) -1 0.223521 -12.103036 -5.277370 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=675) -1 0.795747 -12.901642 -5.200881 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=675) -1 -0.653423 -12.529083 -5.097317 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=676) -1 -11.766913 13.683694 -3.765997 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=676) -1 -12.308882 14.480412 -3.933357 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=676) -1 -12.466996 13.020115 -3.599416 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=677) -1 10.895939 -18.071607 2.939358 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=677) -1 10.327053 -17.826339 2.175283 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=677) -1 11.671865 -18.430967 2.467983 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=678) -1 -16.364823 26.656711 -15.693659 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=678) -1 -15.818075 27.270074 -15.160090 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=678) -1 -17.260246 26.896024 -15.386292 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=679) -1 -7.886486 4.619682 18.326150 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=679) -1 -8.494496 5.362484 18.121647 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=679) -1 -8.531291 3.869331 18.276731 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=680) -1 -15.323793 16.338550 -4.162861 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=680) -1 -15.507405 15.664683 -4.860838 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=680) -1 -14.358662 16.210556 -4.063593 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=681) -1 -11.255616 16.668950 15.780469 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=681) -1 -10.302764 16.592729 16.013027 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=681) -1 -11.614798 15.901934 16.270017 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=682) -1 20.944212 15.289863 -9.370982 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=682) -1 20.489900 15.704813 -8.603125 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=682) -1 20.214694 14.785276 -9.765311 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=683) -1 -8.448044 -13.077640 -13.563670 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=683) -1 -9.116831 -12.389832 -13.746007 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=683) -1 -8.967288 -13.694889 -13.005698 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=684) -1 11.340758 -9.435935 -8.577712 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=684) -1 11.640366 -10.250919 -9.010711 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=684) -1 11.305899 -9.751922 -7.633938 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=685) -1 -22.141678 13.422654 10.458297 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=685) -1 -21.936538 13.708180 9.541565 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=685) -1 -22.695255 12.628876 10.261200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=686) -1 -22.859584 0.474660 -12.917495 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=686) -1 -23.363484 -0.025416 -12.221270 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=686) -1 -22.507708 1.199198 -12.343147 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=687) -1 19.043916 19.046487 -4.799980 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=687) -1 18.698742 18.999728 -5.721809 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=687) -1 19.413232 18.125755 -4.736069 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=688) -1 -5.263970 12.091785 7.013418 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=688) -1 -4.731793 12.741516 6.499585 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=688) -1 -6.167029 12.453229 6.840042 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=689) -1 19.618502 -17.712945 -4.171241 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=689) -1 19.662745 -18.302111 -3.390403 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=689) -1 20.060092 -16.913762 -3.804384 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=690) -1 -29.676578 -23.699940 -7.826886 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=690) -1 -29.287181 -23.577882 -8.701291 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=690) -1 -29.982466 -22.790128 -7.620781 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=691) -1 10.037595 -1.081750 10.758625 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=691) -1 9.954212 -1.967924 11.144952 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=691) -1 9.350235 -1.145711 10.042112 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=692) -1 10.588993 12.130726 13.066020 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=692) -1 10.408567 11.483622 13.795367 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=692) -1 10.729709 11.478221 12.330828 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=693) -1 21.123046 -7.847976 -15.093236 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=693) -1 21.657694 -7.352122 -14.421257 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=693) -1 21.020136 -8.697408 -14.578613 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=694) -1 31.994483 6.786242 -1.254575 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=694) -1 32.195270 6.159785 -1.983568 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=694) -1 32.241824 6.223101 -0.480382 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=695) -1 18.162689 -12.020114 10.813730 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=695) -1 18.639521 -12.857609 10.611059 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=695) -1 18.689073 -11.395506 10.271050 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=696) -1 -5.116482 8.650298 9.526784 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=696) -1 -5.693417 8.600312 8.724837 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=696) -1 -5.794384 8.461044 10.217491 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=697) -1 -3.191082 7.537018 -6.948182 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=697) -1 -2.283625 7.183152 -7.141481 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=697) -1 -3.722015 6.815554 -7.364294 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=698) -1 -19.157516 24.111889 -6.413335 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=698) -1 -19.584079 23.219722 -6.411130 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=698) -1 -18.998827 24.198207 -7.383352 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=699) -1 18.656527 -7.382878 -16.225939 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=699) -1 18.314114 -8.305305 -16.170277 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=699) -1 19.572781 -7.535683 -15.888387 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=700) -1 34.231356 10.441551 -1.827162 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=700) -1 35.136680 10.160316 -1.643638 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=700) -1 33.733463 9.913850 -1.159670 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=701) -1 -30.173917 -18.944328 -0.114053 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=701) -1 -29.465288 -19.549948 -0.438924 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=701) -1 -29.900869 -18.822286 0.804211 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=703) -1 -1.953848 0.860287 -11.132710 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=703) -1 -1.081682 1.310376 -11.289495 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=703) -1 -1.633583 -0.076550 -11.137350 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=704) -1 9.889526 12.841076 -13.330894 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=704) -1 9.882569 13.530173 -12.631315 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=704) -1 8.948632 12.657453 -13.429443 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=705) -1 15.429878 -17.497275 -6.632520 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=705) -1 14.783113 -16.934455 -7.129996 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=705) -1 14.798161 -17.890456 -5.976823 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=706) -1 -14.257529 14.150657 4.828802 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=706) -1 -14.501735 13.780342 3.944405 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=706) -1 -14.454022 13.342881 5.374684 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=707) -1 -11.795085 15.289599 -10.441495 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=707) -1 -11.955768 14.822718 -9.581702 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=707) -1 -11.130065 15.949095 -10.131812 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=708) -1 7.350205 -13.932010 4.391498 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=708) -1 7.428307 -14.689315 5.015484 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=708) -1 8.301075 -13.797097 4.183020 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=709) -1 18.125862 12.361714 11.340427 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=709) -1 18.386014 12.940156 12.096678 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=709) -1 18.456315 12.934608 10.597003 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=710) -1 -31.753393 -19.750707 -3.679358 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=710) -1 -32.231885 -20.467901 -4.134791 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=710) -1 -31.227437 -19.388771 -4.430527 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=711) -1 -7.876326 26.920676 -6.503393 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=711) -1 -7.400958 27.636420 -6.052632 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=711) -1 -8.522987 27.449622 -7.036843 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=712) -1 9.168572 -3.619551 3.028282 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=712) -1 9.435242 -2.694132 3.253200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=712) -1 8.329681 -3.438297 2.557489 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=713) -1 0.134269 8.480290 -4.456060 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=713) -1 0.743955 8.465358 -3.675324 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=713) -1 0.468253 7.663395 -4.910493 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=715) -1 36.826649 -2.507760 4.825827 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=715) -1 36.320040 -2.575135 5.666852 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=715) -1 36.565582 -1.595389 4.554932 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=716) -1 16.631129 -5.754984 -15.440673 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=716) -1 17.257524 -6.448070 -15.772923 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=716) -1 16.596111 -6.040204 -14.491220 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=717) -1 -29.005708 22.662838 1.638419 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=717) -1 -29.466447 23.299701 2.203170 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=717) -1 -28.065161 22.922661 1.804883 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=718) -1 29.508512 2.892837 -3.381164 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=718) -1 28.571386 2.836232 -3.083980 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=718) -1 29.404648 2.545582 -4.303937 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=719) -1 -25.066476 -5.861715 -4.023449 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=719) -1 -24.679769 -5.877201 -4.936027 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=719) -1 -24.363624 -5.297446 -3.595610 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=720) -1 -7.096295 7.639579 11.171693 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=720) -1 -8.021458 7.491572 11.502048 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=720) -1 -6.898164 6.735926 10.847952 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=721) -1 31.399131 8.350922 8.023700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=721) -1 31.480978 7.545410 8.569795 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=721) -1 32.182047 8.249098 7.436492 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=722) -1 29.416156 6.961069 11.473908 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=722) -1 29.574549 7.742652 12.038475 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=722) -1 29.150572 6.310769 12.167312 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=723) -1 -28.723317 -18.822961 -13.301703 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=723) -1 -29.219690 -17.986056 -13.182439 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=723) -1 -28.098681 -18.538864 -14.013650 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=724) -1 -18.732192 16.320134 -9.113573 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=724) -1 -18.198792 16.415043 -8.290435 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=724) -1 -19.215597 15.486497 -8.891377 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=725) -1 -8.291389 12.305434 13.551817 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=725) -1 -8.987697 11.775543 14.019006 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=725) -1 -7.780078 11.549676 13.155620 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=726) -1 -19.204818 16.527505 2.032788 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=726) -1 -18.760986 16.074268 1.274606 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=726) -1 -18.506476 16.405833 2.716145 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=727) -1 -18.474951 14.024182 12.436557 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=727) -1 -19.387395 13.666209 12.569104 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=727) -1 -17.976690 13.345660 12.963450 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=728) -1 -10.679708 12.505525 4.110464 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=728) -1 -10.399058 13.279858 4.645344 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=728) -1 -11.337170 12.102125 4.711104 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=729) -1 -11.622805 8.696031 6.759828 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=729) -1 -11.585353 8.492705 5.803580 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=729) -1 -11.302214 7.837222 7.124110 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=730) -1 -12.445670 19.372939 11.083354 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=730) -1 -13.107899 18.856501 10.570197 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=730) -1 -12.558692 19.002957 11.966514 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=731) -1 -10.319085 6.810554 -6.824222 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=731) -1 -9.445804 6.950259 -7.264498 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=731) -1 -10.664687 6.080439 -7.387373 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=732) -1 -12.203906 -21.563338 4.964167 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=732) -1 -13.148075 -21.592462 5.238471 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=732) -1 -11.763938 -21.614199 5.838883 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=733) -1 -3.216697 -2.890551 20.530519 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=733) -1 -3.545708 -2.353878 21.289228 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=733) -1 -3.391979 -2.259704 19.797004 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=734) -1 2.250174 12.001147 -4.003524 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=734) -1 1.691793 12.098102 -3.191409 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=734) -1 1.561297 11.984383 -4.685642 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=735) -1 -14.668218 31.629647 -4.362272 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=735) -1 -13.916319 31.081736 -4.033262 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=735) -1 -14.962186 32.007800 -3.491948 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=736) -1 30.340939 4.148042 0.240272 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=736) -1 31.158506 4.674769 0.455515 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=736) -1 30.723433 3.592402 -0.483759 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=737) -1 -5.624899 -18.934745 13.308931 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=737) -1 -5.360082 -18.074235 12.889104 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=737) -1 -6.319594 -19.202213 12.661668 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=738) -1 7.586090 -8.455088 7.201453 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=738) -1 6.870042 -7.990428 6.700363 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=738) -1 8.135324 -8.740778 6.426957 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=739) -1 -24.304920 10.257650 6.231544 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=739) -1 -24.364141 9.328755 5.884403 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=739) -1 -23.497607 10.143354 6.795264 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=740) -1 -10.381425 26.483208 -0.290077 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=740) -1 -9.506445 26.685540 0.119774 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=740) -1 -10.067415 25.924921 -1.044617 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=741) -1 -0.967772 -17.462241 -6.598182 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=741) -1 -0.583675 -18.237787 -7.031179 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=741) -1 -1.905434 -17.529192 -6.895918 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=742) -1 7.956390 1.875981 13.000849 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=742) -1 7.091898 1.467443 12.843023 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=742) -1 7.779720 2.794887 12.673728 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=743) -1 28.988932 10.867820 14.410367 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=743) -1 29.861667 10.929024 14.826166 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=743) -1 28.929339 9.888311 14.273802 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=744) -1 -9.629866 2.698575 17.766546 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=744) -1 -9.933702 3.046735 16.902442 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=744) -1 -9.575189 1.738517 17.560032 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=745) -1 1.061242 -5.493431 -7.739615 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=745) -1 1.130964 -4.728758 -7.108390 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=745) -1 2.022166 -5.548996 -7.995272 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=746) -1 19.655714 -14.548825 7.052890 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=746) -1 19.656185 -14.484825 6.063824 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=746) -1 20.607184 -14.296999 7.203583 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=747) -1 33.534825 -0.790434 5.452480 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=747) -1 34.249861 -0.555102 4.814988 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=747) -1 33.583436 -0.001431 6.041961 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=748) -1 -20.333559 21.732779 -6.891623 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=748) -1 -21.271854 22.014987 -6.997784 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=748) -1 -20.127468 21.469312 -7.811572 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=749) -1 -11.001558 23.598323 -14.446711 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=749) -1 -10.253247 23.115416 -14.035309 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=749) -1 -10.634948 24.511561 -14.445147 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=750) -1 -9.735458 -2.540431 22.939495 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=750) -1 -9.321249 -1.670307 22.774941 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=750) -1 -10.584020 -2.286095 23.319406 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=751) -1 -29.176258 -12.413515 -8.202861 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=751) -1 -28.670980 -11.562665 -8.235628 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=751) -1 -28.999302 -12.735080 -9.114820 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=752) -1 -27.463913 -6.287609 -5.497987 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=752) -1 -26.700394 -6.326708 -4.882021 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=752) -1 -27.221706 -5.466656 -5.997362 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=753) -1 11.932367 1.849634 14.335372 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=753) -1 11.484109 1.540694 13.505852 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=753) -1 11.126414 2.122058 14.839635 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=754) -1 -1.532660 -2.132060 14.001916 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=754) -1 -1.825778 -1.911312 14.923935 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=754) -1 -0.864742 -2.830199 14.223741 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=755) -1 28.673670 5.533007 -11.435788 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=755) -1 28.116830 6.299068 -11.187291 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=755) -1 28.214104 5.245665 -12.258630 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=756) -1 -0.707974 12.876503 0.730275 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=756) -1 -0.308252 13.465041 0.067713 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=756) -1 -0.007940 12.179631 0.786506 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=757) -1 28.052905 -7.527960 -2.956283 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=757) -1 28.296472 -8.216433 -2.291237 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=757) -1 27.479569 -8.084371 -3.542084 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=758) -1 -11.345733 -22.516229 -6.970539 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=758) -1 -11.371055 -23.376206 -6.486426 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=758) -1 -12.070774 -22.639769 -7.598480 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=759) -1 -8.731855 -10.464765 19.224245 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=759) -1 -8.016734 -11.145373 19.162780 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=759) -1 -8.301455 -9.859395 19.880659 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=760) -1 3.087248 0.672584 -12.885889 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=760) -1 2.529554 0.159983 -12.261309 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=760) -1 2.969450 1.575297 -12.516418 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=761) -1 14.067863 21.591125 4.709645 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=761) -1 14.682424 22.269525 4.361611 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=761) -1 14.647899 21.169011 5.382113 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=762) -1 22.045634 -13.281789 -2.571693 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=762) -1 22.711316 -13.385559 -3.295285 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=762) -1 22.014127 -12.301763 -2.528733 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=763) -1 -17.276825 16.019131 3.945867 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=763) -1 -17.617856 16.363106 4.804689 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=763) -1 -17.248522 15.052488 4.184415 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=764) -1 9.686133 -16.990703 0.704768 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=764) -1 10.030713 -16.131866 1.061564 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=764) -1 8.830937 -16.649889 0.332285 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=765) -1 -6.785626 6.830374 16.170803 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=765) -1 -6.050391 6.904304 16.831342 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=765) -1 -6.587781 5.923924 15.832565 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=766) -1 -14.696524 28.088291 -13.995473 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=766) -1 -14.096323 27.307059 -14.142998 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=766) -1 -14.013748 28.724044 -13.666870 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=767) -1 13.733099 5.284558 -21.438244 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=767) -1 13.526319 5.923214 -20.728946 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=767) -1 13.201936 4.514083 -21.136984 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=768) -1 -7.553858 9.230554 15.290310 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=768) -1 -8.523218 9.060953 15.367366 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=768) -1 -7.221128 8.341454 15.574020 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=769) -1 -8.858016 19.195120 -5.133763 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=769) -1 -9.174695 18.717677 -5.931048 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=769) -1 -9.320609 18.669519 -4.437456 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=770) -1 -12.568330 -18.625961 8.026334 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=770) -1 -13.300393 -18.973879 7.469939 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=770) -1 -13.108732 -18.141510 8.699971 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=771) -1 -4.756196 -6.859879 -10.405795 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=771) -1 -4.011699 -6.818872 -9.744662 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=771) -1 -4.863316 -5.887112 -10.550527 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=772) -1 11.008767 6.995766 -11.860080 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=772) -1 11.089273 7.833884 -12.376096 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=772) -1 11.823881 7.069479 -11.314580 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=773) -1 -27.082145 23.750571 -2.668303 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=773) -1 -26.642668 24.100604 -1.852927 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=773) -1 -27.894740 23.378275 -2.251081 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=774) -1 -14.823688 11.872385 6.110288 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=774) -1 -13.917129 11.529182 5.886385 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=774) -1 -15.053642 11.206088 6.809893 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=775) -1 15.184998 5.704332 12.721645 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=775) -1 14.627080 4.971168 13.058537 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=775) -1 15.962560 5.183248 12.400578 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=776) -1 -26.498974 4.170315 3.717104 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=776) -1 -25.911444 3.649368 4.313696 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=776) -1 -26.757222 3.459004 3.087918 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=777) -1 -26.310890 22.421426 -4.871568 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=777) -1 -26.620159 23.064464 -4.176334 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=777) -1 -26.714661 21.602072 -4.476840 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=778) -1 9.456777 4.869882 -16.244920 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=778) -1 9.702861 5.712723 -16.714362 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=778) -1 9.974266 4.243454 -16.814047 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=779) -1 9.253967 -16.146847 -6.893553 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=779) -1 10.137838 -15.692576 -6.998961 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=779) -1 9.080750 -16.352973 -7.833089 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=780) -1 35.919264 7.471181 2.286784 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=780) -1 35.767135 8.164820 2.953682 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=780) -1 34.996857 7.352836 1.954383 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=781) -1 -6.374389 -3.473640 22.043216 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=781) -1 -6.965725 -2.883074 21.526388 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=781) -1 -5.714058 -2.815802 22.357216 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=782) -1 -27.442635 20.439074 -3.425314 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=782) -1 -27.006230 20.298806 -2.563185 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=782) -1 -28.380222 20.310267 -3.171971 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=783) -1 23.551319 9.204265 -0.949763 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=783) -1 24.282096 8.688475 -0.561925 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=783) -1 23.654950 8.995312 -1.899507 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=784) -1 6.852877 5.723118 9.957365 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=784) -1 5.994227 5.314981 9.702961 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=784) -1 6.994099 5.294368 10.828381 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=785) -1 -23.763574 3.178449 -6.735448 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=785) -1 -23.134511 3.056497 -5.966904 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=785) -1 -23.755424 2.251447 -7.071852 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=786) -1 3.358473 4.428434 5.153221 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=786) -1 2.964946 4.565069 4.261294 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=786) -1 4.286450 4.204181 4.880782 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=787) -1 7.960670 -15.834550 6.263943 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=787) -1 8.402925 -15.334609 6.988795 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=787) -1 8.750118 -16.272502 5.866343 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=788) -1 -13.930771 1.653424 -13.705646 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=788) -1 -14.167105 1.486901 -12.766064 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=788) -1 -14.736896 1.268441 -14.141755 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=789) -1 27.750216 -12.718027 -10.268133 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=789) -1 26.827203 -12.421064 -10.108481 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=789) -1 27.743999 -12.703856 -11.258667 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=790) -1 -12.035676 -15.996445 -10.915923 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=790) -1 -12.938748 -15.814019 -10.599334 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=790) -1 -12.248401 -16.539048 -11.719838 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=791) -1 -16.827592 -10.090228 -14.330373 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=791) -1 -15.871457 -10.129687 -14.142074 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=791) -1 -17.084235 -9.294978 -13.833873 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=792) -1 26.974028 3.312283 -2.505515 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=792) -1 26.734643 4.115068 -3.022174 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=792) -1 27.185793 3.738039 -1.640373 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=793) -1 1.617170 8.270524 -2.244437 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=793) -1 2.160990 7.436287 -2.210837 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=793) -1 1.120488 8.164074 -1.408026 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=794) -1 12.416481 8.096221 -15.812553 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=794) -1 13.076517 8.828543 -15.785079 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=794) -1 12.893380 7.421150 -15.282131 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=795) -1 7.591501 -15.479506 -0.175977 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=795) -1 7.888195 -14.566888 -0.380889 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=795) -1 6.661747 -15.437269 -0.438343 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=796) -1 37.906957 -4.425339 3.207420 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=796) -1 37.704994 -3.678133 3.813676 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=796) -1 37.495832 -5.163037 3.674538 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=797) -1 -8.957853 -15.463646 -1.224738 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=797) -1 -8.660805 -15.474507 -2.164354 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=797) -1 -8.927673 -16.439849 -1.043739 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=798) -1 28.772586 5.349927 7.599281 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=798) -1 28.886752 6.236851 7.175151 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=798) -1 27.853176 5.158472 7.340531 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=799) -1 -12.148418 5.424841 -13.721155 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=799) -1 -11.215069 5.521339 -13.469432 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=799) -1 -12.041741 4.856582 -14.531629 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=801) -1 30.905423 -6.709786 2.179627 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=801) -1 30.327076 -6.940835 1.427704 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=801) -1 30.243981 -6.606884 2.895721 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=802) -1 -7.573594 20.837527 -3.455645 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=802) -1 -7.510625 20.098533 -2.793551 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=802) -1 -8.029537 20.319593 -4.177683 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=803) -1 34.921491 3.231888 5.572533 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=803) -1 35.343526 2.935920 4.729435 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=803) -1 35.062504 4.187788 5.513976 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=804) -1 -9.012473 -23.134153 5.200349 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=804) -1 -9.574162 -23.044584 4.406504 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=804) -1 -9.622730 -22.826117 5.897984 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=805) -1 3.479732 -0.222280 -3.888795 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=805) -1 4.059903 0.346890 -4.446209 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=805) -1 2.701396 0.388517 -3.819521 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=806) -1 -26.433879 -1.679977 6.385040 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=806) -1 -27.089904 -2.353108 6.621830 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=806) -1 -25.614205 -2.245288 6.366776 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=807) -1 -12.053571 5.166212 13.733067 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=807) -1 -12.566759 5.122366 12.887186 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=807) -1 -11.719406 6.104081 13.633601 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=808) -1 6.375820 -0.783615 -11.292307 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=808) -1 6.665071 -1.564682 -11.823197 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=808) -1 6.228769 -1.231461 -10.425781 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=809) -1 -15.487931 29.840587 -7.658028 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=809) -1 -14.636871 29.724583 -7.162548 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=809) -1 -15.130883 30.330616 -8.439216 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=810) -1 13.873239 -0.050070 14.750156 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=810) -1 14.479137 0.466584 15.297373 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=810) -1 13.144713 0.596244 14.613528 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=811) -1 -10.741246 -17.180123 -8.809971 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=811) -1 -11.091356 -18.084765 -9.031991 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=811) -1 -11.194598 -16.679012 -9.534662 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=812) -1 -19.392346 -21.836422 1.194942 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=812) -1 -20.123306 -21.818409 0.540745 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=812) -1 -18.637630 -22.041964 0.600189 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=813) -1 -16.468945 -4.975962 12.972949 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=813) -1 -16.568791 -4.304336 12.258601 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=813) -1 -15.760806 -5.530476 12.582729 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=814) -1 -0.609825 -16.766487 -0.262002 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=814) -1 -1.220567 -17.457578 0.076742 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=814) -1 -0.266879 -16.410749 0.583659 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=815) -1 -1.862356 -15.798199 -11.001055 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=815) -1 -2.122092 -14.939299 -11.387514 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=815) -1 -1.032476 -15.517067 -10.529923 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=816) -1 11.775752 9.106185 -13.340009 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=816) -1 11.673683 8.922200 -14.303563 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=816) -1 12.647479 8.629096 -13.205301 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=817) -1 22.616730 -2.835511 -18.315459 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=817) -1 22.494128 -1.890629 -18.507877 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=817) -1 21.846926 -3.002251 -17.729554 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=818) -1 -17.257845 21.299307 -11.035856 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=818) -1 -16.913409 20.474290 -11.455642 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=818) -1 -16.405843 21.696181 -10.742111 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=819) -1 26.447774 11.706509 8.676300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=819) -1 26.907683 10.914218 8.278723 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=819) -1 25.941056 11.972523 7.865263 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=820) -1 -26.582811 0.268945 -0.273855 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=820) -1 -26.966024 0.928981 0.324905 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=820) -1 -27.037591 0.463400 -1.111297 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=821) -1 -6.047442 0.467660 22.543652 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=821) -1 -5.858980 1.318808 22.082435 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=821) -1 -7.025092 0.460197 22.498597 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=822) -1 -7.936915 7.383294 -8.069120 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=822) -1 -7.576610 6.691195 -8.659640 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=822) -1 -7.091269 7.765012 -7.725246 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=823) -1 -22.616565 3.450733 6.814793 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=823) -1 -21.849756 2.967371 7.204586 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=823) -1 -22.119935 4.228385 6.440547 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=824) -1 17.184623 20.072568 -3.051817 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=824) -1 17.903170 19.892423 -3.701878 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=824) -1 17.035315 19.163929 -2.716883 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=825) -1 11.266850 10.422686 11.133785 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=825) -1 12.190049 10.783217 11.100508 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=825) -1 11.425999 9.530933 10.765996 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=826) -1 25.082390 -5.948540 -15.057858 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=826) -1 25.243822 -5.341656 -14.295273 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=826) -1 24.974330 -5.269078 -15.770200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=827) -1 -7.577073 25.361701 -8.747979 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=827) -1 -6.900623 24.733431 -8.363039 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=827) -1 -7.673123 25.947025 -7.954477 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=828) -1 -10.642234 13.461087 16.355191 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=828) -1 -9.674128 13.572652 16.473487 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=828) -1 -10.641411 12.603168 15.864575 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=829) -1 -16.223694 15.607691 14.846968 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=829) -1 -15.597573 16.289093 15.171711 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=829) -1 -16.737252 16.122045 14.197749 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=830) -1 -16.309508 30.169955 -13.214233 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=830) -1 -17.183040 30.018441 -13.652564 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=830) -1 -15.841275 29.358647 -13.517608 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=831) -1 -18.172167 4.608476 15.247678 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=831) -1 -18.350864 5.565841 15.258881 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=831) -1 -18.473840 4.374829 14.345195 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=832) -1 -23.841788 23.718946 2.142775 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=832) -1 -23.497777 24.222862 1.377339 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=832) -1 -23.024146 23.278681 2.453567 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=833) -1 34.950985 -2.585246 6.849116 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=833) -1 34.468646 -3.444211 6.788302 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=833) -1 34.330615 -2.023537 6.320093 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=834) -1 -8.705324 -4.953508 22.014536 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=834) -1 -9.190846 -4.174204 22.372610 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=834) -1 -7.784857 -4.623090 22.102598 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=835) -1 -31.572519 -17.572658 -1.940003 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=835) -1 -31.103441 -18.036596 -1.197881 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=835) -1 -31.862659 -18.362939 -2.450867 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=836) -1 -17.308098 12.004955 13.781412 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=836) -1 -17.856993 11.234120 14.047032 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=836) -1 -16.632084 11.536527 13.225338 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=837) -1 0.929406 -0.711252 11.231515 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=837) -1 0.311617 -1.336707 10.818641 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=837) -1 0.353554 0.113624 11.204758 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=838) -1 -18.996758 -0.481350 -1.626510 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=838) -1 -18.335831 -0.787186 -0.979325 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=838) -1 -18.564007 0.333090 -1.958078 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=839) -1 19.716371 16.339869 11.281083 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=839) -1 20.196457 15.540558 10.937240 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=839) -1 18.956376 16.348910 10.681057 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=840) -1 32.832487 8.980273 -0.051499 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=840) -1 32.481097 8.241193 -0.625772 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=840) -1 33.069155 8.415772 0.736115 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=841) -1 -9.744706 12.645409 -6.395972 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=841) -1 -10.549903 12.287772 -6.841644 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=841) -1 -9.111842 11.924794 -6.628131 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=842) -1 -14.046508 28.452918 0.604714 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=842) -1 -13.729631 27.984434 1.410201 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=842) -1 -14.915295 28.020899 0.479345 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=843) -1 8.967144 5.237338 14.484216 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=843) -1 9.786375 5.686672 14.206099 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=843) -1 9.322036 4.419975 14.878387 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=844) -1 -22.949361 -12.574467 -14.385078 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=844) -1 -22.049853 -12.966613 -14.455797 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=844) -1 -22.763553 -11.836787 -13.772218 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=845) -1 6.983383 14.416033 -5.367520 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=845) -1 6.013237 14.298368 -5.234435 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=845) -1 6.964869 14.857317 -6.254417 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=846) -1 13.485212 -16.227986 -10.333319 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=846) -1 13.562333 -16.126408 -9.350438 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=846) -1 12.519505 -16.114758 -10.431628 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=847) -1 -0.927360 0.947280 15.307796 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=847) -1 -0.123479 0.440634 15.042959 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=847) -1 -1.121358 1.370151 14.424231 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=848) -1 -24.767162 6.141217 3.065946 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=848) -1 -25.538165 5.565345 3.268559 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=848) -1 -24.802975 6.769121 3.803945 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=849) -1 10.115139 -14.003096 4.327910 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=849) -1 10.249006 -14.925964 4.655950 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=849) -1 10.418668 -13.507529 5.124044 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=850) -1 -9.507663 11.504842 -3.816972 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=850) -1 -8.613060 11.812059 -3.547186 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=850) -1 -9.690733 12.133378 -4.545430 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=851) -1 -24.384888 -26.789501 -4.732575 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=851) -1 -24.074296 -26.352223 -5.565557 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=851) -1 -23.602071 -26.600944 -4.164728 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=852) -1 -21.085221 22.858877 -11.176574 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=852) -1 -20.723775 22.164900 -10.580400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=852) -1 -20.483235 22.731431 -11.948003 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=853) -1 -30.193917 -18.788064 -5.729549 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=853) -1 -29.454966 -18.520151 -6.336112 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=853) -1 -30.184078 -17.976759 -5.149087 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=854) -1 5.691908 0.785470 -13.375974 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=854) -1 5.899704 0.210882 -12.596890 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=854) -1 4.703607 0.670959 -13.374891 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=855) -1 -20.220156 23.166102 7.531133 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=855) -1 -20.739671 23.492397 8.311345 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=855) -1 -20.192388 22.209259 7.760234 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=856) -1 -17.897438 17.101926 -11.606950 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=856) -1 -17.343698 16.364199 -11.956397 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=856) -1 -18.147508 16.709035 -10.735071 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=857) -1 3.066819 -5.111258 -2.414458 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=857) -1 2.994879 -4.330075 -3.001562 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=857) -1 2.970471 -4.667492 -1.534813 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=858) -1 -5.646081 4.912275 19.761756 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=858) -1 -6.514487 4.807740 19.303671 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=858) -1 -5.244952 5.602805 19.192481 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=859) -1 7.590440 12.212110 -3.872345 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=859) -1 8.471467 12.363288 -3.444704 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=859) -1 7.474863 13.091494 -4.303782 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=860) -1 -11.681057 9.976700 -3.665674 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=860) -1 -11.628719 9.694933 -4.610465 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=860) -1 -10.872131 10.557590 -3.645756 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=861) -1 -12.191158 27.270550 -7.967458 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=861) -1 -12.826770 26.606643 -8.323789 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=861) -1 -11.809946 26.740965 -7.225400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=862) -1 -11.969345 13.289144 -13.743365 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=862) -1 -11.541510 12.657917 -14.339301 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=862) -1 -12.401504 12.669427 -13.105858 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=863) -1 32.903003 -0.482886 12.979456 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=863) -1 32.846591 0.492710 12.969734 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=863) -1 33.771492 -0.602779 12.525474 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=864) -1 -14.884151 -21.370525 5.511685 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=864) -1 -14.960469 -20.650054 6.189863 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=864) -1 -15.764078 -21.800780 5.662358 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=865) -1 1.801499 -13.198438 -1.482118 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=865) -1 1.777947 -13.352233 -0.503414 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=865) -1 1.188935 -13.916889 -1.766097 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=866) -1 -26.869629 -12.612661 -0.160749 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=866) -1 -25.978146 -12.483491 -0.571177 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=866) -1 -27.005126 -11.687311 0.168220 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=867) -1 9.446604 2.546245 15.201297 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=867) -1 8.910406 2.262265 14.426135 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=867) -1 8.885424 2.254340 15.932449 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=868) -1 -8.299033 -0.083552 12.469847 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=868) -1 -7.740674 -0.301019 11.682492 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=868) -1 -7.661232 0.472220 12.965723 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=869) -1 16.052529 20.252980 6.053347 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=869) -1 16.435325 20.047924 5.174263 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=869) -1 16.022479 19.359781 6.450468 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=870) -1 35.456862 -5.954193 0.277240 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=870) -1 34.911617 -5.837098 -0.526487 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=870) -1 34.838366 -6.460818 0.841906 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=871) -1 -13.037721 11.346248 14.566987 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=871) -1 -13.859723 11.844553 14.745090 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=871) -1 -13.404994 10.526084 14.174328 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=872) -1 -2.301274 -1.287466 16.416384 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=872) -1 -1.905893 -0.398894 16.342041 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=872) -1 -2.855648 -1.192082 17.209197 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=873) -1 -0.579072 -7.550749 -7.517639 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=873) -1 0.014768 -6.757908 -7.615049 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=873) -1 -0.153494 -8.154462 -8.146529 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=874) -1 -20.483003 9.166738 0.234926 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=874) -1 -20.849649 9.077544 1.157189 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=874) -1 -21.135790 8.633939 -0.249234 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=875) -1 -25.390036 22.119078 -7.384052 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=875) -1 -25.792529 22.279145 -6.495905 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=875) -1 -25.988899 21.445668 -7.733206 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=876) -1 13.621198 -11.100260 9.307626 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=876) -1 13.351686 -10.467718 9.995360 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=876) -1 14.352152 -11.569083 9.801143 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=877) -1 27.825645 1.238703 15.404263 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=877) -1 27.700723 0.255406 15.342882 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=877) -1 27.027706 1.515804 14.898949 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=878) -1 -17.347735 13.580587 5.041491 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=878) -1 -17.247345 12.654605 4.731165 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=878) -1 -16.980147 13.497656 5.947805 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=879) -1 -8.017542 22.610509 -1.337844 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=879) -1 -8.037790 21.842076 -0.709130 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=879) -1 -7.833938 22.105592 -2.168417 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=880) -1 -21.505594 8.956647 10.368225 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=880) -1 -21.188360 9.388183 11.199589 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=880) -1 -21.102130 8.067189 10.487611 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=881) -1 -26.614530 16.707126 -0.563155 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=881) -1 -26.527079 15.976811 -1.191212 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=881) -1 -25.822745 16.557612 0.004462 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=882) -1 24.878249 -12.041693 4.985080 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=882) -1 24.491270 -12.749763 4.409389 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=882) -1 24.635306 -12.412122 5.866231 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=883) -1 16.014379 3.876000 -21.704280 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=883) -1 16.493577 4.301924 -20.957821 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=883) -1 15.224116 4.465006 -21.748855 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=884) -1 10.719607 12.928507 -0.063774 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=884) -1 11.447044 13.574238 0.102054 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=884) -1 10.207262 13.053311 0.767984 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=885) -1 -15.345494 10.935976 12.371436 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=885) -1 -15.097035 11.157808 11.454516 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=885) -1 -14.718266 10.207845 12.562773 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=886) -1 -1.837302 -10.256628 15.048724 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=886) -1 -1.982838 -11.233967 15.079230 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=886) -1 -0.898792 -10.260274 14.728081 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=887) -1 21.706894 0.132055 15.713135 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=887) -1 21.813034 -0.659225 15.153020 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=887) -1 22.526879 0.128035 16.222734 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=888) -1 -10.938612 25.261993 2.110693 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=888) -1 -10.926412 25.728737 1.240564 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=888) -1 -10.112919 24.732769 2.009225 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=889) -1 25.696644 -13.505181 12.299516 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=889) -1 25.162961 -13.283425 11.514818 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=889) -1 25.501514 -12.738659 12.877901 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=890) -1 6.380284 3.380335 -10.023181 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=890) -1 6.115646 3.533065 -10.960395 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=890) -1 7.065932 2.685864 -10.166988 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=891) -1 -4.476897 -10.978298 15.000751 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=891) -1 -3.673494 -10.439278 14.831300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=891) -1 -4.079545 -11.877783 14.939383 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=892) -1 -29.783353 -14.234628 -6.367309 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=892) -1 -29.685553 -14.970403 -7.017688 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=892) -1 -29.564509 -13.477819 -6.977366 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=893) -1 -6.552130 -0.235656 -13.157096 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=893) -1 -6.760349 0.545849 -13.703622 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=893) -1 -7.294865 -0.173557 -12.499802 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=894) -1 -18.010970 7.470619 14.767454 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=894) -1 -17.034250 7.376292 14.780749 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=894) -1 -18.176045 7.247494 13.816492 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=895) -1 25.242653 -10.186613 10.185642 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=895) -1 24.936837 -11.073538 10.462330 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=895) -1 25.249545 -9.722313 11.052131 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=896) -1 11.471543 6.268559 13.465857 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=896) -1 12.073105 6.818008 12.898104 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=896) -1 11.625323 6.753342 14.324720 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=897) -1 -14.097572 -15.210709 18.054306 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=897) -1 -14.077270 -16.028387 18.605629 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=897) -1 -13.323983 -14.739658 18.437674 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=898) -1 20.049228 -14.219421 4.389672 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=898) -1 19.829581 -13.281798 4.200246 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=898) -1 19.779782 -14.620165 3.521831 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=899) -1 9.320927 10.901214 3.169298 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=899) -1 9.343307 11.836192 2.888879 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=899) -1 9.952645 10.501402 2.545769 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=900) -1 -25.439733 -10.436872 -10.098418 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=900) -1 -25.544630 -11.320168 -10.529686 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=900) -1 -24.510918 -10.238748 -10.399905 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=901) -1 27.953424 5.783195 -6.158247 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=901) -1 27.691481 4.986277 -6.678182 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=901) -1 27.803660 6.475784 -6.846758 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=902) -1 -26.636104 -9.919014 0.373969 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=902) -1 -27.277645 -9.197499 0.302255 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=902) -1 -25.808030 -9.401578 0.533964 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=903) -1 34.042340 1.264115 7.159400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=903) -1 33.504571 1.779680 7.793138 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=903) -1 34.384270 2.004857 6.594173 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=904) -1 -12.401954 19.567527 6.426449 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=904) -1 -11.510586 19.471306 6.042145 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=904) -1 -12.183510 19.853201 7.335430 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=905) -1 33.496595 -7.291669 1.759484 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=905) -1 32.571291 -7.034555 2.016115 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=905) -1 33.883659 -7.357197 2.667661 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=906) -1 -26.396436 23.034751 2.181118 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=906) -1 -25.469697 23.395537 2.268277 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=906) -1 -26.235914 22.161136 2.625175 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=907) -1 2.581899 -15.383135 10.696606 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=907) -1 1.996189 -15.495038 9.899669 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=907) -1 2.767357 -16.316220 10.892830 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=908) -1 -22.921553 13.125683 0.902790 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=908) -1 -22.212621 13.645143 0.456422 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=908) -1 -22.669033 12.224427 0.651142 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=909) -1 13.553521 -18.223210 -4.807983 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=909) -1 12.622640 -18.130415 -5.120695 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=909) -1 13.407696 -18.936472 -4.130809 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=910) -1 9.297621 -6.508355 8.102088 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=910) -1 8.605947 -7.164546 7.887636 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=910) -1 8.768543 -5.684457 8.125236 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=911) -1 -27.844852 -16.113518 -10.475371 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=911) -1 -27.816267 -17.112746 -10.554419 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=911) -1 -26.855178 -15.988116 -10.331003 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=912) -1 12.197920 7.565830 15.677376 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=912) -1 13.041677 7.069169 15.821652 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=912) -1 12.548255 8.485012 15.783971 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=913) -1 -25.979154 24.297544 -0.279899 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=913) -1 -25.082428 24.635878 -0.083712 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=913) -1 -26.204946 23.879148 0.575032 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=914) -1 -1.756629 12.757705 3.360946 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=914) -1 -2.046570 11.874341 3.016484 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=914) -1 -1.396013 13.128485 2.521741 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=915) -1 19.212825 -17.230174 -9.010757 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=915) -1 19.801147 -17.250558 -9.797173 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=915) -1 19.665034 -16.549171 -8.472347 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=916) -1 -6.294323 10.841011 -5.411737 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=916) -1 -5.491735 10.563032 -4.896697 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=916) -1 -6.635068 11.525140 -4.787374 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=917) -1 24.113264 -12.821642 10.085725 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=917) -1 24.170577 -12.749393 9.102689 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=917) -1 23.474750 -13.563983 10.155536 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=918) -1 1.469510 -0.392274 -10.951800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=918) -1 1.810156 -0.797375 -10.133561 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=918) -1 0.649580 -0.916452 -11.085297 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=919) -1 26.717048 -9.424949 -4.389522 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=919) -1 26.068043 -10.102898 -4.082160 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=919) -1 26.563045 -9.493349 -5.363782 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=920) -1 -10.996215 26.050861 -5.774324 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=920) -1 -10.213890 25.562869 -5.424039 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=920) -1 -11.558858 25.287195 -6.037141 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=921) -1 -21.719159 22.305001 3.200608 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=921) -1 -21.209251 22.775605 3.901583 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=921) -1 -22.239743 21.686579 3.763685 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=922) -1 -4.878641 -7.912388 20.967015 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=922) -1 -3.953935 -8.212781 20.791846 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=922) -1 -4.703947 -6.953352 21.118795 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=923) -1 30.199931 2.345508 16.017677 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=923) -1 30.542952 1.545233 16.489271 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=923) -1 29.296862 1.999112 15.791687 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=924) -1 -18.732341 10.760250 -7.695334 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=924) -1 -19.599472 11.084292 -8.044864 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=924) -1 -18.983748 9.822879 -7.518962 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=925) -1 12.603889 -17.269328 6.567148 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=925) -1 13.141511 -18.019873 6.862548 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=925) -1 13.165686 -16.927414 5.828649 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=926) -1 -20.577684 6.649004 -14.595908 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=926) -1 -20.046248 5.929485 -15.009681 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=926) -1 -21.475838 6.245501 -14.680267 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=927) -1 -13.570836 8.636094 -7.993363 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=927) -1 -13.535704 8.840828 -7.036914 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=927) -1 -14.416308 8.123784 -8.022561 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=929) -1 -30.047780 -24.685474 -5.339303 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=929) -1 -29.630316 -25.585020 -5.312839 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=929) -1 -29.904786 -24.484213 -6.298047 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=930) -1 23.640844 -7.838102 -16.400192 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=930) -1 22.718715 -7.852560 -16.073407 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=930) -1 24.041286 -7.195125 -15.773240 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=931) -1 -23.327364 25.152504 -0.145540 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=931) -1 -22.593863 25.781466 0.046580 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=931) -1 -23.373009 25.223061 -1.112356 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=932) -1 -15.478519 4.156458 13.064066 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=932) -1 -16.019906 3.739601 12.351282 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=932) -1 -14.712995 4.457677 12.518359 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=933) -1 -28.700602 18.411644 -0.458286 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=933) -1 -27.975367 17.740241 -0.510073 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=933) -1 -28.457009 18.843308 0.390471 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=934) -1 0.418370 -3.248804 -9.360137 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=934) -1 0.563470 -4.097929 -8.896782 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=934) -1 1.082390 -2.685834 -8.904339 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=935) -1 -9.224579 22.321826 -12.824621 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=935) -1 -8.745988 22.678108 -12.043723 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=935) -1 -10.062183 22.037516 -12.402917 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=936) -1 -25.871219 0.919237 7.138530 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=936) -1 -26.060898 1.270423 6.249864 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=936) -1 -26.080562 -0.031483 7.000604 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=937) -1 21.516813 15.055762 -1.812829 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=937) -1 20.696141 15.594727 -1.888629 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=937) -1 21.811665 15.294956 -0.922435 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=938) -1 -28.359897 -23.465624 -3.609509 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=938) -1 -28.962060 -23.974281 -4.206976 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=938) -1 -29.028259 -22.870499 -3.190500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=939) -1 24.300747 -0.995456 -12.587410 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=939) -1 24.967641 -1.355007 -11.973902 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=939) -1 23.475905 -1.344046 -12.186528 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=940) -1 23.775863 12.101344 12.135523 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=940) -1 22.800608 12.069668 12.317449 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=940) -1 23.800644 12.976734 11.671882 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=941) -1 3.240004 -2.022001 11.921376 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=941) -1 2.455816 -1.497284 11.638578 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=941) -1 3.606234 -2.257649 11.042068 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=942) -1 -25.950501 4.681188 -6.627346 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=942) -1 -25.189829 4.048911 -6.680574 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=942) -1 -26.662978 4.037945 -6.393670 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=943) -1 23.452081 16.066392 13.149987 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=943) -1 24.344976 15.642683 13.233755 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=943) -1 23.657923 16.961731 13.454840 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=944) -1 -3.394099 4.694195 16.678663 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=944) -1 -3.753370 3.778341 16.722022 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=944) -1 -2.586560 4.507252 16.128312 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=945) -1 -9.634824 -14.856876 -11.816859 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=945) -1 -9.192855 -15.007731 -10.950275 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=945) -1 -10.531731 -15.204979 -11.600533 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=946) -1 14.508458 6.167914 15.519017 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=946) -1 14.120017 5.324926 15.192270 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=946) -1 15.116524 6.371545 14.785229 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=947) -1 -4.809114 -4.083733 -10.773251 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=947) -1 -3.835357 -3.991196 -10.917269 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=947) -1 -5.042462 -3.120351 -10.725062 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=948) -1 -17.189868 1.749538 -17.184809 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=948) -1 -18.156973 1.764067 -17.070465 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=948) -1 -16.959851 2.659111 -16.887080 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=949) -1 22.323448 11.509403 -0.444639 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=949) -1 22.741780 11.702219 0.439456 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=949) -1 22.781963 10.643018 -0.620582 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=950) -1 -3.225690 -16.909993 -13.090876 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=950) -1 -2.656225 -16.698583 -12.315650 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=950) -1 -2.728510 -17.633021 -13.495268 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=951) -1 -24.069203 -5.395017 1.042886 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=951) -1 -24.097904 -4.628349 1.659821 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=951) -1 -23.193091 -5.763451 1.273404 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=952) -1 -8.471938 10.249491 -6.964035 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=952) -1 -7.662915 10.424200 -6.423105 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=952) -1 -8.144406 9.514337 -7.518336 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=953) -1 -21.163857 11.612293 -8.573847 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=953) -1 -21.340052 10.736511 -9.006343 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=953) -1 -21.864258 11.588256 -7.884046 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=954) -1 27.181017 -13.934240 -7.934890 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=954) -1 27.632168 -13.559841 -8.735383 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=954) -1 26.559714 -14.549625 -8.398325 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=955) -1 -12.273986 -19.314951 14.325250 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=955) -1 -12.018661 -20.106248 13.789573 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=955) -1 -11.941281 -18.614191 13.701834 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=956) -1 20.706392 -17.031152 -11.363597 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=956) -1 19.870893 -16.611743 -11.725137 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=956) -1 20.952948 -17.531880 -12.184809 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=957) -1 3.405634 9.817151 -0.115292 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=957) -1 4.310748 9.512021 0.117149 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=957) -1 3.504476 9.896727 -1.088142 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=958) -1 26.749076 -11.271702 -1.373900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=958) -1 26.587144 -12.173340 -1.063802 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=958) -1 26.113892 -11.219967 -2.126617 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=959) -1 -3.754270 -17.101433 9.913840 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=959) -1 -4.218567 -16.865919 10.758290 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=959) -1 -4.563363 -17.181335 9.331140 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=960) -1 3.797943 3.821669 -9.239459 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=960) -1 4.768316 3.697528 -9.332820 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=960) -1 3.711002 3.831958 -8.266157 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=961) -1 29.208444 -10.432710 -4.121193 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=961) -1 28.290240 -10.067584 -4.209421 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=961) -1 29.143436 -11.128977 -4.824324 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=962) -1 25.580577 10.069673 -10.856061 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=962) -1 24.815701 9.618902 -11.294485 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=962) -1 25.195348 10.979554 -10.791614 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=963) -1 -10.096706 -23.160350 -3.414312 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=963) -1 -9.168568 -22.841518 -3.369770 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=963) -1 -10.015801 -23.960237 -2.830869 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=964) -1 7.616919 4.423465 12.263589 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=964) -1 8.524794 4.566723 11.864364 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=964) -1 7.794218 4.867379 13.133094 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=965) -1 -20.392237 21.493516 0.995084 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=965) -1 -20.847428 21.641585 1.855151 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=965) -1 -19.532829 21.141557 1.312397 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=966) -1 -8.193196 -9.312451 -12.916358 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=966) -1 -7.604880 -8.512306 -12.887355 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=966) -1 -7.494848 -9.988131 -12.689857 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=967) -1 -6.688543 -17.607858 -3.786985 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=967) -1 -7.169833 -18.142810 -4.477313 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=967) -1 -7.356517 -16.888566 -3.682919 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=968) -1 -14.749586 4.283944 -13.894867 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=968) -1 -14.438066 3.349851 -13.928786 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=968) -1 -13.885960 4.747313 -13.932157 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=969) -1 -25.243983 18.100516 2.799773 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=969) -1 -25.168105 17.457638 3.550398 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=969) -1 -25.248286 17.451264 2.053550 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=970) -1 -10.333115 -25.415455 -2.053921 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=970) -1 -10.743608 -25.486652 -1.162072 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=970) -1 -11.005408 -25.905728 -2.580489 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=971) -1 1.123332 -15.738159 8.515250 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=971) -1 1.320077 -15.925561 7.570022 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=971) -1 0.189807 -16.051242 8.554560 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=972) -1 -9.308518 -14.916417 13.020618 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=972) -1 -9.624101 -15.406332 13.808140 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=972) -1 -8.514594 -15.465405 12.798389 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=973) -1 -15.580789 1.740333 18.413569 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=973) -1 -15.793100 0.817909 18.137182 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=973) -1 -15.396592 1.579860 19.369520 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=974) -1 32.232395 2.083923 9.166959 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=974) -1 31.920834 1.149773 9.112355 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=974) -1 31.596255 2.486810 8.513249 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=975) -1 3.672238 9.924158 -2.916245 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=975) -1 3.253543 10.683006 -3.386470 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=975) -1 2.885835 9.338984 -2.819263 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=976) -1 -15.217591 13.116884 15.181174 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=976) -1 -15.978062 12.637018 14.771181 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=976) -1 -15.592522 14.036118 15.137222 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=977) -1 36.632673 4.822099 2.033208 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=977) -1 36.532381 5.797133 2.110918 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=977) -1 36.102415 4.666797 1.215872 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=978) -1 -18.834680 4.113418 12.552217 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=978) -1 -18.121804 3.674407 12.022886 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=978) -1 -19.601105 3.925373 11.961779 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=979) -1 -14.280840 1.366018 20.783998 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=979) -1 -13.682803 2.101704 21.031827 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=979) -1 -13.626006 0.694979 20.505888 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=980) -1 -6.771651 -2.655385 -14.313616 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=980) -1 -6.327059 -2.462624 -15.152982 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=980) -1 -6.658201 -1.789815 -13.849181 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=981) -1 -28.108819 -18.041898 -7.295727 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=981) -1 -27.205124 -17.785263 -7.597480 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=981) -1 -28.623975 -17.296742 -7.690628 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=982) -1 23.583271 14.619819 -9.171664 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=982) -1 23.712569 14.775414 -8.211313 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=982) -1 22.624632 14.846481 -9.249436 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=983) -1 35.718605 -0.142608 3.957290 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=983) -1 35.589494 -0.118355 2.973444 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=983) -1 36.011266 0.792086 4.081901 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=984) -1 -19.544903 30.081322 -5.796261 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=984) -1 -18.582494 30.311431 -5.676215 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=984) -1 -19.841647 30.872021 -6.273172 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=985) -1 -1.108778 9.831200 -2.176620 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=985) -1 -0.987651 9.427039 -3.060270 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=985) -1 -0.851570 9.075885 -1.603110 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=986) -1 -26.201858 -3.130768 -12.193427 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=986) -1 -26.745104 -2.940580 -11.403444 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=986) -1 -25.952920 -4.072175 -11.989673 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=987) -1 6.582617 -10.089966 3.953912 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=987) -1 6.225753 -9.195993 3.735631 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=987) -1 7.468748 -9.814810 4.297579 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=988) -1 7.860600 1.034951 -14.935276 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=988) -1 8.359809 0.327512 -14.458325 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=988) -1 6.992499 0.945031 -14.462714 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=989) -1 -5.773883 8.636516 -7.085049 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=989) -1 -5.791237 9.437364 -6.523304 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=989) -1 -4.829541 8.384648 -7.005982 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=990) -1 -5.798787 -13.162758 -13.932358 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=990) -1 -6.767945 -13.186126 -13.697177 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=990) -1 -5.875295 -13.024502 -14.891205 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=991) -1 17.604286 4.763500 -19.653260 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=991) -1 17.412585 5.181231 -18.773193 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=991) -1 18.355530 5.309423 -19.935283 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=992) -1 -10.301544 17.686583 -6.981065 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=992) -1 -11.181857 18.033208 -6.708552 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=992) -1 -10.404378 16.747393 -6.676680 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=993) -1 23.002030 10.709274 6.394451 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=993) -1 23.789267 11.297431 6.456442 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=993) -1 23.470052 9.862526 6.155376 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=994) -1 29.762773 -4.023305 12.364911 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=994) -1 29.545131 -3.462213 13.148585 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=994) -1 30.478996 -3.463352 11.975440 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=995) -1 13.389202 7.664238 12.086740 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=995) -1 13.807815 8.453964 12.505985 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=995) -1 14.115780 7.008653 12.237568 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=996) -1 5.641014 3.421103 -12.672385 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=996) -1 5.665581 2.472736 -12.949874 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=996) -1 6.347333 3.768598 -13.270561 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=997) -1 -16.127494 15.224446 -12.540728 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=997) -1 -15.438052 14.781707 -11.978567 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=997) -1 -16.519899 14.441773 -12.963408 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=998) -1 -12.429085 10.920983 5.524502 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=998) -1 -12.164867 10.238836 6.196725 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=998) -1 -12.269841 10.366268 4.711747 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=999) -1 -23.441533 11.132141 9.885052 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=999) -1 -23.215565 10.423584 10.523212 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=999) -1 -22.991336 10.761028 9.081318 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1000) -1 -2.889311 -6.502836 -8.538507 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1000) -1 -2.091835 -6.970593 -8.201892 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1000) -1 -2.917924 -5.756138 -7.892389 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1002) -1 -19.864644 1.667516 -16.077527 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1002) -1 -20.045419 0.703066 -16.234310 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1002) -1 -19.339666 1.567019 -15.231387 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1003) -1 -20.612615 -5.242952 -14.101702 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1003) -1 -20.021135 -5.317239 -13.317782 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1003) -1 -20.020557 -4.703283 -14.685782 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1004) -1 -8.657663 -15.347492 -9.282599 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1004) -1 -9.366014 -14.709527 -9.018540 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1004) -1 -9.108042 -16.187848 -9.041799 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1005) -1 10.861191 5.823095 9.029064 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1005) -1 10.059599 5.875193 8.469907 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1005) -1 11.139543 4.891409 8.831810 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1006) -1 -24.732425 -1.407624 0.694132 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1006) -1 -25.446713 -0.822683 0.325733 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1006) -1 -24.817075 -2.156434 0.054188 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1007) -1 -21.141672 8.821197 2.756702 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1007) -1 -21.535896 8.130425 3.348468 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1007) -1 -20.369653 9.074166 3.313025 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1008) -1 13.031695 -15.779007 2.104326 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1008) -1 13.549367 -15.102457 1.614957 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1008) -1 12.121261 -15.426535 1.964584 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1009) -1 -0.766013 -7.176820 18.617755 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1009) -1 -1.347794 -6.399909 18.825705 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1009) -1 -1.340349 -7.614509 17.941056 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1010) -1 -18.785560 -7.505970 16.023318 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1010) -1 -18.603015 -7.212770 15.092543 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1010) -1 -18.249954 -8.338588 16.013625 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1011) -1 -25.960492 -20.273984 -9.180292 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1011) -1 -25.784977 -19.341754 -8.908212 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1011) -1 -26.600221 -20.529577 -8.478833 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1012) -1 -27.111078 -2.590967 -9.609594 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1012) -1 -26.190440 -2.926738 -9.477491 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1012) -1 -27.366113 -2.496100 -8.650352 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1013) -1 4.643038 -7.229124 -1.627971 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1013) -1 5.401035 -6.650559 -1.375651 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1013) -1 4.085339 -6.543592 -2.082557 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1014) -1 -20.405858 -0.949674 -16.199907 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1014) -1 -20.933327 -1.235692 -15.414751 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1014) -1 -20.680283 -1.644641 -16.838958 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1015) -1 13.501828 0.952819 -18.976606 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1015) -1 12.681288 0.781517 -18.446873 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1015) -1 14.079310 0.260691 -18.546203 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1016) -1 36.128447 2.496679 3.264103 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1016) -1 36.421053 3.349036 2.847561 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1016) -1 35.983579 1.969098 2.446736 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1017) -1 20.936627 7.854464 -12.424299 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1017) -1 21.027060 6.873342 -12.377031 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1017) -1 20.477678 7.924372 -13.299383 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1018) -1 -2.661559 -16.738751 13.458424 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1018) -1 -2.600750 -17.726649 13.359815 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1018) -1 -3.545480 -16.616288 13.018747 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1019) -1 -22.353262 7.752544 -4.274508 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1019) -1 -21.710852 7.095925 -4.621827 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1019) -1 -23.172046 7.203457 -4.289963 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1020) -1 23.310750 11.865183 1.986411 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1020) -1 22.702441 11.830856 2.767646 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1020) -1 24.164708 11.748478 2.421957 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1021) -1 9.236537 -4.401833 -14.859494 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1021) -1 10.178687 -4.327704 -14.594749 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1021) -1 8.890397 -4.939949 -14.113516 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1022) -1 19.458543 -14.236435 9.830214 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1022) -1 20.390492 -14.500956 10.009737 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1022) -1 19.440878 -14.366695 8.855077 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1023) -1 -5.578046 3.250383 -10.951866 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1023) -1 -4.706158 3.470715 -11.378216 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1023) -1 -5.346624 2.340326 -10.638129 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1024) -1 20.666597 15.809984 13.751100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1024) -1 21.627645 15.847911 13.576079 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1024) -1 20.322005 16.157332 12.894629 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1025) -1 21.655317 -14.278182 1.499842 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1025) -1 21.532922 -13.873833 0.630666 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1025) -1 20.728380 -14.554035 1.708483 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1026) -1 14.899205 -4.796231 15.758799 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1026) -1 15.717752 -5.155916 15.358652 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1026) -1 14.681179 -4.087920 15.114275 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1027) -1 12.724813 13.430425 14.187273 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1027) -1 13.378856 13.023744 13.564176 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1027) -1 11.904884 12.996461 13.851919 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1028) -1 -15.419389 15.907693 6.525086 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1028) -1 -16.010462 15.236331 6.947832 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1028) -1 -15.066999 15.350568 5.786341 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1029) -1 1.806210 7.612400 4.028287 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1029) -1 2.416934 7.578359 4.794826 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1029) -1 1.975395 6.727933 3.636232 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1030) -1 -18.035735 25.487137 -1.028950 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1030) -1 -18.732221 25.869665 -1.617841 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1030) -1 -18.615298 24.912513 -0.467993 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1031) -1 17.442376 10.626476 13.312252 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1031) -1 18.397207 10.381346 13.357439 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1031) -1 17.479538 11.195952 12.500428 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1032) -1 -17.741041 -14.472016 -16.355368 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1032) -1 -18.450739 -14.959208 -15.875144 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1032) -1 -17.728142 -13.646064 -15.816262 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1033) -1 -28.262604 -20.621948 -0.987071 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1033) -1 -27.622392 -20.293293 -1.661871 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1033) -1 -27.674557 -21.277708 -0.527773 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1034) -1 -22.298139 2.461603 -14.851642 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1034) -1 -22.548735 1.675506 -14.327779 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1034) -1 -21.533114 2.115819 -15.350742 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1035) -1 0.240438 -15.309712 -2.405026 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1035) -1 0.003324 -15.869995 -1.621375 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1035) -1 -0.433315 -15.654391 -3.039973 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1036) -1 -15.811298 27.279827 3.768332 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1036) -1 -15.043210 27.153831 3.167201 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1036) -1 -15.335559 27.265632 4.630707 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1037) -1 5.914191 5.641073 6.520354 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1037) -1 6.839344 5.864530 6.740974 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1037) -1 6.053031 5.050797 5.743540 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1038) -1 -11.747265 26.058001 -11.166041 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1038) -1 -12.088418 26.970439 -11.152905 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1038) -1 -10.799321 26.224367 -10.952084 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1039) -1 12.367411 11.756807 -13.336107 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1039) -1 12.108960 10.807942 -13.242490 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1039) -1 11.467631 12.144030 -13.482602 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1040) -1 12.484876 3.318268 -19.955402 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1040) -1 12.926954 2.453781 -19.774622 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1040) -1 11.749380 3.255954 -19.304954 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1041) -1 -26.409244 0.131488 4.293372 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1041) -1 -25.417631 0.137159 4.278318 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1041) -1 -26.550774 -0.616498 4.913509 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1042) -1 -10.216617 -18.337703 -13.818365 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1042) -1 -9.835691 -19.196069 -13.589045 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1042) -1 -9.446565 -17.744834 -13.628274 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1043) -1 -10.201564 8.609930 15.492715 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1043) -1 -10.141261 7.824385 16.083131 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1043) -1 -10.674224 8.193683 14.726617 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1044) -1 -25.194561 12.184297 8.052242 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1044) -1 -25.040368 11.418785 7.457069 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1044) -1 -24.726889 11.868618 8.856780 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1045) -1 -22.796564 -5.948050 -12.572654 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1045) -1 -22.059946 -5.752685 -13.197411 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1045) -1 -22.389241 -6.694804 -12.075972 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1046) -1 -30.109439 -16.755067 -4.034339 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1046) -1 -30.377641 -15.815653 -4.158231 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1046) -1 -30.680526 -16.982374 -3.260858 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1047) -1 -8.298054 15.500845 3.289225 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1047) -1 -7.564704 14.851854 3.344444 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1047) -1 -8.650958 15.285802 2.398905 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1048) -1 -10.179372 -10.790953 -13.854517 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1048) -1 -10.805465 -10.531807 -13.142562 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1048) -1 -9.410459 -10.212378 -13.593541 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1049) -1 -1.474377 12.195088 7.257636 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1049) -1 -1.990178 11.678321 7.908614 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1049) -1 -0.578474 11.819358 7.399989 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1050) -1 13.581476 18.302749 -5.472844 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1050) -1 13.664796 18.568016 -4.528351 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1050) -1 14.044081 17.433020 -5.433701 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1051) -1 -23.262713 3.874746 2.895868 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1051) -1 -23.781001 3.460160 3.619046 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1051) -1 -23.732516 4.738085 2.828297 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1052) -1 -27.073232 -17.543276 -15.018756 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1052) -1 -27.310246 -16.597583 -14.916869 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1052) -1 -26.116740 -17.453972 -15.234850 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1053) -1 -7.734795 27.386965 -1.681460 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1053) -1 -8.065975 26.508684 -1.973711 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1053) -1 -7.551703 27.191629 -0.738259 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1054) -1 18.780140 -0.097241 -18.484743 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1054) -1 19.730176 -0.075780 -18.223231 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1054) -1 18.771192 0.653729 -19.122496 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1055) -1 -24.484037 16.220461 1.032031 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1055) -1 -24.507746 15.397243 1.577658 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1055) -1 -23.507868 16.353961 0.994353 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1056) -1 11.850521 -3.700113 -14.266353 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1056) -1 11.735286 -2.932172 -14.869203 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1056) -1 12.737859 -4.015904 -14.579588 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1057) -1 23.515154 14.519185 10.894259 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1057) -1 22.558262 14.473016 10.622508 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1057) -1 23.422987 15.177147 11.625369 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1058) -1 29.419587 9.577079 -10.502833 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1058) -1 30.098554 9.298131 -11.151816 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1058) -1 28.721637 8.914513 -10.701749 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1059) -1 -5.264647 2.694329 21.220863 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1059) -1 -5.505840 3.529806 20.746427 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1059) -1 -4.299294 2.734255 21.154317 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1060) -1 -18.938073 9.979928 14.700267 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1060) -1 -19.185001 10.099106 15.630475 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1060) -1 -18.607064 9.046097 14.727469 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1061) -1 -24.959962 4.795703 -9.448276 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1061) -1 -25.413224 5.006278 -8.606153 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1061) -1 -25.087049 3.809626 -9.451283 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1062) -1 9.114120 -14.230733 8.153927 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1062) -1 9.555046 -13.517063 7.637255 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1062) -1 9.921355 -14.766717 8.379518 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1063) -1 21.281822 -0.346598 -17.467988 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1063) -1 20.957077 -1.234962 -17.180254 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1063) -1 21.653362 -0.032840 -16.613098 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1064) -1 35.923385 -1.814712 -0.010418 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1064) -1 36.604922 -2.530235 0.063744 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1064) -1 35.375101 -2.209255 -0.734804 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1065) -1 -17.839780 -18.262683 -15.266819 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1065) -1 -17.102546 -18.822021 -14.929076 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1065) -1 -17.337738 -17.707866 -15.908046 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1066) -1 -7.865409 18.823302 -1.623765 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1066) -1 -7.757912 17.914395 -1.244650 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1066) -1 -7.888646 19.341452 -0.787498 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1067) -1 16.462684 22.742833 3.776146 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1067) -1 16.671949 23.088753 2.897019 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1067) -1 16.704355 21.792322 3.660136 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1068) -1 2.263685 -10.551801 -1.913818 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1068) -1 3.171073 -10.445682 -1.552528 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1068) -1 2.123717 -11.511480 -1.737201 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1069) -1 -19.384511 4.266163 -15.152725 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1069) -1 -19.650945 3.546210 -15.770492 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1069) -1 -19.509021 3.780925 -14.297875 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1070) -1 9.332475 -5.570647 -10.080144 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1070) -1 10.275578 -5.516136 -9.809913 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1070) -1 9.157029 -6.518133 -9.876282 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1071) -1 -8.619910 23.893531 1.267732 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1071) -1 -8.477431 23.471395 0.393220 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1071) -1 -8.261137 23.177240 1.850634 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1072) -1 -13.483291 -7.796928 -14.842480 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1072) -1 -13.878172 -8.509180 -14.286047 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1072) -1 -12.826052 -8.350429 -15.340068 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1073) -1 -15.211688 12.651960 2.651793 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1073) -1 -14.761500 11.943518 2.118237 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1073) -1 -15.541469 13.206860 1.911813 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1074) -1 -11.543035 -19.235341 3.739713 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1074) -1 -11.890326 -20.085812 4.100385 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1074) -1 -11.133369 -18.880650 4.569389 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1075) -1 -19.128713 -3.567087 -15.644210 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1075) -1 -19.662139 -3.537737 -16.468422 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1075) -1 -18.991720 -2.615589 -15.490043 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1077) -1 28.797747 5.469983 13.670470 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1077) -1 28.603797 4.599136 13.259673 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1077) -1 29.545151 5.197950 14.262297 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1078) -1 -11.082883 -20.419980 9.437838 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1078) -1 -10.635859 -19.814322 10.082366 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1078) -1 -11.646356 -19.759372 8.972831 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1079) -1 24.415647 11.670705 -3.458087 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1079) -1 24.791269 12.342385 -4.082509 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1079) -1 23.522608 12.067256 -3.327360 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1080) -1 -23.011206 5.735438 -7.049487 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1080) -1 -23.241165 4.771743 -7.112562 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1080) -1 -23.579420 5.968046 -6.275646 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1081) -1 -7.986591 20.063752 -13.723325 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1081) -1 -7.605301 20.260993 -14.586121 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1081) -1 -8.458496 20.900506 -13.519849 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1082) -1 -27.688574 -18.709374 -10.805577 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1082) -1 -28.039805 -18.969105 -11.685846 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1082) -1 -27.156905 -19.488530 -10.576675 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1083) -1 -6.024381 23.555708 -7.619193 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1083) -1 -6.224808 23.170904 -6.744009 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1083) -1 -5.986244 22.751184 -8.173945 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1084) -1 14.844024 -0.899627 -17.574223 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1084) -1 14.766030 -1.234250 -16.655029 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1084) -1 15.656738 -1.402586 -17.847015 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1085) -1 -4.419930 -5.243907 21.297840 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1085) -1 -5.240830 -4.812952 21.631546 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1085) -1 -3.866615 -4.442272 21.157095 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1086) -1 6.416298 -9.490117 1.144538 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1086) -1 6.246538 -8.733468 1.759211 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1086) -1 6.671325 -10.171134 1.800133 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1087) -1 0.265200 9.337454 2.712020 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1087) -1 0.861769 8.666747 3.145523 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1087) -1 0.367223 10.057604 3.395002 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1089) -1 -17.305264 -22.206067 -0.555539 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1089) -1 -16.880300 -21.352288 -0.748470 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1089) -1 -16.554649 -22.670520 -0.107644 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1090) -1 -20.463460 8.684998 6.220706 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1090) -1 -20.994502 8.094725 5.622397 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1090) -1 -20.181600 8.014438 6.883399 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1091) -1 -26.625702 -19.628025 -2.946746 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1091) -1 -27.075885 -18.743742 -3.004297 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1091) -1 -25.787029 -19.328389 -2.512893 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1092) -1 -24.041694 -0.823551 -10.899027 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1092) -1 -24.078676 -1.703345 -10.466952 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1092) -1 -24.929915 -0.483158 -10.680302 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1093) -1 -15.101354 13.787881 -8.677082 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1093) -1 -16.018999 13.411387 -8.776303 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1093) -1 -14.876189 13.865122 -9.634758 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1094) -1 -13.025289 19.554277 -13.709593 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1094) -1 -12.144406 19.110510 -13.803365 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1094) -1 -13.576110 18.743547 -13.555627 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1095) -1 -27.525924 2.587199 -5.939126 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1095) -1 -28.326327 2.242081 -5.488132 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1095) -1 -27.427456 1.889052 -6.634916 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1096) -1 -22.890312 2.420279 10.987138 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1096) -1 -23.420997 2.417742 10.143850 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1096) -1 -23.500072 1.942770 11.567051 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1097) -1 27.394137 11.985309 -6.536918 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1097) -1 27.444030 11.546463 -7.421656 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1097) -1 27.410885 11.165102 -5.972672 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1098) -1 25.144329 -6.502572 -18.327275 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1098) -1 24.527055 -6.996888 -17.750656 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1098) -1 25.061448 -5.604556 -17.955280 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1099) -1 -23.162171 -25.238246 -6.605967 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1099) -1 -22.282823 -25.154548 -7.045487 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1099) -1 -23.099007 -24.479908 -5.981514 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1100) -1 -17.000398 30.810782 -5.638564 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1100) -1 -16.250087 31.183355 -5.119828 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1100) -1 -16.499895 30.483280 -6.423980 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1101) -1 -13.704575 -17.678474 19.147240 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1101) -1 -13.147832 -18.266024 19.671039 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1101) -1 -13.472700 -17.962186 18.232102 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1102) -1 -2.287391 -8.600323 20.453216 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1102) -1 -1.896141 -9.477661 20.358205 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1102) -1 -1.664585 -8.053418 19.929580 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1103) -1 25.512309 7.959739 -5.490627 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1103) -1 24.841219 8.261084 -4.843542 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1103) -1 25.218176 7.043136 -5.647905 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1104) -1 -10.055653 -16.739044 14.871883 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1104) -1 -10.489411 -17.156711 14.077654 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1104) -1 -9.196263 -17.221111 14.844917 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1105) -1 -29.124654 0.400367 -5.196104 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1105) -1 -28.696820 0.371364 -6.083126 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1105) -1 -29.597656 -0.473793 -5.236694 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1106) -1 -22.758032 12.001212 -6.348225 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1106) -1 -23.652350 12.334443 -6.199058 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1106) -1 -22.219198 12.799166 -6.151820 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1107) -1 35.078416 -0.682418 8.790929 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1107) -1 34.774292 0.021217 8.171578 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1107) -1 35.132318 -1.438002 8.159337 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1108) -1 27.259195 4.799723 -13.653534 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1108) -1 27.212099 4.077641 -14.302280 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1108) -1 26.407706 4.614677 -13.154463 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1109) -1 8.506578 -14.511470 -4.895920 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1109) -1 8.662181 -15.192752 -5.594069 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1109) -1 7.537841 -14.494882 -4.875317 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1110) -1 -20.913951 14.587950 -0.221154 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1110) -1 -20.632688 14.552115 -1.171006 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1110) -1 -20.013662 14.601949 0.188322 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1111) -1 -10.774892 19.316521 4.146961 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1111) -1 -10.717003 18.517098 3.593175 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1111) -1 -11.667795 19.639517 3.918472 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1112) -1 22.987094 -16.890533 7.721230 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1112) -1 22.644563 -16.586049 6.855955 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1112) -1 23.920003 -17.031795 7.519967 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1113) -1 -13.614345 26.977095 5.500909 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1113) -1 -13.419467 26.045434 5.777170 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1113) -1 -13.254491 27.458737 6.261767 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1114) -1 -17.435854 -22.235872 5.634655 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1114) -1 -17.840452 -21.718923 4.899120 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1114) -1 -18.106375 -22.912077 5.779556 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1115) -1 17.126666 -15.468249 7.588461 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1115) -1 18.068715 -15.354874 7.333879 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1115) -1 16.871482 -16.194629 6.970405 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1116) -1 16.029837 17.808818 -7.120721 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1116) -1 15.309465 18.423899 -6.891109 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1116) -1 15.712830 16.994170 -6.671158 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1117) -1 -7.183384 10.021887 12.698257 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1117) -1 -7.184674 9.617427 13.591985 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1117) -1 -7.069825 9.224191 12.142621 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1118) -1 10.492632 1.126854 12.187323 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1118) -1 9.568343 1.399748 12.384777 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1118) -1 10.306221 0.305944 11.664540 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1119) -1 -30.941856 -14.133529 -4.022803 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1119) -1 -31.455284 -13.316862 -4.136424 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1119) -1 -30.460256 -14.139256 -4.900737 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1120) -1 15.860771 -17.929867 0.509014 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1120) -1 16.622106 -17.348276 0.751603 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1120) -1 16.209204 -18.274409 -0.353450 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1121) -1 30.761642 6.006101 9.386306 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1121) -1 30.240970 6.442400 10.107844 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1121) -1 30.027297 5.769051 8.779063 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1122) -1 -11.640657 1.159313 -15.002693 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1122) -1 -11.618884 0.183215 -14.917192 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1122) -1 -12.490323 1.338292 -14.520175 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1123) -1 7.787848 -7.654323 -0.410235 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1123) -1 8.104317 -8.022636 -1.267016 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1123) -1 7.452833 -8.467032 0.015895 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1124) -1 33.584755 1.812717 -0.209274 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1124) -1 32.974670 1.306218 0.382885 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1124) -1 32.922887 2.130544 -0.870702 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1125) -1 -16.758602 27.707833 -0.064995 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1125) -1 -17.062823 26.807368 -0.326314 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1125) -1 -17.518973 27.968892 0.508512 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1126) -1 -8.006376 3.672610 13.673583 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1126) -1 -7.482250 2.880152 13.400552 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1126) -1 -7.448979 3.950347 14.447389 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1127) -1 6.298687 -2.137733 -8.903101 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1127) -1 6.123636 -2.958259 -8.358128 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1127) -1 5.698002 -1.524442 -8.414571 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1128) -1 33.822166 1.901891 11.613189 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1128) -1 33.426798 1.963001 10.721981 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1128) -1 34.430297 1.141658 11.487442 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1129) -1 28.942964 -2.073921 16.875989 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1129) -1 29.069503 -2.173157 15.893832 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1129) -1 28.017450 -1.752419 16.867084 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1130) -1 -7.018638 12.542056 -3.327692 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1130) -1 -7.055824 13.481063 -3.081213 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1130) -1 -6.208702 12.270144 -2.817486 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1131) -1 1.605122 -14.431516 -4.700288 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1131) -1 1.212647 -14.785364 -3.870122 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1131) -1 2.504538 -14.197742 -4.360289 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1132) -1 20.541499 9.497967 -10.386305 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1132) -1 20.640472 8.846162 -11.129257 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1132) -1 21.083400 9.034764 -9.708247 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1133) -1 -20.197132 6.493616 10.437945 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1133) -1 -20.038986 6.554202 9.459094 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1133) -1 -20.475638 5.552475 10.488489 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1134) -1 -28.191375 -5.121825 -8.733399 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1134) -1 -27.685332 -4.725435 -7.980272 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1134) -1 -28.141258 -4.393638 -9.374023 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1136) -1 -9.779446 14.739610 5.373570 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1136) -1 -9.255546 15.166916 4.649641 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1136) -1 -10.560375 15.334922 5.379844 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1137) -1 -4.279261 -9.841382 -10.504759 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1137) -1 -4.221407 -8.894515 -10.747266 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1137) -1 -4.606840 -9.729034 -9.563872 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1138) -1 -28.584490 -26.927865 -5.126792 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1138) -1 -28.100959 -27.643419 -5.587203 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1138) -1 -28.017193 -26.837745 -4.324965 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1139) -1 24.111898 12.392296 -10.700684 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1139) -1 23.141486 12.253902 -10.516939 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1139) -1 24.206993 13.264232 -10.236092 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1140) -1 -16.051627 18.457301 6.076666 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1140) -1 -15.921768 17.510647 6.341067 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1140) -1 -15.262453 18.558648 5.500158 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1141) -1 -11.834778 11.474022 -7.684158 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1141) -1 -11.945692 11.030264 -8.558846 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1141) -1 -11.695251 10.671256 -7.122668 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1142) -1 2.031208 -9.891837 3.692495 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1142) -1 1.549359 -9.669234 4.508858 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1142) -1 2.024913 -10.869993 3.726914 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1143) -1 -7.864694 13.562352 15.960297 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1143) -1 -7.355570 12.847715 16.434177 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1143) -1 -7.885160 13.137631 15.066062 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1144) -1 27.021083 -12.506424 -12.869441 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1144) -1 27.072502 -11.708237 -13.449326 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1144) -1 26.380876 -13.042196 -13.385439 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1145) -1 -14.515578 -25.499676 -0.456629 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1145) -1 -14.851169 -24.707712 0.024851 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1145) -1 -14.627377 -25.171943 -1.386356 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1146) -1 14.335880 -4.321870 -14.988388 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1146) -1 15.090639 -4.891150 -15.264252 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1146) -1 14.745001 -3.437394 -15.093195 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1147) -1 -15.201894 21.144135 -13.890168 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1147) -1 -15.745930 20.476307 -13.397820 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1147) -1 -14.393212 20.587435 -14.030743 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1148) -1 -6.305684 -19.776093 9.294894 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1148) -1 -6.795767 -19.468991 10.098387 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1148) -1 -6.104808 -18.881894 8.902197 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1149) -1 15.215164 20.144124 1.148526 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1149) -1 15.060241 20.494758 0.231315 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1149) -1 15.717798 19.318212 0.883152 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1150) -1 18.982579 -8.549922 14.991670 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1150) -1 19.284361 -7.697507 14.580327 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1150) -1 18.752872 -9.050549 14.195787 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1151) -1 21.477340 5.206740 -12.064360 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1151) -1 21.257816 5.251903 -11.105360 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1151) -1 21.516095 4.248003 -12.199245 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1152) -1 10.555697 10.193725 14.956930 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1152) -1 11.496425 10.249522 15.243704 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1152) -1 10.356475 9.271523 15.179031 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1153) -1 -6.709856 -12.170102 18.698795 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1153) -1 -7.088114 -12.591713 17.878185 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1153) -1 -6.648387 -12.995415 19.248517 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1154) -1 -5.661606 -16.552354 -11.836929 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1154) -1 -5.224331 -16.863719 -11.002598 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1154) -1 -4.936192 -16.758606 -12.469728 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1155) -1 1.809447 -16.200578 5.891018 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1155) -1 2.521740 -15.564878 5.619531 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1155) -1 2.241968 -17.040455 5.662231 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1156) -1 34.870787 4.207122 0.071211 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1156) -1 34.006224 4.650424 0.226380 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1156) -1 34.554670 3.291623 -0.103375 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1157) -1 10.577137 -14.668946 1.746689 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1157) -1 10.381012 -13.845322 1.254956 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1157) -1 10.303539 -14.392068 2.654619 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1158) -1 -4.715059 11.884457 -2.142915 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1158) -1 -4.077783 11.700466 -1.422517 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1158) -1 -4.426339 11.209145 -2.800855 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1159) -1 -2.945296 -19.382916 12.994530 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1159) -1 -3.042207 -19.694081 12.062438 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1159) -1 -3.887701 -19.440208 13.275364 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1160) -1 -17.530646 -9.600629 12.556147 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1160) -1 -18.483865 -9.534951 12.273910 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1160) -1 -17.186335 -10.129535 11.805171 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1161) -1 -14.155346 13.988017 -11.220146 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1161) -1 -13.288976 14.399185 -11.005137 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1161) -1 -13.838401 13.095357 -11.512999 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1162) -1 -27.767890 -20.690561 -7.155207 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1162) -1 -27.899365 -19.707921 -7.189511 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1162) -1 -28.714055 -20.968898 -7.155966 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1163) -1 29.452301 13.061502 0.814645 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1163) -1 30.144009 12.389837 0.624041 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1163) -1 29.978541 13.868345 0.862375 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1164) -1 8.140003 -3.999056 7.679750 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1164) -1 7.688637 -3.862000 6.805148 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1164) -1 9.064551 -3.788869 7.396889 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1165) -1 -18.440908 -20.919041 3.515300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1165) -1 -18.964775 -20.079043 3.498444 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1165) -1 -18.814574 -21.330895 2.689290 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1166) -1 9.985368 14.583077 -11.211797 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1166) -1 10.013334 15.186620 -10.432450 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1166) -1 10.950301 14.357033 -11.262596 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1167) -1 -22.974235 -7.021763 10.015708 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1167) -1 -22.305031 -6.394339 9.635864 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1167) -1 -23.037902 -6.650328 10.915195 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1168) -1 25.490482 13.487514 -5.169408 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1168) -1 26.107905 13.083953 -5.818078 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1168) -1 25.045855 14.150773 -5.740376 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1169) -1 20.808181 -15.670712 -2.872016 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1169) -1 20.656231 -15.923693 -1.933870 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1169) -1 21.234218 -14.788568 -2.732296 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1170) -1 -18.490397 23.535088 2.693929 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1170) -1 -18.161122 22.642470 2.439433 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1170) -1 -19.001123 23.309642 3.499461 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1171) -1 21.488051 4.195871 14.181018 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1171) -1 20.819899 4.630314 13.607733 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1171) -1 22.292237 4.667600 13.909028 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1172) -1 0.361233 11.224512 4.571205 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1172) -1 0.640766 11.299093 5.504097 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1172) -1 -0.138904 12.047671 4.449251 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1173) -1 17.092407 7.477799 -15.012027 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1173) -1 18.028916 7.696467 -14.821369 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1173) -1 16.643566 8.193528 -14.512061 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1174) -1 31.456559 -2.128790 11.428619 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1174) -1 31.974047 -1.606331 12.083265 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1174) -1 31.520393 -1.546170 10.651306 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1175) -1 11.258734 3.293099 -17.498873 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1175) -1 11.371307 2.327251 -17.351043 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1175) -1 12.099661 3.626343 -17.112125 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1176) -1 18.510685 -16.157801 -12.577028 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1176) -1 18.545117 -16.157938 -13.565422 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1176) -1 17.545299 -16.236992 -12.438689 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1177) -1 -8.042859 -13.263607 16.677322 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1177) -1 -8.044657 -14.240742 16.771770 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1177) -1 -8.978647 -13.062926 16.881519 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1178) -1 34.340248 -6.921525 4.315843 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1178) -1 34.239884 -5.986132 4.028276 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1178) -1 34.138412 -6.838615 5.262125 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1179) -1 -29.092098 -4.332684 -4.314999 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1179) -1 -28.428192 -4.300714 -3.581268 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1179) -1 -28.817986 -5.173789 -4.737505 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1180) -1 16.577442 -17.799157 -9.162614 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1180) -1 17.559610 -17.670301 -9.124339 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1180) -1 16.371191 -17.729306 -8.205273 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1181) -1 -8.089936 -15.948292 17.247655 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1181) -1 -9.000457 -16.283076 17.374062 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1181) -1 -7.788396 -16.525615 16.513349 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1182) -1 0.819736 -0.672910 13.972322 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1182) -1 -0.041654 -1.141347 13.880190 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1182) -1 0.993208 -0.474847 13.022356 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1183) -1 -14.557514 9.551779 -12.982811 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1183) -1 -15.351162 9.243586 -13.442213 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1183) -1 -14.184337 8.689361 -12.672771 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1184) -1 -16.624506 17.569412 10.559935 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1184) -1 -17.368024 17.272763 9.975022 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1184) -1 -16.989541 17.279043 11.427738 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1185) -1 -9.149271 -20.910155 -6.882218 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1185) -1 -9.862435 -21.515822 -7.191742 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1185) -1 -8.462374 -21.584242 -6.650013 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1186) -1 -4.152878 10.020162 -4.016296 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1186) -1 -4.026751 9.091422 -3.693053 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1186) -1 -3.345926 10.068461 -4.599969 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1187) -1 -7.425809 -22.690541 -5.846951 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1187) -1 -6.893742 -23.486613 -5.734098 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1187) -1 -7.446214 -22.343153 -4.924299 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1188) -1 -29.910406 20.062126 -2.109059 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1188) -1 -30.673456 19.542302 -2.402868 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1188) -1 -29.485506 19.404409 -1.492291 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1189) -1 -2.191909 -4.100279 -11.515592 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1189) -1 -2.435809 -4.682038 -12.278505 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1189) -1 -1.486148 -4.630208 -11.112232 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1190) -1 1.336312 -3.292001 -6.288633 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1190) -1 1.668184 -2.546881 -6.827237 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1190) -1 1.851260 -3.157474 -5.461739 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1191) -1 -3.509076 10.566819 8.372405 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1191) -1 -3.997970 9.946902 8.960127 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1191) -1 -4.247533 11.178783 8.134974 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1192) -1 25.116881 -8.708826 12.492880 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1192) -1 24.419040 -8.654564 13.192405 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1192) -1 25.445929 -7.781411 12.524377 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1193) -1 -22.732249 5.053525 -14.259560 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1193) -1 -22.633082 4.123621 -14.586097 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1193) -1 -23.178824 4.872813 -13.403782 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1194) -1 14.826799 -20.423169 -1.050248 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1194) -1 14.855355 -20.117033 -0.134270 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1194) -1 15.590585 -19.947164 -1.438261 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1195) -1 -24.547105 2.788034 5.023217 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1195) -1 -23.882180 2.996776 5.721949 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1195) -1 -24.266138 1.856289 4.821003 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1196) -1 -3.014062 3.309827 -11.840702 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1196) -1 -2.199323 3.741035 -12.139059 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1196) -1 -2.684576 2.402423 -11.655682 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1197) -1 22.501703 -4.186010 -12.457077 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1197) -1 22.773642 -4.183812 -11.504709 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1197) -1 22.185434 -3.260896 -12.530584 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1198) -1 24.196818 -9.978513 3.420042 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1198) -1 24.045724 -10.477118 2.602136 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1198) -1 24.508911 -10.708191 4.012678 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1199) -1 29.811379 -7.287275 -0.334700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1199) -1 29.431144 -8.154172 -0.621696 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1199) -1 30.765102 -7.474720 -0.527647 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1200) -1 -14.072846 17.003367 15.797328 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1200) -1 -13.170792 17.379750 15.767596 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1200) -1 -13.861943 16.114696 16.178243 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1201) -1 -23.359065 18.121623 6.026742 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1201) -1 -23.412063 17.536200 6.828998 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1201) -1 -23.878980 17.538547 5.409935 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1202) -1 22.185497 -14.910150 9.567357 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1202) -1 22.218267 -14.480705 8.667317 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1202) -1 22.453751 -15.818193 9.294745 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1203) -1 21.525912 12.029883 -10.151378 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1203) -1 21.080334 11.158370 -10.241714 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1203) -1 20.786670 12.629459 -10.379820 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1204) -1 29.185165 2.258596 -5.930293 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1204) -1 29.400646 1.528728 -6.558949 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1204) -1 28.512416 2.737551 -6.464576 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1205) -1 22.317403 17.456265 -7.450835 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1205) -1 22.043622 18.378120 -7.213224 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1205) -1 21.436128 17.014830 -7.341188 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1206) -1 -15.955040 -0.831798 17.450261 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1206) -1 -16.341052 -0.465970 16.612920 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1206) -1 -16.596001 -1.584760 17.571555 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1207) -1 26.983587 -0.721690 -8.323102 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1207) -1 26.494843 -1.324187 -8.947038 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1207) -1 26.882516 0.116579 -8.864652 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1208) -1 -6.936129 -19.241858 0.431339 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1208) -1 -6.229866 -18.828467 0.976531 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1208) -1 -7.319719 -19.861428 1.091266 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1209) -1 -1.186022 -15.274716 15.146646 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1209) -1 -1.725523 -15.804135 14.500454 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1209) -1 -1.123081 -15.915907 15.871850 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1210) -1 -19.328010 -4.978185 16.981426 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1210) -1 -20.247574 -5.158398 16.705377 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1210) -1 -18.926542 -5.861110 16.808572 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1211) -1 -11.763750 9.081778 3.736537 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1211) -1 -12.390361 8.779588 3.031060 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1211) -1 -10.967589 9.237719 3.186847 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1212) -1 24.947443 -11.269289 -3.414697 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1212) -1 24.740170 -12.093233 -3.928281 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1212) -1 24.017796 -10.983251 -3.230991 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1213) -1 21.937912 -0.124960 -14.802463 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1213) -1 22.158324 0.492970 -14.078022 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1213) -1 21.198046 -0.622577 -14.406190 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1214) -1 -7.610715 21.864453 2.772626 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1214) -1 -6.697760 21.665686 3.045775 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1214) -1 -8.090922 21.543583 3.588055 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1215) -1 27.741333 4.748766 -0.344183 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1215) -1 27.445025 4.930283 0.577191 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1215) -1 28.680871 4.500914 -0.159999 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1216) -1 6.293268 -3.477362 2.654153 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1216) -1 6.447643 -4.301609 2.133754 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1216) -1 5.456880 -3.175289 2.212717 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1217) -1 8.609372 -8.645468 -2.801991 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1217) -1 8.370128 -8.027850 -3.522844 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1217) -1 9.227985 -9.237979 -3.252380 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1218) -1 -4.385863 0.931369 -9.996579 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1218) -1 -3.501343 0.880967 -10.443843 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1218) -1 -4.087065 1.283167 -9.122504 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1219) -1 25.144569 -1.799180 -9.963032 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1219) -1 24.527517 -1.044623 -9.869511 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1219) -1 24.525475 -2.541945 -10.084824 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1220) -1 13.406285 -4.872769 18.005539 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1220) -1 12.798410 -4.232708 17.618694 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1220) -1 14.055234 -4.977455 17.268246 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1221) -1 -20.474964 -7.613224 7.629275 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1221) -1 -20.626126 -6.786794 8.146863 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1221) -1 -19.795828 -7.302528 7.000156 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1222) -1 -24.293268 -3.248521 6.286819 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1222) -1 -23.804290 -2.687480 5.624040 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1222) -1 -23.576080 -3.885105 6.499825 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1223) -1 27.591857 7.489256 -13.665622 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1223) -1 27.496340 6.518979 -13.833479 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1223) -1 26.813572 7.803703 -14.196866 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1224) -1 -15.614223 6.871139 13.440869 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1224) -1 -16.358042 6.921926 12.798366 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1224) -1 -15.530475 5.891635 13.509799 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1225) -1 15.520912 17.578786 6.791993 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1225) -1 15.436513 17.478315 5.809393 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1225) -1 15.643810 16.641446 7.041324 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1226) -1 -27.603055 0.239083 -2.927729 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1226) -1 -28.254744 0.330990 -3.662214 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1226) -1 -27.524019 -0.728313 -2.883281 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1227) -1 13.287238 -13.437068 7.962486 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1227) -1 14.281688 -13.476281 7.940764 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1227) -1 13.203028 -12.657032 8.571424 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1228) -1 -9.695189 -14.714836 20.731226 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1228) -1 -10.122255 -14.383624 21.529972 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1228) -1 -10.419725 -14.617320 20.072908 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1229) -1 -22.822174 -18.435453 3.461263 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1229) -1 -23.027635 -19.215616 3.999183 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1229) -1 -22.552034 -17.799557 4.168491 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1230) -1 13.278499 4.208089 14.083619 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1230) -1 12.860329 3.321754 14.164832 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1230) -1 12.505221 4.742348 13.811960 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1231) -1 -20.739132 26.149254 -8.503217 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1231) -1 -20.107701 25.413796 -8.679082 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1231) -1 -21.576909 25.700756 -8.756987 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1232) -1 24.872666 -12.752709 -7.062930 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1232) -1 25.700489 -13.260472 -7.231263 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1232) -1 24.714414 -12.401063 -7.964936 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1233) -1 -24.602258 -8.128952 0.755901 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1233) -1 -24.724300 -7.152713 0.758448 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1233) -1 -23.659857 -8.168582 1.041531 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1234) -1 -11.624023 -10.084343 16.435511 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1234) -1 -11.917886 -9.496243 15.722881 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1234) -1 -11.287284 -9.422383 17.087722 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1235) -1 -14.437032 17.289443 -13.195070 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1235) -1 -15.093742 16.561500 -13.058451 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1235) -1 -13.610343 16.742798 -13.177389 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1236) -1 -22.606237 24.342352 -9.532913 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1236) -1 -23.411624 24.415411 -10.066630 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1236) -1 -22.029272 23.831233 -10.157661 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1237) -1 -16.699519 4.116413 -15.952983 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1237) -1 -16.099235 4.274173 -15.201487 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1237) -1 -17.561237 4.361892 -15.569560 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1238) -1 -13.116431 14.551948 16.496010 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1238) -1 -13.754861 13.871265 16.196328 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1238) -1 -12.294175 14.008014 16.532548 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1239) -1 8.241991 -1.486846 8.837620 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1239) -1 8.018324 -2.384165 8.504588 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1239) -1 8.095485 -0.964775 8.014794 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1240) -1 22.843419 1.318643 -12.529266 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1240) -1 23.456396 0.546609 -12.626971 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1240) -1 23.484689 1.947925 -12.102584 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1241) -1 5.756958 11.147575 -5.564292 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1241) -1 6.389071 11.500821 -4.885862 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1241) -1 6.316102 11.314841 -6.370740 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1242) -1 -23.329339 -20.517884 0.068775 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1242) -1 -23.718240 -21.354833 0.423846 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1242) -1 -22.462885 -20.880337 -0.244073 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1243) -1 -12.864748 29.719676 -12.775979 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1243) -1 -13.339990 30.551345 -12.553883 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1243) -1 -12.829073 29.308540 -11.879439 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1244) -1 -12.634371 -17.437195 -13.076403 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1244) -1 -11.765782 -17.751471 -13.438659 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1244) -1 -13.136597 -17.373324 -13.926932 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1245) -1 -14.313802 -17.573505 -15.167227 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1245) -1 -14.869818 -18.309993 -14.838090 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1245) -1 -14.943250 -17.143448 -15.785535 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1246) -1 -15.499779 19.765096 2.482103 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1246) -1 -14.760366 19.910778 3.103781 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1246) -1 -15.484340 18.781702 2.422683 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1247) -1 25.038200 -11.206454 13.657564 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1247) -1 24.301713 -10.881518 14.202212 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1247) -1 25.336379 -10.372762 13.238684 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1248) -1 -22.887250 6.823007 -9.484984 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1248) -1 -22.901885 6.465554 -8.558400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1248) -1 -23.650143 6.323183 -9.847575 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1249) -1 3.073130 -13.508079 12.570413 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1249) -1 2.303154 -13.470803 13.180990 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1249) -1 2.809676 -14.280452 12.020452 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1250) -1 10.344655 -16.590858 5.140613 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1250) -1 10.485240 -17.173890 4.348618 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1250) -1 11.085979 -16.918385 5.700710 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1251) -1 -6.813587 13.148607 3.551015 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1251) -1 -7.476351 12.686361 2.988916 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1251) -1 -6.101038 12.480335 3.566478 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1252) -1 -10.506676 -18.605128 6.164648 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1252) -1 -11.180280 -18.502061 6.873284 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1252) -1 -9.801853 -19.067330 6.660224 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1253) -1 37.387487 -4.027751 0.515760 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1253) -1 37.685573 -4.178095 1.440660 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1253) -1 36.765997 -4.786328 0.417961 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1254) -1 -11.259642 -20.917136 12.356398 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1254) -1 -11.382986 -21.319824 11.478517 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1254) -1 -10.768306 -20.097713 12.094208 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1255) -1 23.509406 8.875630 -12.185372 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1255) -1 22.533548 8.715919 -12.174624 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1255) -1 23.792523 7.987613 -12.523114 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1256) -1 15.127684 17.446454 4.196786 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1256) -1 15.928843 17.539586 3.611618 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1256) -1 14.566056 18.149685 3.784156 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1257) -1 -30.882781 -14.983531 -10.664642 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1257) -1 -30.638907 -15.428928 -11.499840 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1257) -1 -30.303672 -14.198051 -10.701880 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1258) -1 10.939036 -17.896366 -5.551030 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1258) -1 11.253839 -18.270109 -6.412694 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1258) -1 10.180942 -17.365357 -5.884173 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1259) -1 13.484274 4.501257 -16.477912 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1259) -1 14.406138 4.171172 -16.378945 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1259) -1 13.436332 5.075403 -15.669996 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1260) -1 27.320764 9.592474 7.203470 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1260) -1 28.015823 8.937907 6.965605 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1260) -1 26.801286 9.579855 6.359950 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1261) -1 -10.125522 1.566548 20.311280 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1261) -1 -9.802474 1.979593 19.480913 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1261) -1 -10.796463 0.945829 19.928879 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1262) -1 -19.793325 24.118447 0.452149 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1262) -1 -20.152843 23.196031 0.423373 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1262) -1 -19.300680 24.041497 1.314982 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1263) -1 -6.842247 -15.332835 0.478307 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1263) -1 -7.641784 -15.262180 -0.077469 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1263) -1 -7.242121 -15.491873 1.359276 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1264) -1 -17.902353 16.609615 12.807095 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1264) -1 -18.805823 16.895732 13.004201 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1264) -1 -18.058649 15.644067 12.636088 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1265) -1 2.550125 -12.625126 3.637748 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1265) -1 3.517282 -12.396985 3.623760 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1265) -1 2.597546 -13.425956 4.204370 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1266) -1 -12.933971 -18.113831 16.607736 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1266) -1 -13.483231 -17.477140 16.094444 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1266) -1 -12.657721 -18.704789 15.853015 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1267) -1 -18.827838 9.395924 4.113767 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1267) -1 -18.067399 9.982610 4.333181 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1267) -1 -19.198678 9.252813 5.010861 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1268) -1 -7.563923 -20.886179 4.804356 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1268) -1 -7.881100 -21.804072 4.978849 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1268) -1 -7.685187 -20.500914 5.699875 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1269) -1 9.990806 -14.281609 -2.635749 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1269) -1 10.492378 -15.130005 -2.706976 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1269) -1 9.447882 -14.355379 -3.456599 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1270) -1 -10.400171 11.209413 14.852261 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1270) -1 -10.342993 10.271364 15.167138 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1270) -1 -11.381827 11.242424 14.688035 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1271) -1 -9.184620 26.638934 -10.496496 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1271) -1 -8.717002 26.435155 -11.338834 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1271) -1 -8.586005 26.161333 -9.868085 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1272) -1 -2.525122 -12.891268 14.785674 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1272) -1 -2.146729 -13.733620 15.131037 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1272) -1 -2.283327 -12.998892 13.831545 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1273) -1 3.599442 6.467503 -5.817472 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1273) -1 3.705514 5.543792 -6.150858 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1273) -1 2.621562 6.447024 -5.650857 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1275) -1 -15.156647 -19.457092 7.377546 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1275) -1 -15.673160 -18.620139 7.260906 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1275) -1 -15.076341 -19.450465 8.355253 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1276) -1 -23.709083 -6.256588 17.047806 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1276) -1 -22.811994 -6.432918 16.668605 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1276) -1 -24.227689 -6.173313 16.236223 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1277) -1 -19.358269 -15.959245 -14.752069 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1277) -1 -19.057377 -16.879418 -14.924700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1277) -1 -18.739186 -15.759200 -13.981145 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1278) -1 -26.643066 -26.854973 -3.188414 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1278) -1 -26.581419 -26.099722 -2.562999 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1278) -1 -25.792345 -26.742361 -3.671401 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1279) -1 8.752491 0.081590 -17.352669 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1279) -1 8.306973 0.505532 -16.587988 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1279) -1 8.539813 -0.858603 -17.182974 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1280) -1 26.974043 -10.289668 -14.410853 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1280) -1 26.621282 -9.439477 -14.044094 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1280) -1 26.638082 -10.201227 -15.334958 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1281) -1 -7.649739 20.022658 -11.011967 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1281) -1 -7.584430 19.893034 -11.987513 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1281) -1 -8.600973 19.799228 -10.888424 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1282) -1 -30.154012 -21.709284 -2.571272 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1282) -1 -29.533957 -21.358229 -1.885210 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1282) -1 -30.681164 -20.894102 -2.735650 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1284) -1 10.662683 14.268760 9.055785 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1284) -1 9.987227 14.917238 8.817399 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1284) -1 11.446316 14.639019 8.579712 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1285) -1 -23.816618 3.669019 -3.083497 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1285) -1 -23.173381 3.340850 -3.776419 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1285) -1 -24.578293 3.071956 -3.321328 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1286) -1 -20.726227 10.276959 12.618831 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1286) -1 -20.769239 11.254519 12.679146 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1286) -1 -20.081477 10.091452 13.337082 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1287) -1 -10.507625 -19.177125 1.301837 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1287) -1 -11.010823 -19.101727 2.161779 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1287) -1 -9.739411 -19.703084 1.652280 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1288) -1 11.234920 -16.672923 -3.038613 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1288) -1 11.071003 -17.209667 -3.844590 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1288) -1 11.221000 -17.380263 -2.355502 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1289) -1 33.151477 7.853911 6.020102 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1289) -1 33.563064 8.373243 5.288779 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1289) -1 32.414005 7.437509 5.520304 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1290) -1 13.758472 -13.698803 5.225458 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1290) -1 13.522153 -13.646827 6.173900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1290) -1 14.311976 -12.893332 5.139732 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1291) -1 16.802433 22.909080 6.525468 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1291) -1 16.742702 23.040647 5.558388 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1291) -1 16.591939 21.956906 6.589856 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1292) -1 -10.181967 -16.761995 -6.182202 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1292) -1 -10.960628 -16.205952 -5.930556 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1292) -1 -10.384652 -16.877544 -7.144747 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1293) -1 -25.177834 2.134984 -9.472611 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1293) -1 -24.564852 1.615707 -8.906850 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1293) -1 -25.756409 1.416146 -9.801579 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1294) -1 -0.612352 -15.734994 4.783836 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1294) -1 0.288764 -15.855924 5.174306 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1294) -1 -1.049825 -16.532651 5.180567 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1295) -1 8.035812 1.340543 -10.800074 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1295) -1 7.333428 0.672720 -10.976671 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1295) -1 8.826935 0.764774 -10.864289 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1296) -1 -0.957121 -1.692653 -11.017499 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1296) -1 -1.534637 -2.386766 -11.419307 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1296) -1 -0.492346 -2.272528 -10.352323 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1297) -1 19.995351 10.762294 -14.745567 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1297) -1 19.611098 10.981038 -13.866166 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1297) -1 20.608826 11.529745 -14.846290 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1298) -1 -9.057163 -18.036513 -0.635621 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1298) -1 -8.205778 -18.401382 -0.275402 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1298) -1 -9.660750 -18.344455 0.088173 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1299) -1 19.062530 11.080826 -12.195243 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1299) -1 19.529293 10.458772 -11.594187 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1299) -1 18.130947 10.846465 -11.987049 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1300) -1 -1.514335 -16.428899 8.643234 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1300) -1 -2.363793 -16.683932 9.088138 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1300) -1 -1.846031 -15.675838 8.094924 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1301) -1 -8.684497 24.812116 -4.931409 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1301) -1 -8.261431 25.512091 -5.482229 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1301) -1 -8.009345 24.100145 -5.030900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1302) -1 -21.764205 16.739945 1.211475 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1302) -1 -21.565004 15.995650 0.584286 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1302) -1 -20.862604 16.789126 1.637431 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1303) -1 -10.005362 17.861747 -3.091843 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1303) -1 -10.050633 16.897655 -2.892909 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1303) -1 -9.229906 18.109409 -2.540327 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1304) -1 -18.699510 10.096646 -1.648134 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1304) -1 -19.373571 9.865564 -0.974135 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1304) -1 -18.060543 10.593612 -1.099739 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1305) -1 23.127164 -8.810214 14.292481 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1305) -1 22.374467 -8.400254 13.783303 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1305) -1 22.642887 -8.955645 15.146134 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1306) -1 -12.911313 29.802810 -3.253684 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1306) -1 -12.225762 29.469605 -3.888060 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1306) -1 -12.473511 29.504483 -2.411784 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1307) -1 -19.781895 6.572136 7.811642 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1307) -1 -20.258518 6.042313 7.130953 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1307) -1 -18.882745 6.596260 7.430160 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1308) -1 19.163186 16.315750 -2.362130 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1308) -1 18.788890 15.406875 -2.396018 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1308) -1 19.380001 16.439163 -3.321466 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1309) -1 14.303117 12.463194 16.192509 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1309) -1 15.129788 12.721839 15.730489 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1309) -1 13.649000 12.962588 15.652180 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1310) -1 8.006968 13.406007 -9.657865 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1310) -1 8.758585 13.286877 -9.025793 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1310) -1 8.504636 13.780586 -10.419240 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1311) -1 2.960336 -4.362967 16.532356 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1311) -1 3.900619 -4.385580 16.753986 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1311) -1 2.951208 -3.658925 15.840677 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1312) -1 32.691366 11.644385 -3.710968 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1312) -1 33.329747 11.227012 -3.085828 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1312) -1 31.885470 11.641104 -3.153416 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1313) -1 -10.737868 18.118337 -13.480193 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1313) -1 -9.924170 17.883553 -13.952233 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1313) -1 -11.163185 17.229159 -13.396728 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1314) -1 -10.567284 -22.384710 3.006704 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1314) -1 -11.209393 -22.667139 2.315555 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1314) -1 -11.209030 -22.066385 3.691153 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1315) -1 18.512304 -4.546556 -16.985824 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1315) -1 18.849569 -5.461333 -17.115209 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1315) -1 17.707788 -4.757776 -16.449999 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1316) -1 -21.213545 10.056493 -4.997421 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1316) -1 -21.712837 9.293520 -4.612200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1316) -1 -21.948532 10.545493 -5.417918 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1317) -1 -12.392751 10.062674 -9.949551 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1317) -1 -13.001140 9.641457 -9.286178 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1317) -1 -11.926072 9.249713 -10.250896 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1318) -1 -20.970659 26.506902 0.033342 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1318) -1 -20.567387 25.630278 0.240788 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1318) -1 -20.677427 26.602313 -0.902143 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1319) -1 23.026541 -15.557408 -11.201209 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1319) -1 22.861216 -15.181770 -12.096728 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1319) -1 22.247447 -16.159181 -11.135840 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1320) -1 4.410229 13.445588 -5.024002 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1320) -1 4.782858 12.587810 -5.328637 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1320) -1 3.607602 13.121929 -4.562727 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1321) -1 -9.256241 14.411547 0.942020 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1321) -1 -10.169281 14.344047 0.591893 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1321) -1 -9.128492 13.496380 1.274715 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1322) -1 -23.533646 -3.049783 2.520534 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1322) -1 -23.979702 -2.366729 1.964705 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1322) -1 -23.393744 -2.504066 3.341953 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1323) -1 2.770621 -2.520482 14.535138 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1323) -1 2.204966 -1.708342 14.527493 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1323) -1 3.131628 -2.445986 13.611179 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1324) -1 -30.412046 -21.252180 -6.867716 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1324) -1 -30.499930 -20.316800 -6.564019 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1324) -1 -30.947065 -21.693136 -6.163274 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1325) -1 -12.576174 16.150423 -4.556438 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1325) -1 -11.894434 15.736540 -5.141955 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1325) -1 -12.578029 17.054960 -4.927622 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1326) -1 -2.275888 10.330467 2.285658 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1326) -1 -1.411994 9.871779 2.222428 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1326) -1 -2.468642 10.483535 1.337257 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1327) -1 -6.083906 21.638932 -9.626810 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1327) -1 -5.240254 21.161196 -9.679356 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1327) -1 -6.680833 20.970204 -10.059884 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1328) -1 -22.951724 -9.941848 -10.927978 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1328) -1 -22.362819 -10.527366 -11.460177 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1328) -1 -22.412806 -9.120472 -10.934369 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1329) -1 -12.106413 15.863153 -13.046040 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1329) -1 -11.954990 15.631898 -12.092093 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1329) -1 -12.054882 14.939483 -13.417766 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1330) -1 28.069993 -11.873455 -6.197882 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1330) -1 27.881126 -12.692269 -6.703858 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1330) -1 27.449478 -11.253287 -6.623527 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1331) -1 -22.576174 19.815185 8.293313 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1331) -1 -22.882167 19.527896 7.415009 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1331) -1 -21.673829 20.137298 8.082434 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1332) -1 17.256210 5.887620 -17.235828 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1332) -1 17.139536 6.527473 -16.493621 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1332) -1 16.890430 5.080494 -16.813707 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1333) -1 -13.021257 2.720419 18.207739 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1333) -1 -12.808232 3.073620 19.098290 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1333) -1 -13.980702 2.532390 18.324025 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1334) -1 -12.265128 15.921141 5.492860 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1334) -1 -12.446228 15.951224 6.457710 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1334) -1 -12.884299 15.204186 5.224791 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1335) -1 -27.748121 -17.163048 -2.734372 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1335) -1 -28.511519 -17.079502 -3.354966 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1335) -1 -27.876516 -16.333510 -2.219475 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1336) -1 -17.278291 -9.651010 15.246772 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1336) -1 -17.359905 -9.634268 14.264818 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1336) -1 -17.020038 -10.566910 15.398007 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1337) -1 28.647610 3.393726 -9.829263 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1337) -1 28.672930 4.199351 -10.405332 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1337) -1 29.597245 3.223660 -9.730771 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1338) -1 -2.417209 -18.602665 0.816496 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1338) -1 -3.347014 -18.475756 1.081226 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1338) -1 -2.406147 -19.535221 0.567369 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1339) -1 -23.538706 16.049978 7.799541 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1339) -1 -22.909860 15.298069 7.933775 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1339) -1 -24.311957 15.536489 7.463839 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1340) -1 31.613478 12.669816 -5.932837 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1340) -1 32.104502 12.347166 -5.137361 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1340) -1 31.973656 12.090414 -6.614956 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1341) -1 -11.860543 28.645320 -1.046905 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1341) -1 -12.612252 28.634479 -0.408591 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1341) -1 -11.388676 27.830911 -0.747077 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1342) -1 -6.104173 -10.853238 -12.358657 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1342) -1 -5.735518 -11.629018 -12.808413 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1342) -1 -5.358533 -10.559770 -11.806907 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1343) -1 -11.176195 28.637026 -4.936898 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1343) -1 -11.010707 27.692639 -5.174265 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1343) -1 -10.455939 28.749654 -4.260677 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1344) -1 -15.953041 4.119462 16.780502 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1344) -1 -16.802704 4.253680 16.305307 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1344) -1 -16.192863 3.396010 17.386413 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1345) -1 16.740548 17.576066 -1.934033 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1345) -1 17.688242 17.301568 -1.942992 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1345) -1 16.661441 17.794252 -0.962288 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1346) -1 33.755446 9.024227 3.635697 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1346) -1 33.105060 9.725096 3.384761 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1346) -1 33.509448 8.342078 2.962640 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1347) -1 -18.957329 26.805086 -14.704956 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1347) -1 -19.263390 25.955975 -15.105062 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1347) -1 -18.854906 26.515586 -13.775275 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1348) -1 -18.117517 6.664789 12.216728 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1348) -1 -18.351648 5.711141 12.362728 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1348) -1 -18.797175 6.869836 11.526275 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1349) -1 -7.617018 -21.798162 -3.315786 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1349) -1 -8.293662 -21.148709 -2.979612 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1349) -1 -6.812050 -21.331956 -2.966292 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1350) -1 -10.365150 -8.528676 18.235395 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1350) -1 -9.815067 -9.237967 18.643150 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1350) -1 -10.144541 -7.790997 18.858003 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1351) -1 26.131377 13.952776 10.476343 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1351) -1 26.228824 13.457009 9.643175 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1351) -1 25.184516 14.215406 10.421634 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1352) -1 22.301602 -15.538823 5.341935 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1352) -1 21.462391 -15.240777 4.922747 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1352) -1 22.347983 -14.865014 6.074454 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1353) -1 9.895081 12.489506 -2.551132 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1353) -1 10.131250 12.587811 -1.590512 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1353) -1 10.786724 12.237484 -2.894362 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1354) -1 14.718065 9.823364 13.371125 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1354) -1 15.697361 9.926634 13.400386 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1354) -1 14.496230 10.703295 12.955439 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1355) -1 11.026581 -6.200984 6.066528 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1355) -1 11.286249 -7.115363 5.813251 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1355) -1 10.493340 -6.400697 6.874093 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1356) -1 30.556810 -8.002729 -4.055791 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1356) -1 29.698118 -7.645109 -3.743535 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1356) -1 30.299778 -8.941165 -4.203561 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1357) -1 -1.976608 -13.484768 -4.576843 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1357) -1 -2.812601 -13.568233 -4.080217 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1357) -1 -1.673491 -14.420928 -4.555107 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1358) -1 11.535900 15.232175 3.197414 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1358) -1 12.353023 15.068191 3.748406 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1358) -1 11.389603 16.178249 3.482258 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1359) -1 20.925937 5.659067 -9.401512 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1359) -1 20.206590 5.769170 -8.756694 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1359) -1 21.411577 6.507481 -9.267529 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1360) -1 22.173797 -15.409873 -5.341309 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1360) -1 21.668433 -15.748797 -6.100000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1360) -1 21.655768 -15.752715 -4.591609 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1361) -1 21.121409 12.542246 12.538750 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1361) -1 20.404817 12.939472 13.099498 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1361) -1 21.090414 13.204439 11.796088 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1362) -1 22.526283 -14.141972 -13.467978 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1362) -1 22.247388 -13.217441 -13.712993 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1362) -1 21.831541 -14.626175 -14.016394 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1363) -1 11.379206 0.604331 -17.308037 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1363) -1 10.406733 0.493990 -17.495802 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1363) -1 11.486909 -0.166264 -16.697723 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1364) -1 24.084785 -1.915793 -15.211452 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1364) -1 23.325609 -1.300623 -15.288040 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1364) -1 24.413312 -1.666596 -14.321155 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1365) -1 -19.663764 18.712324 -10.093461 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1365) -1 -19.288686 18.387327 -10.940385 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1365) -1 -19.517893 17.905668 -9.541910 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1366) -1 6.905544 -7.462135 -11.165614 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1366) -1 6.534543 -7.042186 -10.354956 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1366) -1 7.618630 -7.999465 -10.756814 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1367) -1 -7.460376 -17.482849 14.897369 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1367) -1 -7.339344 -17.010164 14.030912 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1367) -1 -6.824052 -18.219243 14.747396 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1368) -1 -6.685566 22.895468 -4.967824 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1368) -1 -5.829306 22.980363 -4.516040 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1368) -1 -7.049284 22.105080 -4.492414 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1369) -1 -26.484719 -24.415223 -1.938809 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1369) -1 -25.749813 -23.915612 -2.381818 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1369) -1 -27.233619 -24.111927 -2.509534 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1370) -1 12.038160 8.179662 9.716075 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1370) -1 12.579536 7.895061 10.490490 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1370) -1 11.647869 7.306264 9.467439 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1371) -1 -15.829892 13.627310 0.056589 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1371) -1 -14.954623 13.267988 -0.272825 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1371) -1 -16.346964 12.781849 -0.028358 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1372) -1 -6.613871 4.150547 15.917894 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1372) -1 -5.821001 3.589515 16.070020 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1372) -1 -6.955647 4.208989 16.838737 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1373) -1 21.313801 -9.017985 16.300342 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1373) -1 20.458864 -8.899676 15.822034 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1373) -1 21.022395 -8.931936 17.216524 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1374) -1 -17.841663 12.379330 -5.637869 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1374) -1 -18.038271 11.840017 -6.435495 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1374) -1 -16.874800 12.210279 -5.553490 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1375) -1 28.861017 -9.611506 -1.459097 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1375) -1 29.219575 -10.069202 -2.256094 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1375) -1 28.093592 -10.216908 -1.276989 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1376) -1 -10.398872 -21.643578 7.120140 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1376) -1 -9.565329 -21.113365 7.139938 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1376) -1 -10.728191 -21.423237 8.029633 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1377) -1 31.677830 2.950337 -1.805059 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1377) -1 30.892723 2.769344 -2.386355 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1377) -1 32.083567 3.678396 -2.337737 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1378) -1 -12.089606 20.812832 8.849480 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1378) -1 -13.059703 20.917839 8.737271 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1378) -1 -12.082680 20.369241 9.736580 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1379) -1 -2.043604 9.651674 -5.575799 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1379) -1 -1.188544 9.256343 -5.295279 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1379) -1 -2.393568 8.929189 -6.137747 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1380) -1 -26.988346 -4.449800 -2.627480 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1380) -1 -26.317108 -4.999997 -3.089352 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1380) -1 -26.426444 -4.053382 -1.927044 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1381) -1 -24.333108 -6.068881 19.676893 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1381) -1 -23.418225 -5.923970 19.940287 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1381) -1 -24.235507 -6.164516 18.700927 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1382) -1 -9.927036 17.121285 -9.560583 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1382) -1 -9.042500 16.723486 -9.479462 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1382) -1 -10.072165 17.394611 -8.616321 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1383) -1 -4.004186 -16.996896 -9.776282 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1383) -1 -3.153770 -16.602974 -10.064452 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1383) -1 -3.814442 -17.158467 -8.829436 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1384) -1 18.859685 7.639200 13.378071 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1384) -1 19.349773 8.483852 13.269320 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1384) -1 18.009340 7.959739 13.712478 L 1 944 1.0 2 1.0 3 1.0 4 1.0 2 3 4 5 1.0 6 1.0 7 1.0 5 6 7 8 1.0 9 1.0 8 9 10 1013 1.0 11 1.0 1015 1.0 12 1.0 11 12 13 1.0 14 1.0 13 14 15 1.0 16 1.0 15 16 17 1.0 18 1.0 22 1.0 17 18 19 1.0 20 1.0 21 1.0 19 20 21 22 23 1.0 24 1.0 23 24 25 1.0 26 1.0 25 26 27 1.0 28 1.0 29 1.0 27 28 29 30 1.0 31 1.0 30 31 32 1.0 33 1.0 32 33 34 1.0 35 1.0 46 1.0 34 35 36 1.0 37 1.0 38 1.0 36 37 38 39 1.0 44 1.0 39 40 1.0 41 1.0 40 41 42 1.0 43 1.0 42 43 44 1.0 44 45 1.0 45 46 47 1.0 48 1.0 47 48 49 1.0 50 1.0 49 50 51 1.0 52 1.0 151 1.0 51 52 53 1.0 54 1.0 55 1.0 53 54 55 56 1.0 56 57 1981 1.0 58 1.0 59 1.0 60 1.0 58 59 60 61 1.0 62 1.0 61 62 63 1.0 66 1.0 63 64 1.0 65 1.0 64 65 66 67 1.0 68 1.0 67 68 69 70 1.0 73 1.0 77 1.0 78 1.0 70 71 1.0 72 1.0 71 72 73 74 1.0 75 1.0 76 1.0 74 75 76 77 78 79 1.0 80 1.0 81 1.0 79 80 81 82 1.0 83 1.0 84 1.0 82 83 84 85 1.0 123 1.0 85 86 1.0 122 1.0 86 87 1.0 111 1.0 121 1.0 87 88 1.0 109 1.0 110 1.0 88 89 1.0 89 90 1.0 90 91 1.0 107 1.0 108 1.0 91 92 1.0 99 1.0 106 1.0 92 93 1.0 98 1.0 93 94 1.0 97 1.0 94 3780 1.0 95 1.0 96 1.0 95 96 97 98 99 100 1.0 105 1.0 100 101 1.0 104 1.0 101 3783 1.0 102 1.0 103 1.0 102 103 104 105 106 107 108 109 110 111 112 1.0 113 1.0 112 113 114 1.0 120 1.0 114 115 1.0 118 1.0 119 1.0 115 116 1.0 117 1.0 116 117 118 119 120 121 122 123 124 125 1.0 126 1.0 125 126 1.0 126 127 128 1.0 129 1.0 128 129 1.0 129 130 131 1.0 132 1.0 131 132 1.0 132 133 134 1.0 135 1.0 134 135 1.0 135 136 137 1.0 138 1.0 137 138 1.0 138 139 140 1.0 141 1.0 140 141 1.0 141 142 143 1.0 144 1.0 143 144 1.0 144 145 146 1.0 147 1.0 146 147 1.0 147 148 149 1.0 150 1.0 149 150 1.0 150 151 152 1.0 153 1.0 152 153 154 1.0 1033 1.0 154 155 1401 1.0 156 1.0 157 1.0 158 1.0 156 157 158 159 1.0 160 1.0 161 1.0 159 160 161 162 1.0 163 1.0 164 1.0 162 163 164 165 166 1.0 167 1.0 166 167 1.0 167 168 169 1.0 170 1.0 169 170 1.0 170 171 172 1.0 173 1.0 172 173 1.0 173 174 175 1.0 176 1.0 175 176 1.0 176 177 178 1.0 179 1.0 178 179 1.0 179 180 181 1.0 182 1.0 181 182 1.0 182 183 184 1.0 185 1.0 184 185 1.0 185 186 187 1.0 188 1.0 187 188 1.0 188 189 190 1.0 191 1.0 190 191 1.0 191 192 193 1.0 194 1.0 193 194 1.0 194 195 196 1.0 197 1.0 196 197 1.0 197 198 199 1.0 200 1.0 199 200 1.0 200 201 202 1.0 203 1.0 202 203 1.0 203 204 205 1.0 206 1.0 207 1.0 208 1.0 205 206 207 208 209 1.0 210 1.0 221 1.0 209 210 211 1.0 212 1.0 213 1.0 211 212 213 214 1.0 215 1.0 216 1.0 214 215 216 217 1.0 217 218 1.0 219 1.0 220 1.0 218 219 220 221 222 1.0 223 1.0 222 223 224 1.0 225 1.0 224 225 226 1.0 227 1.0 240 1.0 226 227 228 1.0 229 1.0 230 1.0 228 229 230 231 1.0 232 1.0 236 1.0 231 232 233 1.0 234 1.0 235 1.0 233 234 235 236 237 1.0 238 1.0 239 1.0 237 238 239 240 241 1.0 242 1.0 241 242 243 1.0 244 1.0 243 244 245 1.0 246 1.0 264 1.0 245 246 247 1.0 248 1.0 249 1.0 247 248 249 250 1.0 251 1.0 252 1.0 250 251 252 253 1.0 254 1.0 255 1.0 253 254 255 256 1.0 257 1.0 256 257 258 1.0 261 1.0 258 259 1.0 260 1.0 259 260 261 262 1.0 263 1.0 262 263 264 265 1.0 266 1.0 265 266 267 1.0 268 1.0 267 268 269 1.0 270 1.0 288 1.0 269 270 271 1.0 272 1.0 273 1.0 271 272 273 274 1.0 275 1.0 276 1.0 274 275 276 277 1.0 278 1.0 279 1.0 277 278 279 280 1.0 281 1.0 280 281 282 1.0 285 1.0 282 283 1.0 284 1.0 283 284 285 286 1.0 287 1.0 286 287 288 289 1.0 290 1.0 289 290 291 1.0 292 1.0 291 292 293 1.0 294 1.0 298 1.0 293 294 295 1.0 296 1.0 297 1.0 295 296 297 298 299 1.0 300 1.0 299 300 301 1.0 302 1.0 301 302 303 1.0 304 1.0 317 1.0 303 304 305 1.0 306 1.0 307 1.0 305 306 307 308 1.0 309 1.0 313 1.0 308 309 310 1.0 311 1.0 312 1.0 310 311 312 313 314 1.0 315 1.0 316 1.0 314 315 316 317 318 1.0 319 1.0 318 319 320 1.0 321 1.0 320 321 322 1.0 323 1.0 336 1.0 322 323 324 1.0 325 1.0 326 1.0 324 325 326 327 1.0 328 1.0 332 1.0 327 328 329 1.0 330 1.0 331 1.0 329 330 331 332 333 1.0 334 1.0 335 1.0 333 334 335 336 337 1.0 338 1.0 337 338 339 1.0 340 1.0 339 340 341 1.0 342 1.0 347 1.0 341 342 343 1.0 344 1.0 345 1.0 343 344 345 346 1.0 346 347 348 1.0 349 1.0 348 349 350 1.0 351 1.0 350 351 352 1.0 353 1.0 366 1.0 352 353 354 1.0 355 1.0 356 1.0 354 355 356 357 1.0 358 1.0 362 1.0 357 358 359 1.0 360 1.0 361 1.0 359 360 361 362 363 1.0 364 1.0 365 1.0 363 364 365 366 367 1.0 368 1.0 367 368 369 1.0 370 1.0 369 370 371 1.0 372 1.0 376 1.0 371 372 373 1.0 374 1.0 375 1.0 373 374 375 376 377 1.0 378 1.0 377 378 379 1.0 380 1.0 379 380 381 1.0 382 1.0 392 1.0 381 382 383 1.0 384 1.0 388 1.0 383 384 385 1.0 386 1.0 387 1.0 385 386 387 388 389 1.0 390 1.0 391 1.0 389 390 391 392 393 1.0 394 1.0 393 394 395 1.0 396 1.0 395 396 397 1.0 398 1.0 402 1.0 397 398 399 1.0 400 1.0 401 1.0 399 400 401 402 403 1.0 404 1.0 403 404 405 1.0 406 1.0 405 406 407 1.0 408 1.0 412 1.0 407 408 409 1.0 410 1.0 411 1.0 409 410 411 412 413 1.0 414 1.0 413 414 415 1.0 416 1.0 415 416 417 1.0 418 1.0 431 1.0 417 418 419 1.0 420 1.0 421 1.0 419 420 421 422 1.0 423 1.0 427 1.0 422 423 424 1.0 425 1.0 426 1.0 424 425 426 427 428 1.0 429 1.0 430 1.0 428 429 430 431 432 1.0 433 1.0 432 433 434 1.0 435 1.0 434 435 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519 1.0 518 519 520 1.0 521 1.0 520 521 522 1.0 523 1.0 532 1.0 522 523 524 1.0 525 1.0 526 1.0 524 525 526 527 1.0 528 1.0 529 1.0 527 528 529 530 1.0 531 1.0 530 531 532 533 1.0 534 1.0 533 534 535 1.0 536 1.0 535 536 537 1.0 538 1.0 547 1.0 537 538 539 1.0 540 1.0 541 1.0 539 540 541 542 1.0 543 1.0 544 1.0 542 543 544 545 1.0 546 1.0 545 546 547 548 1.0 549 1.0 548 549 550 1.0 551 1.0 550 551 552 1.0 553 1.0 562 1.0 552 553 554 1.0 555 1.0 556 1.0 554 555 556 557 1.0 558 1.0 559 1.0 557 558 559 560 1.0 561 1.0 560 561 562 563 1.0 564 1.0 563 564 565 1.0 566 1.0 565 566 567 1.0 568 1.0 574 1.0 567 568 569 1.0 570 1.0 571 1.0 569 570 571 572 1.0 573 1.0 572 573 574 575 1.0 576 1.0 575 576 577 1.0 578 1.0 577 578 579 1.0 580 1.0 591 1.0 579 580 581 1.0 582 1.0 583 1.0 581 582 583 584 1.0 589 1.0 584 585 1.0 586 1.0 585 586 587 1.0 588 1.0 587 588 589 1.0 589 590 1.0 590 591 592 1.0 593 1.0 592 593 594 1.0 595 1.0 594 595 596 1.0 597 1.0 607 1.0 596 597 598 1.0 599 1.0 603 1.0 598 599 600 1.0 601 1.0 602 1.0 600 601 602 603 604 1.0 605 1.0 606 1.0 604 605 606 607 608 1.0 609 1.0 608 609 610 1.0 611 1.0 610 611 612 1.0 613 1.0 626 1.0 612 613 614 1.0 615 1.0 616 1.0 614 615 616 617 1.0 618 1.0 622 1.0 617 618 619 1.0 620 1.0 621 1.0 619 620 621 622 623 1.0 624 1.0 625 1.0 623 624 625 626 627 1.0 628 1.0 627 628 629 1.0 630 1.0 629 630 631 1.0 632 1.0 642 1.0 631 632 633 1.0 634 1.0 638 1.0 633 634 635 1.0 636 1.0 637 1.0 635 636 637 638 639 1.0 640 1.0 641 1.0 639 640 641 642 643 1.0 644 1.0 643 644 645 1.0 646 1.0 645 646 647 1.0 648 1.0 661 1.0 647 648 649 1.0 650 1.0 651 1.0 649 650 651 652 1.0 653 1.0 657 1.0 652 653 654 1.0 655 1.0 656 1.0 654 655 656 657 658 1.0 659 1.0 660 1.0 658 659 660 661 662 1.0 663 1.0 662 663 664 1.0 665 1.0 664 665 666 1.0 667 1.0 685 1.0 666 667 668 1.0 669 1.0 670 1.0 668 669 670 671 1.0 672 1.0 673 1.0 671 672 673 674 1.0 675 1.0 676 1.0 674 675 676 677 1.0 678 1.0 677 678 679 1.0 682 1.0 679 680 1.0 681 1.0 680 681 682 683 1.0 684 1.0 683 684 685 686 1.0 687 1.0 686 687 688 1.0 689 1.0 688 689 690 1.0 691 1.0 707 1.0 690 691 692 1.0 693 1.0 694 1.0 692 693 694 695 1.0 696 1.0 697 1.0 695 696 697 698 1.0 699 1.0 700 1.0 698 699 700 701 1.0 702 1.0 703 1.0 701 702 703 704 1.0 705 1.0 706 1.0 704 705 706 707 708 1.0 709 1.0 708 709 710 1.0 711 1.0 710 711 712 1.0 713 1.0 718 1.0 712 713 714 1.0 715 1.0 716 1.0 714 715 716 717 1.0 717 718 719 1.0 720 1.0 719 720 721 1.0 722 1.0 721 722 723 1.0 724 1.0 732 1.0 723 724 725 1.0 726 1.0 727 1.0 725 726 727 728 1.0 729 1.0 728 729 730 1.0 731 1.0 730 731 732 733 1.0 734 1.0 733 734 735 1.0 736 1.0 735 736 737 1.0 738 1.0 752 1.0 737 738 739 1.0 740 1.0 741 1.0 739 740 741 742 1.0 750 1.0 742 743 1.0 744 1.0 743 744 745 1.0 746 1.0 745 746 747 1.0 748 1.0 747 748 749 1.0 750 1.0 749 750 751 1.0 751 752 753 1.0 754 1.0 753 754 755 1.0 756 1.0 755 756 757 1.0 758 1.0 762 1.0 757 758 759 1.0 760 1.0 761 1.0 759 760 761 762 763 1.0 764 1.0 763 764 765 1.0 766 1.0 765 766 767 1.0 768 1.0 777 1.0 767 768 769 1.0 770 1.0 771 1.0 769 770 771 772 1.0 773 1.0 774 1.0 772 773 774 775 1.0 776 1.0 775 776 777 778 1.0 779 1.0 778 779 780 1.0 781 1.0 780 781 782 1.0 783 1.0 787 1.0 782 783 784 1.0 785 1.0 786 1.0 784 785 786 787 788 1.0 789 1.0 788 789 790 1.0 791 1.0 790 791 792 1.0 793 1.0 806 1.0 792 793 794 1.0 795 1.0 796 1.0 794 795 796 797 1.0 798 1.0 802 1.0 797 798 799 1.0 800 1.0 801 1.0 799 800 801 802 803 1.0 804 1.0 805 1.0 803 804 805 806 807 1.0 808 1.0 807 808 809 1.0 810 1.0 809 810 811 1.0 812 1.0 816 1.0 811 812 813 1.0 814 1.0 815 1.0 813 814 815 816 817 1.0 818 1.0 817 818 819 1.0 820 1.0 819 820 821 1.0 822 1.0 826 1.0 821 822 823 1.0 824 1.0 825 1.0 823 824 825 826 827 1.0 828 1.0 827 828 829 1.0 830 1.0 829 830 831 1.0 832 1.0 843 1.0 831 832 833 1.0 834 1.0 835 1.0 833 834 835 836 1.0 841 1.0 836 837 1.0 838 1.0 837 838 839 1.0 840 1.0 839 840 841 1.0 841 842 1.0 842 843 844 1.0 845 1.0 844 845 846 1.0 847 1.0 846 847 848 1.0 849 1.0 865 1.0 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1.0 936 1.0 931 932 933 1.0 934 1.0 935 1.0 933 934 935 936 937 1.0 938 1.0 939 1.0 937 938 939 940 941 1.0 942 1.0 941 942 943 1.0 944 1.0 943 944 945 1.0 946 1.0 945 946 947 1.0 948 1.0 947 948 949 1.0 950 1.0 949 950 951 1.0 952 1.0 966 1.0 951 952 953 1.0 954 1.0 955 1.0 953 954 955 956 1.0 964 1.0 956 957 1.0 958 1.0 957 958 959 1.0 960 1.0 959 960 961 1.0 962 1.0 961 962 963 1.0 964 1.0 963 964 965 1.0 965 966 967 1.0 968 1.0 967 968 969 1.0 970 1.0 969 970 971 1.0 972 1.0 987 1.0 971 972 973 1.0 974 1.0 975 1.0 973 974 975 976 1.0 985 1.0 976 977 1.0 978 1.0 977 978 979 1.0 980 1.0 979 980 981 1.0 983 1.0 981 982 1.0 982 983 984 1.0 985 1.0 984 985 986 1.0 986 987 988 1.0 989 1.0 988 989 990 1.0 991 1.0 990 991 992 1.0 993 1.0 997 1.0 992 993 994 1.0 995 1.0 996 1.0 994 995 996 997 998 1.0 999 1.0 998 999 1000 1.0 1009 1.0 1000 1001 1.0 1002 1.0 1003 1.0 1001 1002 1003 1004 1.0 1005 1.0 1006 1.0 1004 1005 1006 1007 1.0 1008 1.0 1009 1.0 1007 1008 1009 1010 1.0 1011 1.0 1010 1011 1012 1.0 1013 1.0 1012 1013 1014 1.0 1014 1015 1016 1.0 1017 1.0 1018 1.0 1016 1017 1018 1019 1.0 1032 1.0 1019 1020 1.0 1021 1.0 1020 1021 1022 1.0 1023 1.0 1022 1023 1024 1.0 1032 1.0 1024 1025 1.0 1026 1.0 1025 1026 1027 1.0 1028 1.0 1027 1028 1029 1.0 1030 1.0 1029 1030 1031 1.0 1032 1.0 1031 1032 1033 1034 1.0 1035 1.0 1051 1.0 1034 1035 1036 1.0 1037 1.0 1038 1.0 1036 1037 1038 1039 1.0 1040 1.0 1041 1.0 1039 1040 1041 1042 1.0 1043 1.0 1044 1.0 1042 1043 1044 1045 1.0 1046 1.0 1047 1.0 1045 1046 1047 1048 1.0 1049 1.0 1050 1.0 1048 1049 1050 1051 1052 1.0 1053 1.0 1052 1053 1054 1.0 1055 1.0 1054 1055 1056 1.0 1057 1.0 1061 1.0 1056 1057 1058 1.0 1059 1.0 1060 1.0 1058 1059 1060 1061 1062 1.0 1063 1.0 1062 1063 1064 1.0 1065 1.0 1064 1065 1066 1.0 1067 1.0 1080 1.0 1066 1067 1068 1.0 1069 1.0 1070 1.0 1068 1069 1070 1071 1.0 1072 1.0 1076 1.0 1071 1072 1073 1.0 1074 1.0 1075 1.0 1073 1074 1075 1076 1077 1.0 1078 1.0 1079 1.0 1077 1078 1079 1080 1081 1.0 1082 1.0 1081 1082 1083 1.0 1084 1.0 1083 1084 1085 1.0 1086 1.0 1090 1.0 1085 1086 1087 1.0 1088 1.0 1089 1.0 1087 1088 1089 1090 1091 1.0 1092 1.0 1091 1092 1093 1.0 1102 1.0 1093 1094 1.0 1095 1.0 1096 1.0 1094 1095 1096 1097 1.0 1098 1.0 1099 1.0 1097 1098 1099 1100 1.0 1101 1.0 1102 1.0 1100 1101 1102 1103 1.0 1104 1.0 1103 1104 1105 1.0 1106 1.0 1105 1106 1107 1.0 1108 1.0 1107 1108 1109 1.0 1110 1.0 1119 1.0 1109 1110 1111 1.0 1112 1.0 1113 1.0 1111 1112 1113 1114 1.0 1115 1.0 1116 1.0 1114 1115 1116 1117 1.0 1118 1.0 1117 1118 1119 1120 1.0 1121 1.0 1120 1121 1122 1.0 1123 1.0 1122 1123 1124 1.0 1125 1.0 1140 1.0 1124 1125 1126 1.0 1127 1.0 1128 1.0 1126 1127 1128 1129 1.0 1138 1.0 1129 1130 1.0 1131 1.0 1130 1131 1132 1.0 1133 1.0 1132 1133 1134 1.0 1136 1.0 1134 1135 1.0 1135 1136 1137 1.0 1138 1.0 1137 1138 1139 1.0 1139 1140 1141 1.0 1142 1.0 1141 1142 1143 1.0 1144 1.0 1143 1144 1145 1.0 1146 1.0 1150 1.0 1145 1146 1147 1.0 1148 1.0 1149 1.0 1147 1148 1149 1150 1151 1.0 1152 1.0 1151 1152 1153 1.0 1154 1.0 1153 1154 1155 1.0 1156 1.0 1172 1.0 1155 1156 1157 1.0 1158 1.0 1159 1.0 1157 1158 1159 1160 1.0 1161 1.0 1162 1.0 1160 1161 1162 1163 1.0 1164 1.0 1165 1.0 1163 1164 1165 1166 1.0 1167 1.0 1168 1.0 1166 1167 1168 1169 1.0 1170 1.0 1171 1.0 1169 1170 1171 1172 1173 1.0 1174 1.0 1173 1174 1175 1.0 1176 1.0 1175 1176 1177 1.0 1178 1.0 1182 1.0 1177 1178 1179 1.0 1180 1.0 1181 1.0 1179 1180 1181 1182 1183 1.0 1184 1.0 1183 1184 1185 1.0 1186 1.0 1185 1186 1187 1.0 1188 1.0 1192 1.0 1187 1188 1189 1.0 1190 1.0 1191 1.0 1189 1190 1191 1192 1193 1.0 1194 1.0 1193 1194 1195 1.0 1196 1.0 1195 1196 1197 1.0 1198 1.0 1199 1.0 1197 1198 1199 1200 1.0 1201 1.0 1200 1201 1202 1.0 1203 1.0 1202 1203 1204 1.0 1205 1.0 1221 1.0 1204 1205 1206 1.0 1207 1.0 1208 1.0 1206 1207 1208 1209 1.0 1210 1.0 1211 1.0 1209 1210 1211 1212 1.0 1213 1.0 1214 1.0 1212 1213 1214 1215 1.0 1216 1.0 1217 1.0 1215 1216 1217 1218 1.0 1219 1.0 1220 1.0 1218 1219 1220 1221 1222 1.0 1223 1.0 1222 1223 1224 1.0 1225 1.0 1224 1225 1226 1.0 1227 1.0 1240 1.0 1226 1227 1228 1.0 1229 1.0 1230 1.0 1228 1229 1230 1231 1.0 1232 1.0 1236 1.0 1231 1232 1233 1.0 1234 1.0 1235 1.0 1233 1234 1235 1236 1237 1.0 1238 1.0 1239 1.0 1237 1238 1239 1240 1241 1.0 1242 1.0 1241 1242 1243 1.0 1244 1.0 1243 1244 1245 1.0 1246 1.0 1262 1.0 1245 1246 1247 1.0 1248 1.0 1249 1.0 1247 1248 1249 1250 1.0 1251 1.0 1252 1.0 1250 1251 1252 1253 1.0 1254 1.0 1255 1.0 1253 1254 1255 1256 1.0 1257 1.0 1258 1.0 1256 1257 1258 1259 1.0 1260 1.0 1261 1.0 1259 1260 1261 1262 1263 1.0 1264 1.0 1263 1264 1265 1.0 1266 1.0 1265 1266 1267 1.0 1268 1.0 1272 1.0 1267 1268 1269 1.0 1270 1.0 1271 1.0 1269 1270 1271 1272 1273 1.0 1274 1.0 1273 1274 1275 1.0 1276 1.0 1275 1276 1277 1.0 1278 1.0 1287 1.0 1277 1278 1279 1.0 1280 1.0 1281 1.0 1279 1280 1281 1282 1.0 1283 1.0 1284 1.0 1282 1283 1284 1285 1.0 1286 1.0 1285 1286 1287 1288 1.0 1289 1.0 1288 1289 1290 1.0 1291 1.0 1290 1291 1292 1.0 1293 1.0 1294 1.0 1292 1293 1294 1295 1.0 1296 1.0 1295 1296 1297 1.0 1298 1.0 1297 1298 1299 1.0 1300 1.0 1305 1.0 1299 1300 1301 1.0 1302 1.0 1303 1.0 1301 1302 1303 1304 1.0 1304 1305 1306 1.0 1307 1.0 1306 1307 1308 1.0 1309 1.0 1308 1309 1310 1.0 1311 1.0 1320 1.0 1310 1311 1312 1.0 1313 1.0 1314 1.0 1312 1313 1314 1315 1.0 1316 1.0 1317 1.0 1315 1316 1317 1318 1.0 1319 1.0 1318 1319 1320 1321 1.0 1322 1.0 1321 1322 1323 1.0 1324 1.0 1323 1324 1325 1.0 1326 1.0 1339 1.0 1325 1326 1327 1.0 1328 1.0 1332 1.0 1327 1328 1329 1.0 1330 1.0 1331 1.0 1329 1330 1331 1332 1333 1.0 1334 1.0 1335 1.0 1333 1334 1335 1336 1.0 1337 1.0 1338 1.0 1336 1337 1338 1339 1340 1.0 1341 1.0 1340 1341 1342 1.0 1343 1.0 1342 1343 1344 1.0 1345 1.0 1363 1.0 1344 1345 1346 1.0 1347 1.0 1348 1.0 1346 1347 1348 1349 1.0 1350 1.0 1351 1.0 1349 1350 1351 1352 1.0 1353 1.0 1354 1.0 1352 1353 1354 1355 1.0 1356 1.0 1355 1356 1357 1.0 1360 1.0 1357 1358 1.0 1359 1.0 1358 1359 1360 1361 1.0 1362 1.0 1361 1362 1363 1364 1.0 1365 1.0 1364 1365 1366 1.0 1367 1.0 1366 1367 1368 1.0 1369 1.0 1382 1.0 1368 1369 1370 1.0 1371 1.0 1372 1.0 1370 1371 1372 1373 1.0 1374 1.0 1378 1.0 1373 1374 1375 1.0 1376 1.0 1377 1.0 1375 1376 1377 1378 1379 1.0 1380 1.0 1381 1.0 1379 1380 1381 1382 1383 1.0 1384 1.0 1383 1384 1385 1.0 1386 1.0 1385 1386 1387 1.0 1388 1.0 1392 1.0 1387 1388 1389 1.0 1390 1.0 1391 1.0 1389 1390 1391 1392 1393 1.0 1394 1.0 1393 1394 1395 1.0 1396 1.0 1395 1396 1397 1.0 1398 1.0 1404 1.0 1397 1398 1399 1.0 1400 1.0 1401 1.0 1399 1400 1401 1402 1.0 1403 1.0 1402 1403 1404 1405 1.0 1406 1.0 1405 1406 1407 1.0 1408 1.0 1407 1408 1409 1.0 1410 1.0 1420 1.0 1409 1410 1411 1.0 1412 1.0 1416 1.0 1411 1412 1413 1.0 1414 1.0 1415 1.0 1413 1414 1415 1416 1417 1.0 1418 1.0 1419 1.0 1417 1418 1419 1420 1421 1.0 1422 1.0 1421 1422 1423 1.0 1424 1.0 1423 1424 1425 1.0 1426 1.0 1432 1.0 1425 1426 1427 1.0 1428 1.0 1429 1.0 1427 1428 1429 1430 1.0 1431 1.0 1430 1431 1432 1433 1.0 1434 1.0 1433 1434 1435 1.0 1436 1.0 1435 1436 1437 1.0 1438 1.0 1442 1.0 1437 1438 1439 1.0 1440 1.0 1441 1.0 1439 1440 1441 1442 1443 1.0 1444 1.0 1443 1444 1445 1.0 1446 1.0 1445 1446 1447 1.0 1448 1.0 1456 1.0 1447 1448 1449 1.0 1450 1.0 1454 1.0 1449 1450 1451 1.0 1452 1.0 1453 1.0 1451 1452 1453 1454 1455 1.0 1455 1456 1457 1.0 1458 1.0 1457 1458 1459 1.0 1460 1.0 1459 1460 1461 1.0 1462 1.0 1471 1.0 1461 1462 1463 1.0 1464 1.0 1465 1.0 1463 1464 1465 1466 1.0 1467 1.0 1468 1.0 1466 1467 1468 1469 1.0 1470 1.0 1469 1470 1471 1472 1.0 1473 1.0 1472 1473 1474 1.0 1475 1.0 1474 1475 1476 1.0 1477 1.0 1486 1.0 1476 1477 1478 1.0 1479 1.0 1480 1.0 1478 1479 1480 1481 1.0 1482 1.0 1483 1.0 1481 1482 1483 1484 1.0 1485 1.0 1484 1485 1486 1487 1.0 1488 1.0 1487 1488 1489 1.0 1490 1.0 1489 1490 1491 1.0 1492 1.0 1497 1.0 1491 1492 1493 1.0 1494 1.0 1495 1.0 1493 1494 1495 1496 1.0 1496 1497 1498 1.0 1499 1.0 1498 1499 1500 1.0 1501 1.0 1500 1501 1502 1.0 1503 1.0 1509 1.0 1502 1503 1504 1.0 1505 1.0 1506 1.0 1504 1505 1506 1507 1.0 1508 1.0 1507 1508 1509 1510 1.0 1511 1.0 1510 1511 1512 1.0 1513 1.0 1512 1513 1514 1.0 1515 1.0 1528 1.0 1514 1515 1516 1.0 1517 1.0 1518 1.0 1516 1517 1518 1519 1.0 1520 1.0 1524 1.0 1519 1520 1521 1.0 1522 1.0 1523 1.0 1521 1522 1523 1524 1525 1.0 1526 1.0 1527 1.0 1525 1526 1527 1528 1529 1.0 1530 1.0 1529 1530 1531 1.0 1532 1.0 1531 1532 1533 1.0 1534 1.0 1538 1.0 1533 1534 1535 1.0 1536 1.0 1537 1.0 1535 1536 1537 1538 1539 1.0 1540 1.0 1539 1540 1541 1.0 1542 1.0 1541 1542 1543 1.0 1544 1.0 1555 1.0 1543 1544 1545 1.0 1546 1.0 1547 1.0 1545 1546 1547 1548 1.0 1549 1.0 1550 1.0 1548 1549 1550 1551 1.0 1552 1.0 1551 1552 1553 1.0 1554 1.0 1553 1554 1555 1556 1.0 1557 1.0 1556 1557 1558 1.0 1559 1.0 1558 1559 1560 1.0 1561 1.0 1572 1.0 1560 1561 1562 1.0 1563 1.0 1564 1.0 1562 1563 1564 1565 1.0 1566 1.0 1567 1.0 1565 1566 1567 1568 1.0 1569 1.0 1568 1569 1570 1.0 1571 1.0 1570 1571 1572 1573 1.0 1574 1.0 1573 1574 1575 1.0 1576 1.0 1575 1576 1577 1.0 1578 1.0 1593 1.0 1577 1578 1579 1.0 1580 1.0 1581 1.0 1579 1580 1581 1582 1.0 1591 1.0 1582 1583 1.0 1584 1.0 1583 1584 1585 1.0 1586 1.0 1585 1586 1587 1.0 1589 1.0 1587 1588 1.0 1588 1589 1590 1.0 1591 1.0 1590 1591 1592 1.0 1592 1593 1594 1.0 1595 1.0 1594 1595 1596 1.0 1597 1.0 1596 1597 1598 1.0 1599 1.0 1600 1.0 1598 1599 1600 1601 1.0 1602 1.0 1601 1602 1603 1.0 1604 1.0 1603 1604 1605 1.0 1606 1.0 1616 1.0 1605 1606 1607 1.0 1608 1.0 1612 1.0 1607 1608 1609 1.0 1610 1.0 1611 1.0 1609 1610 1611 1612 1613 1.0 1614 1.0 1615 1.0 1613 1614 1615 1616 1617 1.0 1618 1.0 1617 1618 1619 1.0 1620 1.0 1619 1620 1621 1.0 1622 1.0 1640 1.0 1621 1622 1623 1.0 1624 1.0 1625 1.0 1623 1624 1625 1626 1.0 1627 1.0 1628 1.0 1626 1627 1628 1629 1.0 1630 1.0 1631 1.0 1629 1630 1631 1632 1.0 1633 1.0 1632 1633 1634 1.0 1637 1.0 1634 1635 1.0 1636 1.0 1635 1636 1637 1638 1.0 1639 1.0 1638 1639 1640 1641 1.0 1642 1.0 1641 1642 1643 1.0 1644 1.0 1643 1644 1645 1.0 1646 1.0 1647 1.0 1645 1646 1647 1648 1.0 1649 1.0 1648 1649 1650 1.0 1651 1.0 1650 1651 1652 1.0 1653 1.0 1668 1.0 1652 1653 1654 1.0 1655 1.0 1656 1.0 1654 1655 1656 1657 1.0 1666 1.0 1657 1658 1.0 1659 1.0 1658 1659 1660 1.0 1661 1.0 1660 1661 1662 1.0 1664 1.0 1662 1663 1.0 1663 1664 1665 1.0 1666 1.0 1665 1666 1667 1.0 1667 1668 1669 1.0 1670 1.0 1669 1670 1671 1.0 1680 1.0 1671 1672 1.0 1673 1.0 1674 1.0 1672 1673 1674 1675 1.0 1676 1.0 1677 1.0 1675 1676 1677 1678 1.0 1679 1.0 1680 1.0 1678 1679 1680 1681 1.0 1682 1.0 1681 1682 1683 1.0 1684 1.0 1683 1684 1685 1.0 1686 1.0 1685 1686 1687 1.0 1688 1.0 1696 1.0 1687 1688 1689 1.0 1690 1.0 1694 1.0 1689 1690 1691 1.0 1692 1.0 1693 1.0 1691 1692 1693 1694 1695 1.0 1695 1696 1697 1.0 1698 1.0 1697 1698 1699 1.0 1700 1.0 1699 1700 1701 1.0 1702 1.0 1715 1.0 1701 1702 1703 1.0 1704 1.0 1708 1.0 1703 1704 1705 1.0 1706 1.0 1707 1.0 1705 1706 1707 1708 1709 1.0 1710 1.0 1711 1.0 1709 1710 1711 1712 1.0 1713 1.0 1714 1.0 1712 1713 1714 1715 1716 1.0 1717 1.0 1716 1717 1718 1.0 1719 1.0 1718 1719 1720 1.0 1721 1.0 1737 1.0 1720 1721 1722 1.0 1723 1.0 1724 1.0 1722 1723 1724 1725 1.0 1726 1.0 1727 1.0 1725 1726 1727 1728 1.0 1729 1.0 1730 1.0 1728 1729 1730 1731 1.0 1732 1.0 1733 1.0 1731 1732 1733 1734 1.0 1735 1.0 1736 1.0 1734 1735 1736 1737 1738 1.0 1739 1.0 1738 1739 1740 1.0 1741 1.0 1740 1741 1742 1.0 1743 1.0 1757 1.0 1742 1743 1744 1.0 1745 1.0 1746 1.0 1744 1745 1746 1747 1.0 1755 1.0 1747 1748 1.0 1749 1.0 1748 1749 1750 1.0 1751 1.0 1750 1751 1752 1.0 1753 1.0 1752 1753 1754 1.0 1755 1.0 1754 1755 1756 1.0 1756 1757 1758 1.0 1759 1.0 1758 1759 1760 1.0 1761 1.0 1760 1761 1762 1.0 1763 1.0 1777 1.0 1762 1763 1764 1.0 1765 1.0 1766 1.0 1764 1765 1766 1767 1.0 1775 1.0 1767 1768 1.0 1769 1.0 1768 1769 1770 1.0 1771 1.0 1770 1771 1772 1.0 1773 1.0 1772 1773 1774 1.0 1775 1.0 1774 1775 1776 1.0 1776 1777 1778 1.0 1779 1.0 1778 1779 1780 1.0 1781 1.0 1780 1781 1782 1.0 1783 1.0 1801 1.0 1782 1783 1784 1.0 1785 1.0 1786 1.0 1784 1785 1786 1787 1.0 1788 1.0 1789 1.0 1787 1788 1789 1790 1.0 1791 1.0 1792 1.0 1790 1791 1792 1793 1.0 1794 1.0 1793 1794 1795 1.0 1798 1.0 1795 1796 1.0 1797 1.0 1796 1797 1798 1799 1.0 1800 1.0 1799 1800 1801 1802 1.0 1803 1.0 1802 1803 1804 1.0 1805 1.0 1804 1805 1806 1.0 1807 1.0 1815 1.0 1806 1807 1808 1.0 1809 1.0 1810 1.0 1808 1809 1810 1811 1.0 1812 1.0 1811 1812 1813 1.0 1814 1.0 1813 1814 1815 1816 1.0 1817 1.0 1816 1817 1818 1.0 1819 1.0 1818 1819 1820 1.0 1821 1.0 1822 1.0 1820 1821 1822 1823 1.0 1824 1.0 1823 1824 1825 1.0 1826 1.0 1825 1826 1827 1.0 1828 1.0 1834 1.0 1827 1828 1829 1.0 1830 1.0 1831 1.0 1829 1830 1831 1832 1.0 1833 1.0 1832 1833 1834 1835 1.0 1836 1.0 1835 1836 1837 1.0 1838 1.0 1837 1838 1839 1.0 1840 1.0 1848 1.0 1839 1840 1841 1.0 1842 1.0 1846 1.0 1841 1842 1843 1.0 1844 1.0 1845 1.0 1843 1844 1845 1846 1847 1.0 1847 1848 1849 1.0 1850 1.0 1849 1850 1851 1.0 1852 1.0 1851 1852 1853 1.0 1854 1.0 1858 1.0 1853 1854 1855 1.0 1856 1.0 1857 1.0 1855 1856 1857 1858 1859 1.0 1860 1.0 1859 1860 1861 1.0 1862 1.0 1861 1862 1863 1.0 1864 1.0 1869 1.0 1863 1864 1865 1.0 1866 1.0 1867 1.0 1865 1866 1867 1868 1.0 1868 1869 1870 1.0 1871 1.0 1870 1871 1872 1.0 1881 1.0 1872 1873 1.0 1874 1.0 1875 1.0 1873 1874 1875 1876 1.0 1877 1.0 1878 1.0 1876 1877 1878 1879 1.0 1880 1.0 1881 1.0 1879 1880 1881 1882 1.0 1883 1.0 1882 1883 1884 1.0 1885 1.0 1884 1885 1886 1.0 1887 1.0 1886 1887 1888 1.0 1889 1.0 1905 1.0 1888 1889 1890 1.0 1891 1.0 1892 1.0 1890 1891 1892 1893 1.0 1894 1.0 1895 1.0 1893 1894 1895 1896 1.0 1897 1.0 1898 1.0 1896 1897 1898 1899 1.0 1900 1.0 1901 1.0 1899 1900 1901 1902 1.0 1903 1.0 1904 1.0 1902 1903 1904 1905 1906 1.0 1907 1.0 1906 1907 1908 1.0 1909 1.0 1908 1909 1910 1.0 1911 1.0 1920 1.0 1910 1911 1912 1.0 1913 1.0 1914 1.0 1912 1913 1914 1915 1.0 1916 1.0 1917 1.0 1915 1916 1917 1918 1.0 1919 1.0 1918 1919 1920 1921 1.0 1922 1.0 1921 1922 1923 1.0 1924 1.0 1923 1924 1925 1.0 1926 1.0 1941 1.0 1925 1926 1927 1.0 1928 1.0 1929 1.0 1927 1928 1929 1930 1.0 1939 1.0 1930 1931 1.0 1932 1.0 1931 1932 1933 1.0 1934 1.0 1933 1934 1935 1.0 1937 1.0 1935 1936 1.0 1936 1937 1938 1.0 1939 1.0 1938 1939 1940 1.0 1940 1941 1942 1.0 1943 1.0 1942 1943 1944 1.0 1945 1.0 1944 1945 1946 1.0 1947 1.0 1955 1.0 1946 1947 1948 1.0 1949 1.0 1953 1.0 1948 1949 1950 1.0 1951 1.0 1952 1.0 1950 1951 1952 1953 1954 1.0 1954 1955 1956 1.0 1957 1.0 1956 1957 1958 1.0 1959 1.0 1958 1959 1960 1.0 1961 1.0 1965 1.0 1960 1961 1962 1.0 1963 1.0 1964 1.0 1962 1963 1964 1965 1966 1.0 1967 1.0 1966 1967 1968 1.0 1969 1.0 1968 1969 1970 1.0 1971 1.0 1972 1.0 1970 1971 1972 1973 1.0 1974 1.0 1973 1974 1975 1.0 1976 1.0 1975 1976 1977 1.0 1978 1.0 1984 1.0 1977 1978 1979 1.0 1980 1.0 1981 1.0 1979 1980 1981 1982 1.0 1983 1.0 1982 1983 1984 1985 1.0 1986 1.0 1985 1986 1987 1.0 1988 1.0 1987 1988 1989 1.0 1990 1.0 1999 1.0 1989 1990 1991 1.0 1992 1.0 1993 1.0 1991 1992 1993 1994 1.0 1995 1.0 1996 1.0 1994 1995 1996 1997 1.0 1998 1.0 1997 1998 1999 2000 1.0 2001 1.0 2000 2001 2002 1.0 2003 1.0 2002 2003 2004 1.0 2005 1.0 2009 1.0 2004 2005 2006 1.0 2007 1.0 2008 1.0 2006 2007 2008 2009 2010 1.0 2011 1.0 2010 2011 2012 1.0 2013 1.0 2012 2013 2014 1.0 2015 1.0 2021 1.0 2014 2015 2016 1.0 2017 1.0 2018 1.0 2016 2017 2018 2019 1.0 2020 1.0 2019 2020 2021 2022 1.0 2023 1.0 2022 2023 2024 1.0 2025 1.0 2024 2025 2026 1.0 2027 1.0 2033 1.0 2026 2027 2028 1.0 2029 1.0 2030 1.0 2028 2029 2030 2031 1.0 2032 1.0 2031 2032 2033 2034 1.0 2035 1.0 2034 2035 2036 1.0 2037 1.0 2036 2037 2038 1.0 2039 1.0 2052 1.0 2038 2039 2040 1.0 2041 1.0 2045 1.0 2040 2041 2042 1.0 2043 1.0 2044 1.0 2042 2043 2044 2045 2046 1.0 2047 1.0 2048 1.0 2046 2047 2048 2049 1.0 2050 1.0 2051 1.0 2049 2050 2051 2052 2053 1.0 2054 1.0 2053 2054 2055 1.0 2056 1.0 2055 2056 2057 1.0 2058 1.0 2068 1.0 2057 2058 2059 1.0 2060 1.0 2064 1.0 2059 2060 2061 1.0 2062 1.0 2063 1.0 2061 2062 2063 2064 2065 1.0 2066 1.0 2067 1.0 2065 2066 2067 2068 2069 1.0 2070 1.0 2069 2070 2071 1.0 2072 1.0 2071 2072 2073 1.0 2074 1.0 2082 1.0 2073 2074 2075 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7060 1.0 7061 1.0 7060 7061 1.0 7061 7062 7063 1.0 7064 1.0 7063 7064 1.0 7064 7065 7066 1.0 7067 1.0 7066 7067 1.0 7067 7068 7069 1.0 7070 1.0 7069 7070 1.0 7070 7071 7072 1.0 7073 1.0 7072 7073 1.0 7073 7074 7075 1.0 7076 1.0 7075 7076 1.0 7076 7077 7078 1.0 7079 1.0 7078 7079 1.0 7079 7080 7081 1.0 7082 1.0 7081 7082 1.0 7082 7083 7084 1.0 7085 1.0 7084 7085 1.0 7085 7086 7087 1.0 7088 1.0 7087 7088 1.0 7088 7089 7090 1.0 7091 1.0 7090 7091 1.0 7091 7092 7093 1.0 7094 1.0 7093 7094 1.0 7094 7095 7096 1.0 7097 1.0 7096 7097 1.0 7097 7098 7099 1.0 7100 1.0 7099 7100 1.0 7100 7101 7102 1.0 7103 1.0 7102 7103 1.0 7103 7104 7105 1.0 7106 1.0 7105 7106 1.0 7106 7107 7108 1.0 7109 1.0 7108 7109 1.0 7109 7110 7111 1.0 7112 1.0 7111 7112 1.0 7112 7113 7114 1.0 7115 1.0 7114 7115 1.0 7115 7116 7117 1.0 7118 1.0 7117 7118 1.0 7118 7119 7120 1.0 7121 1.0 7120 7121 1.0 7121 7122 7123 1.0 7124 1.0 7123 7124 1.0 7124 7125 7126 1.0 7127 1.0 7126 7127 1.0 7127 7128 7129 1.0 7130 1.0 7129 7130 1.0 7130 7131 7132 1.0 7133 1.0 7132 7133 1.0 7133 7134 7135 1.0 7136 1.0 7135 7136 1.0 7136 7137 7138 1.0 7139 1.0 7138 7139 1.0 7139 7140 7141 1.0 7142 1.0 7141 7142 1.0 7142 7143 7144 1.0 7145 1.0 7144 7145 1.0 7145 7146 7147 1.0 7148 1.0 7147 7148 1.0 7148 7149 7150 1.0 7151 1.0 7150 7151 1.0 7151 7152 7153 1.0 7154 1.0 7153 7154 1.0 7154 7155 7156 1.0 7157 1.0 7156 7157 1.0 7157 7158 7159 1.0 7160 1.0 7159 7160 1.0 7160 7161 7162 1.0 7163 1.0 7162 7163 1.0 7163 7164 7165 1.0 7166 1.0 7165 7166 1.0 7166 VDW C* 1.9080 0.0860 VDW H5 1.3590 0.0150 VDW H4 1.4090 0.0150 VDW HA 1.4590 0.0150 VDW H1 1.3870 0.0157 VDW N3 1.8240 0.1700 VDW N2 1.8240 0.1700 VDW O2 1.6612 0.2100 VDW CN 1.9080 0.0860 VDW NA 1.8240 0.1700 VDW NB 1.8240 0.1700 VDW HS 0.6000 0.0157 VDW HP 1.1000 0.0157 VDW CB 1.9080 0.0860 VDW CC 1.9080 0.0860 VDW OW 1.7683 0.1520 VDW CA 1.9080 0.0860 VDW S 2.0000 0.2500 VDW OH 1.7210 0.2104 VDW CW 1.9080 0.0860 VDW N 1.8240 0.1700 VDW O 1.6612 0.2100 VDW SH 2.0000 0.2500 VDW HC 1.4870 0.0157 VDW H 0.6000 0.0157 VDW CR 1.9080 0.0860 VDW CV 1.9080 0.0860 VDW C 1.9080 0.0860 VDW CT 1.9080 0.1094 HrmStr1 CT H1 340.00 1.0900 HrmStr1 CT HC 340.00 1.0900 HrmStr1 CT HP 340.00 1.0900 HrmStr1 N3 H 434.00 1.0100 HrmStr1 N H 434.00 1.0100 HrmStr1 N2 H 434.00 1.0100 HrmStr1 SH HS 274.00 1.3360 HrmStr1 CV H4 367.00 1.0800 HrmStr1 CR H5 367.00 1.0800 HrmStr1 NA H 434.00 1.0100 HrmStr1 OH HO 553.00 0.9600 HrmStr1 CA HA 367.00 1.0800 HrmStr1 CW H4 367.00 1.0800 HrmStr1 HW HW 553.00 1.5136 HrmStr1 OW HW 553.00 0.9572 HrmStr1 C O 570.00 1.2290 HrmStr1 C N 490.00 1.3350 HrmStr1 S CT 227.00 1.8100 HrmStr1 CT CT 310.00 1.5260 HrmStr1 CT C 317.00 1.5220 HrmStr1 N3 CT 367.00 1.4710 HrmStr1 N CT 337.00 1.4490 HrmStr1 CA N2 481.00 1.3400 HrmStr1 CT N2 337.00 1.4630 HrmStr1 CT SH 237.00 1.8100 HrmStr1 C O2 656.00 1.2500 HrmStr1 NB CV 410.00 1.3940 HrmStr1 CR NB 488.00 1.3350 HrmStr1 NA CR 477.00 1.3430 HrmStr1 CC NA 422.00 1.3850 HrmStr1 CC CV 512.00 1.3750 HrmStr1 CT CC 317.00 1.5040 HrmStr1 CT OH 320.00 1.4100 HrmStr1 CA CA 469.00 1.4000 HrmStr1 CT CA 317.00 1.5100 HrmStr1 C OH 450.00 1.3640 HrmStr1 C CA 469.00 1.4090 HrmStr1 CA CB 469.00 1.4040 HrmStr1 CN CA 469.00 1.4000 HrmStr1 CN CB 447.00 1.4190 HrmStr1 NA CN 428.00 1.3800 HrmStr1 CW NA 427.00 1.3810 HrmStr1 C* CW 546.00 1.3520 HrmStr1 C* CB 388.00 1.4590 HrmStr1 CT C* 317.00 1.4950 HrmStr1 S S 166.00 2.0380 HrmBnd1 HW HW OW 0.00 0.00 HrmBnd1 HW OW HW 0.00 0.00 HrmBnd1 H1 CT HC 35.00 109.5000 #mimick H1-CT-HC HrmBnd1 C N H 50.00 120.0001 HrmBnd1 H1 CT H1 35.00 109.5000 HrmBnd1 S CT H1 50.00 109.5000 HrmBnd1 HC CT CT 50.00 109.5000 HrmBnd1 HC CT HC 35.00 109.5000 HrmBnd1 CT CT H1 50.00 109.5000 HrmBnd1 HP CT CT 50.00 109.5000 HrmBnd1 HP CT C 50.00 109.5000 HrmBnd1 H N3 CT 50.00 109.5000 HrmBnd1 H N3 H 35.00 109.5000 HrmBnd1 N3 CT HP 50.00 109.5000 HrmBnd1 H1 CT C 50.00 109.5000 HrmBnd1 H N CT 50.00 118.0401 HrmBnd1 N CT H1 50.00 109.5000 HrmBnd1 H N2 H 35.00 120.0001 HrmBnd1 CA N2 H 50.00 120.0001 HrmBnd1 H1 CT N2 50.00 109.5000 HrmBnd1 CT N2 H 50.00 118.4001 HrmBnd1 H1 CT SH 50.00 109.5000 HrmBnd1 CT SH HS 43.00 96.0000 HrmBnd1 HC CT C 50.00 109.5000 HrmBnd1 NB CV H4 50.00 120.0001 HrmBnd1 H5 CR NB 50.00 120.0001 HrmBnd1 H NA CR 50.00 120.0001 HrmBnd1 NA CR H5 50.00 120.0001 HrmBnd1 CC NA H 50.00 120.0001 HrmBnd1 CC CV H4 50.00 120.0001 HrmBnd1 HC CT CC 50.00 109.5000 HrmBnd1 HP CT HP 35.00 109.5000 HrmBnd1 H1 CT OH 50.00 109.5000 HrmBnd1 CT OH HO 55.00 108.5000 HrmBnd1 H N H 35.00 120.0001 HrmBnd1 HA CA CA 50.00 120.0001 HrmBnd1 HC CT CA 50.00 109.5000 HrmBnd1 C OH HO 50.00 113.0000 HrmBnd1 C CA HA 50.00 120.0001 HrmBnd1 HA CA CB 50.00 120.0001 HrmBnd1 CN CA HA 50.00 120.0001 HrmBnd1 H NA CN 50.00 123.1001 HrmBnd1 H4 CW NA 50.00 120.0001 HrmBnd1 CW NA H 50.00 120.0001 HrmBnd1 C* CW H4 50.00 120.0001 HrmBnd1 HC CT C* 50.00 109.5000 HrmBnd1 O C N 80.00 122.9001 HrmBnd1 C N CT 50.00 121.9001 HrmBnd1 CT S CT 62.00 98.9000 HrmBnd1 CT CT C 63.00 111.1000 HrmBnd1 CT CT S 50.00 114.7000 HrmBnd1 CT CT CT 40.00 109.5000 HrmBnd1 CT C O 80.00 120.4001 HrmBnd1 CT C N 70.00 116.6000 HrmBnd1 N3 CT CT 80.00 111.2000 HrmBnd1 N3 CT C 80.00 111.2000 HrmBnd1 N CT CT 80.00 109.7000 HrmBnd1 N CT C 63.00 110.1000 HrmBnd1 N2 CA N2 70.00 120.0001 HrmBnd1 CT N2 CA 50.00 123.2001 HrmBnd1 CT CT N2 80.00 111.2000 HrmBnd1 CT CT SH 50.00 108.6000 HrmBnd1 O2 C O2 80.00 126.0001 HrmBnd1 CT C O2 70.00 117.0001 HrmBnd1 CT N CT 50.00 118.0001 HrmBnd1 CR NB CV 70.00 117.0001 HrmBnd1 NA CC CV 70.00 120.0001 HrmBnd1 NA CR NB 70.00 120.0001 HrmBnd1 CC NA CR 70.00 120.0001 HrmBnd1 CC CV NB 70.00 120.0001 HrmBnd1 CT CC NA 70.00 120.0001 HrmBnd1 CT CC CV 70.00 120.0001 HrmBnd1 CT CT CC 63.00 113.1000 HrmBnd1 CT CT OH 50.00 109.5000 HrmBnd1 CA CA CA 63.00 120.0001 HrmBnd1 CT CA CA 70.00 120.0001 HrmBnd1 CT CT CA 63.00 114.0000 HrmBnd1 OH C CA 70.00 120.0001 HrmBnd1 C CA CA 63.00 120.0001 HrmBnd1 CA C CA 63.00 120.0001 HrmBnd1 CA CA CB 63.00 120.0001 HrmBnd1 CA CN CB 63.00 122.7001 HrmBnd1 CN CA CA 63.00 120.0001 HrmBnd1 CN CB CA 63.00 116.2000 HrmBnd1 NA CN CA 70.00 132.8001 HrmBnd1 NA CN CB 70.00 104.4000 HrmBnd1 CW C* CB 63.00 106.4000 HrmBnd1 CW NA CN 70.00 111.6000 HrmBnd1 C* CW NA 70.00 108.7000 HrmBnd1 C* CB CN 63.00 108.8000 HrmBnd1 C* CB CA 63.00 134.9001 HrmBnd1 CT C* CW 70.00 125.0001 HrmBnd1 CT C* CB 70.00 128.6001 HrmBnd1 CT CT C* 63.00 115.6000 HrmBnd1 S S CT 68.00 103.7000 AmbTrs CT CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs O2 C CT CT 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs O2 C CT N3 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N3 CT CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT C O 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT C N 0 0 0 0 0.200 0.200 0.400 0.000 1.0 AmbTrs CT C N CT 0 180 0 0 0.000 2.500 0.000 0.000 1.0 AmbTrs C N CT C 0 0 0 0 0.000 0.270 0.420 0.000 1.0 AmbTrs C N CT CT 0 0 0 0 2.000 2.000 0.400 0.000 1.0 AmbTrs N CT C N 180 180 180 0 0.450 1.580 0.550 0.000 1.0 AmbTrs N CT C O 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N CT CT S 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT S S 0 0 0 0 0.000 0.000 0.333 0.000 1.0 AmbTrs CT N C O 0 180 0 0 0.000 2.500 0.000 0.000 1.0 AmbTrs CT S S CT 0 0 0 0 0.000 3.500 0.600 0.000 1.0 AmbTrs S CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N CT C O2 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N CT CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT CT CT 180 180 0 0 0.200 0.250 0.180 0.000 1.0 AmbTrs CT N CT C 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT N CT CT 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs C CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N CT CT CC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT CC CV 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT CC NA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CC CV NB 0 180 0 0 0.000 5.150 0.000 0.000 1.0 AmbTrs CT CC NA CR 0 180 0 0 0.000 1.400 0.000 0.000 1.0 AmbTrs CC CV NB CR 0 180 0 0 0.000 2.400 0.000 0.000 1.0 AmbTrs CC NA CR NB 0 180 0 0 0.000 2.325 0.000 0.000 1.0 AmbTrs CC CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs NA CR NB CV 0 180 0 0 0.000 5.000 0.000 0.000 1.0 AmbTrs NA CC CV NB 0 180 0 0 0.000 5.150 0.000 0.000 1.0 AmbTrs CR NA CC CV 0 180 0 0 0.000 1.400 0.000 0.000 1.0 AmbTrs N CT CT CA 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT CA CA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CA CA CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CA CA CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N CT CT OH 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs OH CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT CT N2 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT N2 CA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT N2 CA N2 0 180 0 0 0.000 2.400 0.000 0.000 1.0 AmbTrs CA CA CA C 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CA C CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CA C OH 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs N CT CT C* 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT C* CB 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT C* CW 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT C* CB CA 0 180 0 0 0.000 1.675 0.000 0.000 1.0 AmbTrs CT C* CB CN 0 180 0 0 0.000 1.675 0.000 0.000 1.0 AmbTrs CT C* CW NA 0 180 0 0 0.000 6.525 0.000 0.000 1.0 AmbTrs C* CB CA CA 0 180 0 0 0.000 3.500 0.000 0.000 1.0 AmbTrs C* CB CN CA 0 180 0 0 0.000 3.000 0.000 0.000 1.0 AmbTrs C* CB CN NA 0 180 0 0 0.000 3.000 0.000 0.000 1.0 AmbTrs C* CW NA CN 0 180 0 0 0.000 1.500 0.000 0.000 1.0 AmbTrs C* CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CW NA CN CB 0 180 0 0 0.000 1.525 0.000 0.000 1.0 AmbTrs CW NA CN CA 0 180 0 0 0.000 1.525 0.000 0.000 1.0 AmbTrs CW C* CB CA 0 180 0 0 0.000 1.675 0.000 0.000 1.0 AmbTrs CW C* CB CN 0 180 0 0 0.000 1.675 0.000 0.000 1.0 AmbTrs NA CN CB CA 0 180 0 0 0.000 3.000 0.000 0.000 1.0 AmbTrs NA CN CA CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs NA CW C* CB 0 180 0 0 0.000 6.525 0.000 0.000 1.0 AmbTrs CN CB CA CA 0 180 0 0 0.000 3.500 0.000 0.000 1.0 AmbTrs CN CA CA CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CN CB CA 0 180 0 0 0.000 3.000 0.000 0.000 1.0 AmbTrs CA CA CA CB 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CA CN CB 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs N CT CT SH 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs SH CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N3 CT C N 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N3 CT C O 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT CT S 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT S CT 0 0 0 0 0.000 0.000 0.333 0.000 1.0 AmbTrs CT CT CT HC 0 0 0 0 0.000 0.000 0.160 0.000 1.0 AmbTrs C CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs C CT N3 H 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs O2 C CT HP 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N3 CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H N3 CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H N3 CT HP 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs HP CT CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs HP CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs HC CT CT HC 0 0 0 0 0.000 0.000 0.150 0.000 1.0 AmbTrs CT C N H 0 180 0 0 0.000 2.500 0.000 0.000 1.0 AmbTrs HC CT C O 0 0 180 0 0.800 0.000 0.080 0.000 1.0 AmbTrs HC CT C N 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs C N CT H1 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N CT CT H1 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT N H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs S S CT H1 0 0 0 0 0.000 0.000 0.333 0.000 1.0 AmbTrs S CT CT H1 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs C CT N H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs C CT CT H1 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N C CT H1 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs O2 C CT H1 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs H1 CT N H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs H N C O 0 180 0 0 2.000 2.500 0.000 0.000 1.0 AmbTrs O C CT H1 0 0 180 0 0.800 0.000 0.080 0.000 1.0 AmbTrs H1 CT CT H1 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H1 CT CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H1 CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT N CT H1 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs H1 CT CT CC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CC CV H4 0 180 0 0 0.000 5.150 0.000 0.000 1.0 AmbTrs CT CC NA H 0 180 0 0 0.000 1.400 0.000 0.000 1.0 AmbTrs HC CT CC CV 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HC CT CC NA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CC NA CR H5 0 180 0 0 0.000 2.325 0.000 0.000 1.0 AmbTrs NA CC CV H4 0 180 0 0 0.000 5.150 0.000 0.000 1.0 AmbTrs H NA CR NB 0 180 0 0 0.000 2.325 0.000 0.000 1.0 AmbTrs H NA CR H5 0 180 0 0 0.000 2.325 0.000 0.000 1.0 AmbTrs H NA CC CV 0 180 0 0 0.000 1.400 0.000 0.000 1.0 AmbTrs CR NB CV H4 0 180 0 0 0.000 2.400 0.000 0.000 1.0 AmbTrs H5 CR NB CV 0 180 0 0 0.000 5.000 0.000 0.000 1.0 AmbTrs H1 CT CT CA 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CA CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HC CT CA CA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CA CA CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HA CA CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HC CT C O2 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT OH HO 0 0 0 0 0.250 0.000 0.160 0.000 1.0 AmbTrs H1 CT CT OH 0 0 0 0 0.250 0.000 0.000 0.000 1.0 AmbTrs H1 CT OH HO 0 0 0 0 0.000 0.000 0.167 0.000 1.0 AmbTrs HC CT CT OH 0 0 0 0 0.250 0.000 0.000 0.000 1.0 AmbTrs CT CT N2 H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HC CT CT N2 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H1 CT N2 CA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs H1 CT N2 H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N2 CA N2 H 0 180 0 0 0.000 2.400 0.000 0.000 1.0 AmbTrs HA CA CA C 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA C CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA C OH HO 0 180 0 0 0.000 2.300 0.000 0.000 1.0 AmbTrs HA CA C OH 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs H1 CT CT C* 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT C* CW H4 0 180 0 0 0.000 6.525 0.000 0.000 1.0 AmbTrs HC CT C* CB 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HC CT C* CW 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs C* CB CA HA 0 180 0 0 0.000 3.500 0.000 0.000 1.0 AmbTrs C* CW NA H 0 180 0 0 0.000 1.500 0.000 0.000 1.0 AmbTrs H4 CW NA CN 0 180 0 0 0.000 1.500 0.000 0.000 1.0 AmbTrs H4 CW NA H 0 180 0 0 0.000 1.500 0.000 0.000 1.0 AmbTrs H4 CW C* CB 0 180 0 0 0.000 6.525 0.000 0.000 1.0 AmbTrs NA CN CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs H NA CN CB 0 180 0 0 0.000 1.525 0.000 0.000 1.0 AmbTrs H NA CN CA 0 180 0 0 0.000 1.525 0.000 0.000 1.0 AmbTrs CN CB CA HA 0 180 0 0 0.000 3.500 0.000 0.000 1.0 AmbTrs CN CA CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HA CA CN CB 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HA CA CA CB 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CT CT SH HS 0 0 0 0 0.000 0.000 0.250 0.000 1.0 AmbTrs H1 CT CT SH 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H1 CT SH HS 0 0 0 0 0.000 0.000 0.250 0.000 1.0 AmbTrs HP CT C N 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HP CT C O 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HC CT CT S 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT S CT H1 0 0 0 0 0.000 0.000 0.333 0.000 1.0 ImpTrs CT O2 C O2 10.5 180.0 2.0 ImpTrs CT N C O 10.5 180.0 2.0 ImpTrs C CT N CT 1.0 180.0 2.0 ImpTrs CT CV CC NA 1.1 180.0 2.0 ImpTrs CA CA CA CT 1.1 180.0 2.0 ImpTrs N2 N2 CA N2 10.5 180.0 2.0 ImpTrs CA CA C OH 1.1 180.0 2.0 ImpTrs CB CT C* CW 1.1 180.0 2.0 ImpTrs C CT N H 1.1 180.0 2.0 ImpTrs C H N H 1.0 180.0 2.0 ImpTrs CC CR NA H 1.0 180.0 2.0 ImpTrs NA NB CR H5 1.1 180.0 2.0 ImpTrs CC NB CV H4 1.1 180.0 2.0 ImpTrs CA CA CA HA 1.1 180.0 2.0 ImpTrs CT CA N2 H 1.0 180.0 2.0 ImpTrs CA H N2 H 1.0 180.0 2.0 ImpTrs CA C CA HA 1.1 180.0 2.0 ImpTrs C* NA CW H4 1.1 180.0 2.0 ImpTrs CW CN NA H 1.0 180.0 2.0 ImpTrs CN CA CA HA 1.1 180.0 2.0 ImpTrs CA CB CA HA 1.1 180.0 2.0 --Link1-- %mem=54GB %nprocshared=16 %chk=domain-ab-TS3.chk # oniom(mpwpw91/6-31g(d):amber=softfirst)=embedcharge iop(3/76=0594004060) nosymm freq=(noraman,savenormalmodes,modelmodes) geom=connectivity temperature=310 pressure=1.0 3_GSHlg_GSHox-Cys53.rtf -12 1 -1 1 -1 1 C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=47) 0 -13.563556 -6.968877 0.604054 H H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=47) 0 -12.926015 -7.576042 1.246141 H H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=47) 0 -13.811377 -6.092368 1.199030 H C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=47) 0 -14.862357 -7.718565 0.348386 H H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=47) 0 -15.550832 -7.111041 -0.251694 H H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=47) 0 -14.705488 -8.648560 -0.198648 H C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=47) 0 -15.612515 -8.026780 1.661349 H O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=47) 0 -16.098801 -9.175891 1.788166 H O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=47) 0 -15.686412 -7.106869 2.493748 H C-CT--0.027500(PDBName=CA,ResName=TRP,ResNum=52) 0 -24.948746 -13.861075 -3.442071 L H-H1-0.112300(PDBName=HA,ResName=TRP,ResNum=52) 0 -25.524854 -14.023398 -2.530873 L C-C-0.597300(PDBName=C,ResName=TRP,ResNum=52) 0 -23.826154 -14.921145 -3.452159 L O-O--0.567900(PDBName=O,ResName=TRP,ResNum=52) 0 -24.160713 -16.091017 -3.248812 L N-N--0.415700(PDBName=N,ResName=CYM,ResNum=53) 0 -22.543903 -14.568678 -3.669107 L H-HC 16 0.0000 H-H-0.271900(PDBName=H,ResName=CYM,ResNum=53) 0 -22.297025 -13.589536 -3.743486 L C-CT--0.035100(PDBName=CA,ResName=CYM,ResNum=53) 0 -21.468485 -15.538089 -3.910628 H H-H1-0.050800(PDBName=HA,ResName=CYM,ResNum=53) 0 -21.831474 -16.303901 -4.593232 H C-CT--0.241300(PDBName=CB,ResName=CYM,ResNum=53) 0 -20.308151 -14.825970 -4.598772 H H-H1-0.112200(PDBName=HB3,ResName=CYM,ResNum=53) 0 -20.046361 -13.902199 -4.086784 H H-H1-0.112200(PDBName=HB2,ResName=CYM,ResNum=53) 0 -20.548994 -14.576207 -5.631245 H S-SH--0.884400(PDBName=SG,ResName=CYM,ResNum=53) 0 -18.760715 -15.792113 -4.630933 H C-C-0.597300(PDBName=C,ResName=CYM,ResNum=53) 0 -21.076654 -16.147455 -2.589549 H O-O--0.567900(PDBName=O,ResName=CYM,ResNum=53) 0 -20.696655 -15.442927 -1.656958 H N-N--0.415700(PDBName=N,ResName=GLY,ResNum=54) 0 -21.118035 -17.485439 -2.496537 H H-H-0.271900(PDBName=H,ResName=GLY,ResNum=54) 0 -21.564485 -17.998158 -3.251533 H C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=54) 0 -20.839973 -18.170248 -1.258343 H H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=54) 0 -21.580163 -17.953736 -0.492061 H H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=54) 0 -20.862285 -19.242018 -1.451674 H C-C-0.597300(PDBName=C,ResName=GLY,ResNum=54) 0 -19.481890 -17.826328 -0.677178 H O-O--0.567900(PDBName=O,ResName=GLY,ResNum=54) 0 -19.300332 -17.760725 0.529929 H N-N--0.415700(PDBName=N,ResName=HID,ResNum=55) 0 -18.517526 -17.626434 -1.579615 H H-H-0.271900(PDBName=H,ResName=HID,ResNum=55) 0 -18.756403 -17.677685 -2.557485 H C-CT-0.018800(PDBName=CA,ResName=HID,ResNum=55) 0 -17.153946 -17.332043 -1.232018 H H-H1-0.088100(PDBName=HA,ResName=HID,ResNum=55) 0 -16.833540 -18.003643 -0.436374 H C-CT--0.046200(PDBName=CB,ResName=HID,ResNum=55) 0 -16.285526 -17.541905 -2.482578 H H-HC-0.040200(PDBName=HB2,ResName=HID,ResNum=55) 0 -16.650196 -16.890970 -3.276234 H H-HC-0.040200(PDBName=HB3,ResName=HID,ResNum=55) 0 -15.270875 -17.221328 -2.277349 H C-CC--0.026600(PDBName=CG,ResName=HID,ResNum=55) 0 -16.304956 -18.953130 -2.950900 H N-NA--0.381100(PDBName=ND1,ResName=HID,ResNum=55) 0 -15.449834 -19.919523 -2.477323 H H-H-0.364900(PDBName=HD1,ResName=HID,ResNum=55) 0 -14.536330 -19.764450 -2.068309 H C-CR-0.205700(PDBName=CE1,ResName=HID,ResNum=55) 0 -15.788624 -21.082126 -3.061392 H H-H5-0.139200(PDBName=HE1,ResName=HID,ResNum=55) 0 -15.244911 -21.995287 -2.900664 H N-NB--0.572700(PDBName=NE2,ResName=HID,ResNum=55) 0 -16.834914 -20.947306 -3.835777 H C-CV-0.129200(PDBName=CD2,ResName=HID,ResNum=55) 0 -17.155064 -19.617917 -3.786289 H H-H4-0.114700(PDBName=HD2,ResName=HID,ResNum=55) 0 -17.955076 -19.214801 -4.384084 H C-C-0.597300(PDBName=C,ResName=HID,ResNum=55) 0 -16.992801 -15.925917 -0.655255 H O-O--0.567900(PDBName=O,ResName=HID,ResNum=55) 0 -16.148979 -15.688616 0.200078 H N-N--0.415700(PDBName=N,ResName=CYS,ResNum=56) 0 -17.817111 -14.989699 -1.144555 H H-H-0.271900(PDBName=H,ResName=CYS,ResNum=56) 0 -18.574311 -15.288147 -1.738670 H C-CT-0.021300(PDBName=CA,ResName=CYS,ResNum=56) 0 -17.863436 -13.661219 -0.580660 H H-H1-0.112400(PDBName=HA,ResName=CYS,ResNum=56) 0 -16.857044 -13.278347 -0.437062 H C-CT--0.123100(PDBName=CB,ResName=CYS,ResNum=56) 0 -18.624573 -12.682606 -1.462601 H H-H1-0.111200(PDBName=HB2,ResName=CYS,ResNum=56) 0 -19.644185 -13.000284 -1.664943 H H-H1-0.111200(PDBName=HB3,ResName=CYS,ResNum=56) 0 -18.616453 -11.731729 -0.932647 H S-SH--0.311900(PDBName=SG,ResName=CYS,ResNum=56) 0 -17.769524 -12.301006 -3.005523 H H-HS-0.193300(PDBName=HG,ResName=CYS,ResNum=56) 0 -17.965831 -13.445927 -3.672566 H C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=120) 0 -11.803842 -15.759545 1.419068 H H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=120) 0 -12.167265 -16.780203 1.519152 H H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=120) 0 -12.563900 -15.074861 1.787202 H N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=120) 0 -11.477873 -15.476372 0.042702 H H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=120) 0 -10.586506 -15.049116 -0.173110 H C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=120) 0 -12.068565 -16.086661 -0.974094 H N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=120) 0 -13.184704 -16.785588 -0.788395 H H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=120) 0 -13.832567 -16.567927 -0.052115 H H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=120) 0 -13.460554 -17.376733 -1.567664 H N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=120) 0 -11.554482 -16.000141 -2.189962 H H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=120) 0 -10.610798 -15.671981 -2.318506 H H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=120) 0 -12.026963 -16.440145 -2.967660 H C-CT-0.090430(PDBName=C1,ResName=GDS,ResNum=238) 0 -11.891424 -19.255696 -4.769281 H C-C-0.795436(PDBName=C15,ResName=GDS,ResNum=238) 0 -12.596314 -19.136071 -3.419402 H O-O2--0.768529(PDBName=O1,ResName=GDS,ResNum=238) 0 -12.607352 -20.130090 -2.664867 H O-O2--0.768529(PDBName=O2,ResName=GDS,ResNum=238) 0 -13.155967 -18.045456 -3.201160 H N-N3--0.516764(PDBName=N1,ResName=GDS,ResNum=238) 0 -10.983962 -20.434797 -4.728341 H H-H-0.336685(PDBName=H21,ResName=GDS,ResNum=238) 0 -11.500500 -21.310548 -4.659361 H H-H-0.336685(PDBName=H22,ResName=GDS,ResNum=238) 0 -10.363052 -20.384934 -3.909743 H H-H-0.336685(PDBName=H25,ResName=GDS,ResNum=238) 0 -10.395694 -20.504441 -5.568024 H H-HP-0.075961(PDBName=H5,ResName=GDS,ResNum=238) 0 -11.252079 -18.388452 -4.917120 H C-CT-0.021774(PDBName=C7,ResName=GDS,ResNum=238) 0 -12.894082 -19.375557 -5.921530 H H-HC-0.040870(PDBName=H9,ResName=GDS,ResNum=238) 0 -13.632157 -20.142637 -5.679678 H H-HC-0.040870(PDBName=H10,ResName=GDS,ResNum=238) 0 -12.373028 -19.706053 -6.820355 H C-CT--0.669382(PDBName=C11,ResName=GDS,ResNum=238) 0 -13.585144 -18.042233 -6.191431 H H-HC-0.225501(PDBName=H17,ResName=GDS,ResNum=238) 0 -13.946721 -17.605239 -5.265412 H H-HC-0.225501(PDBName=H18,ResName=GDS,ResNum=238) 0 -12.860255 -17.347204 -6.619140 H C-C-1.051032(PDBName=C13,ResName=GDS,ResNum=238) 0 -14.700763 -18.129810 -7.201527 H N-N--0.847389(PDBName=N2,ResName=GDS,ResNum=238) 0 -15.738770 -17.293050 -7.004604 H C-CT-0.125808(PDBName=C2,ResName=GDS,ResNum=238) 0 -16.716610 -17.137455 -8.047282 H C-CT--0.228215(PDBName=C8,ResName=GDS,ResNum=238) 0 -17.956121 -16.373019 -7.587454 H S-S--0.127891(PDBName=S1,ResName=GDS,ResNum=238) 0 -18.892519 -17.139481 -6.207065 H S-S--0.127891(PDBName=S2,ResName=GDS,ResNum=238) 0 -19.120284 -19.316063 -9.134757 H C-CT--0.228215(PDBName=C9,ResName=GDS,ResNum=238) 0 -20.501254 -19.039880 -10.256889 H C-CT-0.125808(PDBName=C5,ResName=GDS,ResNum=238) 0 -21.866549 -18.948870 -9.564237 H C-C-0.499365(PDBName=C19,ResName=GDS,ResNum=238) 0 -22.889275 -18.809257 -10.676497 H N-N--0.214693(PDBName=N4,ResName=GDS,ResNum=238) 0 -23.434679 -17.583245 -10.809885 H C-CT--0.457591(PDBName=C4,ResName=GDS,ResNum=238) 0 -24.452251 -17.197508 -11.738526 H H-H1-0.143996(PDBName=H3,ResName=GDS,ResNum=238) 0 -25.358805 -17.787266 -11.679874 H H-H1-0.143996(PDBName=H4,ResName=GDS,ResNum=238) 0 -24.128722 -17.144556 -12.772919 H H-H-0.267948(PDBName=H30,ResName=GDS,ResNum=238) 0 -23.280898 -16.865140 -10.130578 H O-O--0.591564(PDBName=O11,ResName=GDS,ResNum=238) 0 -23.142349 -19.711031 -11.461091 H N-N--0.847389(PDBName=N5,ResName=GDS,ResNum=238) 0 -22.211794 -20.072618 -8.743498 H C-C-1.051032(PDBName=C14,ResName=GDS,ResNum=238) 0 -22.853973 -19.934744 -7.581590 H C-CT--0.669382(PDBName=C12,ResName=GDS,ResNum=238) 0 -23.362998 -21.245603 -7.010992 H H-HC-0.225501(PDBName=H19,ResName=GDS,ResNum=238) 0 -22.526793 -21.873631 -6.720019 H H-HC-0.225501(PDBName=H20,ResName=GDS,ResNum=238) 0 -23.898460 -21.746067 -7.819663 H O-O--0.715130(PDBName=O12,ResName=GDS,ResNum=238) 0 -22.997262 -18.861101 -6.982296 H H-H-0.433401(PDBName=H28,ResName=GDS,ResNum=238) 0 -22.132848 -21.001420 -9.165735 H H-H1-0.041154(PDBName=H7,ResName=GDS,ResNum=238) 0 -21.872986 -18.073501 -8.925717 H H-H1-0.190294(PDBName=H13,ResName=GDS,ResNum=238) 0 -20.563861 -19.816101 -11.018376 H H-H1-0.190294(PDBName=H14,ResName=GDS,ResNum=238) 0 -20.404594 -18.091231 -10.809482 H H-H1-0.190294(PDBName=H11,ResName=GDS,ResNum=238) 0 -18.655873 -16.345790 -8.419002 H H-H1-0.190294(PDBName=H12,ResName=GDS,ResNum=238) 0 -17.722959 -15.355405 -7.293899 H C-C-0.499365(PDBName=C16,ResName=GDS,ResNum=238) 0 -16.061192 -16.381107 -9.220793 H O-O--0.591564(PDBName=O10,ResName=GDS,ResNum=238) 0 -15.181594 -15.562481 -8.993567 H N-N--0.214693(PDBName=N3,ResName=GDS,ResNum=238) 0 -16.465613 -16.658786 -10.465727 H C-CT--0.457591(PDBName=C3,ResName=GDS,ResNum=238) 0 -15.857011 -15.990065 -11.627834 L H-H 113 0.0000 C-C-1.004947(PDBName=C17,ResName=GDS,ResNum=238) 0 -16.811706 -15.028101 -12.316331 L O-O2--0.856478(PDBName=O3,ResName=GDS,ResNum=238) 0 -17.946912 -15.471920 -12.605778 L O-O2--0.856478(PDBName=O4,ResName=GDS,ResNum=238) 0 -16.438487 -13.857634 -12.569560 L H-H1-0.143996(PDBName=H1,ResName=GDS,ResNum=238) 0 -15.572463 -16.728162 -12.372836 L H-H1-0.143996(PDBName=H2,ResName=GDS,ResNum=238) 0 -14.980444 -15.410316 -11.355869 L H-H-0.267948(PDBName=H29,ResName=GDS,ResNum=238) 0 -17.026895 -17.478184 -10.713111 H H-H1-0.041154(PDBName=H6,ResName=GDS,ResNum=238) 0 -17.031701 -18.119584 -8.389904 H H-H-0.433401(PDBName=H27,ResName=GDS,ResNum=238) 0 -15.624433 -16.526192 -6.354114 H O-O--0.715130(PDBName=O9,ResName=GDS,ResNum=238) 0 -14.653668 -18.888406 -8.158705 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=252) 0 -17.203344 -19.065437 -11.710852 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=252) 0 -17.999825 -19.020860 -12.289959 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=252) 0 -17.621182 -19.422082 -10.896837 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=254) 0 -16.405791 -23.675846 -4.710232 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=254) 0 -16.760321 -22.777055 -4.676726 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=254) 0 -16.456566 -23.930342 -5.632288 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=256) 0 -20.024115 -14.055927 -7.846405 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=256) 0 -19.683442 -14.333962 -8.717331 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=256) 0 -20.976520 -14.122268 -8.001282 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=268) 0 -23.007706 -18.421667 -4.337458 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=268) 0 -22.946306 -18.632913 -5.311937 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=268) 0 -23.730318 -17.763887 -4.372277 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=373) 0 -16.947882 -10.958400 0.145712 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=373) 0 -16.545549 -10.156590 0.578601 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=373) 0 -17.230543 -11.448055 0.920100 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=800) 0 413.729215 -10.360688 -29.103583 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=800) 0 413.165944 -11.130577 -29.182673 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=800) 0 413.123105 -9.634691 -28.955864 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1001) 0 -19.467963 -15.090596 -10.415574 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1001) 0 -20.364506 -15.187721 -10.842435 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1001) 0 -18.923887 -15.320045 -11.213956 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1076) 0 -13.594549 -19.636479 -11.813316 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1076) 0 -13.267795 -18.834324 -12.259674 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1076) 0 -14.461828 -19.404583 -11.469481 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1088) 0 -19.321056 -22.650726 -9.299597 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1088) 0 -19.178485 -21.695816 -9.163603 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1088) 0 -20.109547 -22.669512 -9.858558 H C-C-0.597300(PDBName=C,ResName=CYS,ResNum=56) 0 -18.514187 -13.696301 0.798777 H O-O--0.567900(PDBName=O,ResName=CYS,ResNum=56) 0 -18.130270 -13.010708 1.729698 H N-N--0.347900(PDBName=N,ResName=LYS,ResNum=57) 0 -19.547976 -14.549020 0.918998 H H-H-0.274700(PDBName=H,ResName=LYS,ResNum=57) 0 -19.909424 -15.073443 0.134909 H C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=81) 0 -18.869376 -4.041523 3.176477 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=81) 0 -19.369771 -4.732924 2.496389 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=81) 0 -18.363995 -4.607218 3.960625 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=81) 0 -19.886578 -3.083086 3.805607 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=81) 0 -19.404138 -2.559030 4.636629 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=81) 0 -20.161169 -2.339698 3.051836 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=81) 0 -21.123370 -3.745900 4.277931 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=81) 0 -21.776939 -3.031073 4.598592 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=81) 0 -21.590073 -4.222746 3.519073 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=81) 0 -20.967100 -4.379005 5.056397 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=241) 0 -20.599188 -2.366099 -0.282047 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=241) 0 -20.098380 -1.708522 -0.810890 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=241) 0 -21.512119 -2.118530 -0.504165 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=247) 0 -12.164831 -19.391147 -9.349957 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=247) 0 -13.021494 -19.269065 -8.917073 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=247) 0 -12.424141 -19.644751 -10.247900 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=290) 0 -24.545030 -22.043242 -10.593424 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=290) 0 -25.083297 -21.424076 -10.054048 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=290) 0 -24.105773 -21.422079 -11.192136 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=300) 0 -20.525133 -23.696405 -4.659517 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=300) 0 -21.448170 -23.383817 -4.569798 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=300) 0 -20.006009 -23.297311 -3.949991 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=510) 0 -19.115851 -22.305562 -2.576477 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=510) 0 -18.468131 -22.546596 -1.890808 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=510) 0 -18.566757 -21.816300 -3.205494 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=702) 0 -21.709835 -17.745057 -13.404478 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=702) 0 -22.394648 -18.313620 -13.033152 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=702) 0 -21.772995 -16.954096 -12.839554 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=714) 0 -19.362694 -19.295592 -13.364315 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=714) 0 -20.152909 -18.735756 -13.258375 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=714) 0 -18.963386 -18.977570 -14.193118 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=928) 0 -22.091710 -22.750340 -9.601621 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=928) 0 -23.009955 -22.747621 -9.928537 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=928) 0 -22.036240 -23.246109 -8.774066 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1135) 0 -17.431729 -7.004794 4.656129 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1135) 0 -16.841740 -7.117773 3.878804 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1135) 0 -17.144175 -7.682273 5.272747 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1274) 0 -26.634957 -6.412524 21.026978 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1274) 0 -26.877564 -7.149446 20.457560 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1274) 0 -25.783348 -6.130516 20.619854 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1283) 0 -20.845330 -23.871079 -7.367129 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1283) 0 -20.509488 -23.711614 -6.470581 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1283) 0 -20.168882 -23.505922 -7.973324 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=249) 0 -12.208035 -15.298020 -5.139005 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=249) 0 -13.171069 -15.300005 -5.269858 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=249) 0 -12.056163 -14.358402 -4.898000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=265) 0 -24.299025 -18.767117 -1.818413 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=265) 0 -23.717385 -18.819309 -2.600070 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=265) 0 -23.907656 -19.458751 -1.244917 L N-N3-0.159200(PDBName=N,ResName=MET,ResNum=1) 0 -13.521438 23.379972 -13.302759 L H-H-0.198400(PDBName=H1,ResName=MET,ResNum=1) 0 -14.004891 22.511759 -13.488966 L H-H-0.198400(PDBName=H2,ResName=MET,ResNum=1) 0 -12.571189 23.164857 -13.022154 L H-H-0.198400(PDBName=H3,ResName=MET,ResNum=1) 0 -13.472274 23.908885 -14.165229 L C-CT-0.022100(PDBName=CA,ResName=MET,ResNum=1) 0 -14.230140 24.142529 -12.259531 L H-HP-0.111600(PDBName=HA,ResName=MET,ResNum=1) 0 -13.744294 25.111719 -12.148264 L C-CT-0.086500(PDBName=CB,ResName=MET,ResNum=1) 0 -15.693059 24.375029 -12.671193 L H-HC-0.012500(PDBName=HB2,ResName=MET,ResNum=1) 0 -15.713166 24.798500 -13.675908 L H-HC-0.012500(PDBName=HB3,ResName=MET,ResNum=1) 0 -16.219495 23.422056 -12.694584 L C-CT-0.033400(PDBName=CG,ResName=MET,ResNum=1) 0 -16.443928 25.330595 -11.739841 L H-H1-0.029200(PDBName=HG2,ResName=MET,ResNum=1) 0 -16.366774 24.973311 -10.712594 L H-H1-0.029200(PDBName=HG3,ResName=MET,ResNum=1) 0 -15.976746 26.313738 -11.805743 L S-S--0.277400(PDBName=SD,ResName=MET,ResNum=1) 0 -18.202097 25.496609 -12.147058 L C-CT--0.034100(PDBName=CE,ResName=MET,ResNum=1) 0 -18.639577 26.930865 -11.131167 L H-H1-0.059700(PDBName=HE1,ResName=MET,ResNum=1) 0 -17.998457 27.776171 -11.384395 L H-H1-0.059700(PDBName=HE2,ResName=MET,ResNum=1) 0 -19.681323 27.200804 -11.306066 L H-H1-0.059700(PDBName=HE3,ResName=MET,ResNum=1) 0 -18.512140 26.682434 -10.079349 L C-C-0.612300(PDBName=C,ResName=MET,ResNum=1) 0 -14.094084 23.392829 -10.941402 L O-O--0.571300(PDBName=O,ResName=MET,ResNum=1) 0 -14.922927 22.543190 -10.607654 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=2) 0 -13.004503 23.651533 -10.220641 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=2) 0 -12.403753 24.417179 -10.516853 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=2) 0 -12.629434 22.929190 -9.008833 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=2) 0 -12.998594 21.908648 -9.097835 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=2) 0 -11.090869 22.866170 -8.927328 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=2) 0 -10.720911 22.333818 -9.804135 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=2) 0 -10.688564 23.880450 -8.955737 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=2) 0 -10.553256 22.167063 -7.664366 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=2) 0 -10.770174 22.774399 -6.787550 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=2) 0 -11.164940 20.786537 -7.458975 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=2) 0 -10.953892 20.148185 -8.316796 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=2) 0 -10.736889 20.340098 -6.565267 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=2) 0 -12.236854 20.856099 -7.300943 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=2) 0 -9.041822 22.012415 -7.764433 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=2) 0 -8.592868 22.995249 -7.880530 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=2) 0 -8.657306 21.554962 -6.852311 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=2) 0 -8.779814 21.384776 -8.616235 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=2) 0 -13.288469 23.548090 -7.770254 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=2) 0 -12.698604 24.404109 -7.106317 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=3) 0 -14.519972 23.128832 -7.457917 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=3) 0 -14.979905 22.470060 -8.075701 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=3) 0 -15.243671 23.565644 -6.252818 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=3) 0 -14.529464 23.562353 -5.430316 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=3) 0 -15.736665 25.011319 -6.466221 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=3) 0 -15.251059 25.439503 -7.341069 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=3) 0 -16.807034 25.034119 -6.652362 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=3) 0 -15.385582 25.894760 -5.264709 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=3) 0 -16.006323 25.609189 -4.418776 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=3) 0 -14.335609 25.756664 -5.001801 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=3) 0 -15.605248 27.372308 -5.595045 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=3) 0 -14.962247 27.632502 -6.435612 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=3) 0 -16.640906 27.536358 -5.892509 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=3) 0 -15.271469 28.236825 -4.454680 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=3) 0 -14.391534 28.734268 -4.478917 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=3) 0 -15.981669 28.397078 -3.357446 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=3) 0 -17.138802 27.838510 -3.168451 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=3) 0 -17.553825 27.262949 -3.891822 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=3) 0 -17.596184 27.971845 -2.285793 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=3) 0 -15.514952 29.125873 -2.396044 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=3) 0 -14.617611 29.575885 -2.518097 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=3) 0 -15.980040 29.138266 -1.497808 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=3) 0 -16.362304 22.596308 -5.846720 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=3) 0 -16.719544 21.712379 -6.621491 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=4) 0 -16.829473 22.726889 -4.600012 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=4) 0 -16.421184 23.485567 -4.063232 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=4) 0 -17.768556 21.878360 -3.835469 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=4) 0 -17.355899 21.867036 -2.827091 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=4) 0 -19.156786 22.521266 -3.695661 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=4) 0 -19.049117 23.588407 -3.494256 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=4) 0 -19.724202 22.395625 -4.613121 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=4) 0 -19.918231 21.874350 -2.531604 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=4) 0 -19.907319 20.788269 -2.630336 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=4) 0 -19.429255 22.144305 -1.595846 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=4) 0 -21.374453 22.331122 -2.507642 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=4) 0 -21.418253 23.419546 -2.434111 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=4) 0 -21.839232 22.014503 -3.441678 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=4) 0 -22.085208 21.724926 -1.372807 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=4) 0 -21.518410 21.384089 -0.601986 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=4) 0 -23.387934 21.610990 -1.225222 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=4) 0 -24.236690 22.066904 -2.095732 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=4) 0 -23.908885 22.499414 -2.954736 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=4) 0 -25.224686 21.961672 -1.912823 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=4) 0 -23.889849 21.020530 -0.185278 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=4) 0 -23.300229 20.572609 0.508342 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=4) 0 -24.896406 20.929452 -0.151512 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=4) 0 -17.806012 20.396470 -4.215517 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=4) 0 -17.096636 19.621185 -3.585638 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=5) 0 -18.606592 19.991424 -5.203426 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=5) 0 -19.128092 20.690009 -5.722265 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=5) 0 -18.734709 18.590474 -5.624662 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=5) 0 -18.856420 17.983554 -4.725203 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=5) 0 -20.015034 18.443895 -6.457104 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=5) 0 -19.913682 18.990534 -7.394401 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=5) 0 -20.192612 17.390464 -6.677951 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=5) 0 -20.868747 18.833106 -5.901047 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=5) 0 -17.488088 18.028991 -6.349428 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=5) 0 -17.523128 16.900606 -6.845411 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=6) 0 -16.403734 18.806605 -6.425549 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=6) 0 -16.509645 19.770056 -6.138926 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=6) 0 -15.086334 18.389653 -6.904912 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=6) 0 -15.100340 17.307718 -7.041008 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=6) 0 -14.842034 19.081410 -8.262050 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=6) 0 -15.795568 19.282476 -8.754719 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=6) 0 -14.365558 20.044217 -8.079334 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=6) 0 -13.977280 18.247853 -9.221846 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=6) 0 -13.111762 17.836799 -8.704917 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=6) 0 -14.794721 17.106490 -9.820015 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=6) 0 -15.665119 17.502036 -10.336945 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=6) 0 -14.182166 16.548066 -10.522961 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=6) 0 -15.127513 16.429649 -9.035562 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=6) 0 -13.482008 19.125545 -10.367392 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=6) 0 -12.794447 19.871408 -9.977062 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=6) 0 -12.951098 18.509051 -11.091488 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=6) 0 -14.319248 19.621996 -10.854429 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=6) 0 -13.945121 18.681432 -5.905543 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=6) 0 -12.782465 18.421392 -6.223124 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=7) 0 -14.224010 19.239109 -4.719496 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=7) 0 -15.190423 19.246933 -4.408761 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=7) 0 -13.211051 19.838999 -3.837816 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=7) 0 -12.222255 19.483927 -4.132676 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=7) 0 -13.254961 21.366031 -4.047773 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=7) 0 -13.054347 21.578560 -5.098002 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=7) 0 -14.263343 21.710079 -3.817091 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=7) 0 -12.269989 22.175088 -3.183217 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=7) 0 -12.483833 22.014543 -2.126807 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=7) 0 -10.818326 21.796285 -3.460539 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=7) 0 -10.594729 21.882740 -4.522755 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=7) 0 -10.162280 22.460924 -2.905706 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=7) 0 -10.620100 20.777123 -3.131541 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=7) 0 -12.435126 23.665176 -3.478310 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=7) 0 -13.458432 23.972423 -3.269206 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=7) 0 -11.765336 24.241775 -2.840061 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=7) 0 -12.195898 23.866576 -4.520491 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=7) 0 -13.401938 19.484069 -2.354702 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=7) 0 -14.389497 19.886411 -1.735902 L N-N--0.415700(PDBName=N,ResName=CYS,ResNum=8) 0 -12.393026 18.854340 -1.749352 L H-H-0.271900(PDBName=H,ResName=CYS,ResNum=8) 0 -11.608444 18.541329 -2.312356 L C-CT-0.021300(PDBName=CA,ResName=CYS,ResNum=8) 0 -12.297372 18.703663 -0.298201 L H-H1-0.112400(PDBName=HA,ResName=CYS,ResNum=8) 0 -13.245959 18.313342 0.075846 L C-CT--0.123100(PDBName=CB,ResName=CYS,ResNum=8) 0 -11.195033 17.695613 0.036328 L H-H1-0.111200(PDBName=HB2,ResName=CYS,ResNum=8) 0 -11.299762 16.819694 -0.598226 L H-H1-0.111200(PDBName=HB3,ResName=CYS,ResNum=8) 0 -10.212034 18.135293 -0.139933 L S-SH--0.311900(PDBName=SG,ResName=CYS,ResNum=8) 0 -11.351558 17.210820 1.778376 L H-HS-0.193300(PDBName=HG,ResName=CYS,ResNum=8) 0 -12.433685 16.430907 1.613607 L C-C-0.597300(PDBName=C,ResName=CYS,ResNum=8) 0 -12.021993 20.064428 0.358960 L O-O--0.567900(PDBName=O,ResName=CYS,ResNum=8) 0 -10.894248 20.562603 0.347025 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=9) 0 -13.055511 20.687675 0.919035 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=9) 0 -13.958619 20.229556 0.908207 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=9) 0 -12.977422 22.012688 1.529503 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=9) 0 -12.152952 22.554184 1.065767 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=9) 0 -14.295602 22.742235 1.223045 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=9) 0 -14.651296 22.460914 0.229987 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=9) 0 -15.043684 22.418520 1.946573 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=9) 0 -14.166438 24.267044 1.274318 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=9) 0 -13.625516 24.551113 2.173435 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=9) 0 -13.441242 24.812767 0.040296 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=9) 0 -13.991475 24.579510 -0.864752 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=9) 0 -13.336222 25.892404 0.118003 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=9) 0 -12.446949 24.379664 -0.046155 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=9) 0 -15.557846 24.883639 1.342253 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=9) 0 -16.024004 24.605873 2.286440 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=9) 0 -15.480147 25.965991 1.294456 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=9) 0 -16.172294 24.523549 0.520555 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=9) 0 -12.683541 21.912267 3.035541 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=9) 0 -13.111413 20.950853 3.676322 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=10) 0 -11.982253 22.895498 3.607431 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=10) 0 -11.669521 23.666772 3.029330 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=10) 0 -11.620174 22.935497 5.028816 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=10) 0 -11.316952 21.937260 5.345493 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=10) 0 -10.410605 23.868781 5.186912 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=10) 0 -10.674316 24.885006 4.891529 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=10) 0 -10.086641 23.870577 6.228330 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=10) 0 -9.587041 23.520555 4.563221 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=10) 0 -12.822501 23.363611 5.894067 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=10) 0 -13.034111 24.557561 6.129538 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=11) 0 -13.682241 22.412939 6.277480 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=11) 0 -13.454014 21.446782 6.054573 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=11) 0 -15.039518 22.705092 6.782342 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=11) 0 -14.978666 23.577895 7.432150 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=11) 0 -15.906941 23.081109 5.553068 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=11) 0 -15.268914 23.614471 4.846821 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=11) 0 -16.454609 21.874394 4.787602 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=11) 0 -17.358190 21.480691 5.249378 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=11) 0 -16.681366 22.172995 3.769495 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=11) 0 -15.700542 21.088881 4.748481 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=11) 0 -17.012961 24.082347 5.895681 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=11) 0 -16.583893 24.942978 6.409565 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=11) 0 -17.472717 24.433316 4.974703 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=11) 0 -17.781275 23.636949 6.519652 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=11) 0 -15.607202 21.551310 7.640893 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=11) 0 -14.843125 20.719317 8.136309 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=12) 0 -16.927138 21.515022 7.860860 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=12) 0 -17.485030 22.264035 7.484042 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=12) 0 -17.659268 20.393828 8.455511 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=12) 0 -17.025133 19.505191 8.455189 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=12) 0 -17.978708 20.741949 9.915989 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=12) 0 -18.588531 21.645020 9.966665 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=12) 0 -18.523300 19.916122 10.375665 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=12) 0 -17.051159 20.899145 10.468049 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=12) 0 -18.919871 20.052695 7.627041 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=12) 0 -20.012955 20.574186 7.871660 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=13) 0 -18.767049 19.201577 6.614495 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=13) 0 -17.826102 18.857619 6.435389 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=13) 0 -19.835722 18.633923 5.787130 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=13) 0 -20.803218 18.953332 6.171594 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=13) 0 -19.689926 19.176456 4.359497 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=13) 0 -18.722287 18.884265 3.946753 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=13) 0 -20.479827 18.773386 3.724826 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=13) 0 -19.760610 20.264553 4.367335 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=13) 0 -19.806845 17.092978 5.836698 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=13) 0 -18.756215 16.511637 6.118847 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=14) 0 -20.943869 16.438839 5.565058 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=14) 0 -21.755845 17.006243 5.363246 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=14) 0 -21.152729 14.978862 5.602925 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=14) 0 -22.229571 14.822514 5.526841 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=14) 0 -20.564356 14.352788 4.320863 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=14) 0 -21.139294 14.737613 3.476941 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=14) 0 -19.548319 14.714281 4.196126 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=14) 0 -20.526795 12.816664 4.217076 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=14) 0 -19.860387 12.414707 4.975493 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=14) 0 -21.896258 12.169012 4.396696 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=14) 0 -22.570645 12.506603 3.614931 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=14) 0 -21.795334 11.085243 4.329678 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=14) 0 -22.308034 12.410752 5.375381 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=14) 0 -19.974454 12.442371 2.840573 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=14) 0 -18.948762 12.798193 2.744769 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=14) 0 -19.982361 11.362390 2.716007 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=14) 0 -20.580051 12.889718 2.056265 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=14) 0 -20.770020 14.334484 6.957135 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=14) 0 -21.637115 14.221024 7.825970 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=15) 0 -19.506975 13.964965 7.173618 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=15) 0 -18.848033 14.124996 6.418957 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=15) 0 -18.948785 13.488271 8.458681 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=15) 0 -19.476523 13.983432 9.274462 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=15) 0 -19.159866 11.963578 8.605255 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=15) 0 -20.212641 11.756744 8.415769 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=15) 0 -18.336115 11.128293 7.618886 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=15) 0 -17.272818 11.280310 7.794029 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=15) 0 -18.560088 10.069846 7.754246 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=15) 0 -18.578119 11.404137 6.595535 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=15) 0 -18.860436 11.477801 10.024116 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=15) 0 -19.472121 12.029432 10.733384 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=15) 0 -19.104305 10.418697 10.106109 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=15) 0 -17.808566 11.608972 10.270867 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=15) 0 -17.466302 13.872606 8.564760 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=15) 0 -16.805913 14.008567 7.531863 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=16) 0 -16.907248 14.058106 9.767599 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=16) 0 -17.486602 13.957879 10.596293 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=16) 0 -15.461854 14.306483 9.942264 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=16) 0 -15.198146 15.197717 9.374276 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=16) 0 -15.141290 14.559574 11.425693 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=16) 0 -15.847277 15.279711 11.833608 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=16) 0 -15.274190 13.624555 11.969825 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=16) 0 -13.718483 15.102246 11.663925 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=16) 0 -13.007149 14.661101 10.973199 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=16) 0 -13.712536 16.183128 11.518474 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=16) 0 -13.250582 14.762123 13.077953 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=16) 0 -13.907795 15.254337 13.791530 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=16) 0 -13.332131 13.684965 13.230653 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=16) 0 -11.864596 15.187251 13.330735 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=16) 0 -11.738036 15.970999 13.960233 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=16) 0 -10.768811 14.512349 13.041096 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=16) 0 -10.755330 13.410026 12.355034 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=16) 0 -11.617744 12.966627 12.056755 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=16) 0 -9.893865 12.888406 12.311465 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=16) 0 -9.608987 14.918902 13.455093 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=16) 0 -9.538892 15.671035 14.126277 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=16) 0 -8.832788 14.283590 13.325949 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=16) 0 -14.626153 13.128645 9.420266 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=16) 0 -14.989550 11.972677 9.636844 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=17) 0 -13.465142 13.426048 8.834641 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=17) 0 -13.256633 14.403002 8.669128 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=17) 0 -12.411306 12.456835 8.534121 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=17) 0 -12.780822 11.800053 7.751279 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=17) 0 -11.198418 13.222577 7.995019 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=17) 0 -10.795495 13.880612 8.766407 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=17) 0 -10.420982 12.525969 7.678102 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=17) 0 -11.499115 13.819890 7.135481 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=17) 0 -12.038434 11.554189 9.729628 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=17) 0 -12.444179 11.799483 10.866006 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=18) 0 -11.297818 10.479612 9.451399 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=18) 0 -10.967369 10.402803 8.499036 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=18) 0 -11.255298 9.219786 10.216042 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=18) 0 -10.522877 8.597162 9.702734 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=18) 0 -10.704903 9.401110 11.640488 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=18) 0 -9.745886 9.916943 11.589423 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=18) 0 -11.386733 10.007720 12.234483 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=18) 0 -10.517078 8.051329 12.336224 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=18) 0 -9.559961 7.326156 11.982452 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=18) 0 -11.331777 7.716966 13.234838 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=18) 0 -12.566581 8.410263 10.169874 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=18) 0 -12.506625 7.182518 10.201932 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=19) 0 -13.731557 9.037260 9.976223 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=19) 0 -13.746088 10.048364 9.984978 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=19) 0 -14.897464 8.362323 9.409881 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=19) 0 -14.813708 7.290410 9.572556 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=19) 0 -16.177237 8.785474 10.135098 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=19) 0 -16.361567 9.845128 9.980928 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=19) 0 -17.022901 8.224877 9.734623 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=19) 0 -16.088264 8.580559 11.200503 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=19) 0 -14.963095 8.645757 7.896146 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=19) 0 -15.234724 9.780380 7.496821 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=20) 0 -14.725219 7.647720 7.032368 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=20) 0 -14.148307 6.351460 7.347998 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=20) 0 -14.799812 5.780358 8.010187 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=20) 0 -13.168743 6.484244 7.804081 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=20) 0 -14.004964 5.623621 6.016614 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=20) 0 -14.789834 4.873446 5.922312 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=20) 0 -13.018403 5.178953 5.944542 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=20) 0 -14.197883 6.702680 4.956176 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=20) 0 -14.575138 6.294195 4.018365 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=20) 0 -13.248237 7.207053 4.784231 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=20) 0 -15.170452 7.665670 5.644313 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=20) 0 -15.093252 8.657718 5.198895 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=20) 0 -16.637186 7.197712 5.621162 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=20) 0 -17.331690 7.236093 6.643810 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=21) 0 -17.123378 6.673707 4.496127 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=21) 0 -16.538014 6.625775 3.677481 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=21) 0 -18.297651 5.805885 4.573317 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=21) 0 -18.935006 6.244496 5.327470 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=21) 0 -19.095813 5.807189 3.263926 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=21) 0 -19.172907 6.831413 2.899982 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=21) 0 -18.573826 5.217814 2.509767 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=21) 0 -20.517714 5.262064 3.463141 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=21) 0 -21.083896 5.456749 2.551587 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=21) 0 -20.463412 4.182847 3.616697 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=21) 0 -21.224153 5.914762 4.661015 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=21) 0 -21.724817 7.057697 4.539068 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=21) 0 -21.105789 5.382274 5.792052 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=21) 0 -17.899649 4.408723 5.076459 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=21) 0 -16.913624 3.853286 4.601414 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=22) 0 -18.616027 3.850647 6.058348 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=22) 0 -19.482517 4.299106 6.339433 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=22) 0 -18.271236 2.576192 6.714094 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=22) 0 -17.910421 1.900362 5.944580 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=22) 0 -17.115995 2.742591 7.725021 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=22) 0 -16.966507 1.784781 8.225866 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=22) 0 -16.196767 2.971612 7.187265 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=22) 0 -17.321222 3.832125 8.784088 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=22) 0 -17.099102 4.809379 8.350675 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=22) 0 -18.360546 3.837844 9.105205 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=22) 0 -16.426855 3.581767 10.000853 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=22) 0 -15.207205 3.861161 9.949522 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=22) 0 -16.942344 3.098904 11.043463 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=22) 0 -19.473790 1.872380 7.377780 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=22) 0 -20.387629 2.519331 7.897681 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=23) 0 -19.451735 0.537725 7.372076 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=23) 0 -18.639222 0.086157 6.953467 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=23) 0 -20.426127 -0.387932 7.973263 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=23) 0 -21.005086 0.115463 8.748491 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=23) 0 -21.373522 -0.955046 6.898348 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=23) 0 -20.762291 -1.410461 6.119003 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=23) 0 -21.978190 -1.742472 7.350249 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=23) 0 -22.324907 0.071013 6.257850 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=23) 0 -23.046865 0.391192 7.009688 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=23) 0 -21.754803 0.945896 5.945407 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=23) 0 -23.072148 -0.473610 5.026048 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=23) 0 -22.932864 -1.677668 4.682556 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=23) 0 -23.796547 0.315601 4.372194 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=23) 0 -19.644651 -1.556930 8.597444 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=23) 0 -18.710854 -2.054178 7.974409 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=24) 0 -19.976967 -2.000777 9.815694 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=24) 0 -20.779273 -1.596753 10.273691 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=24) 0 -19.129444 -2.921967 10.609118 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=24) 0 -19.546467 -2.950698 11.616656 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=24) 0 -19.186460 -4.363571 10.066274 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=24) 0 -18.762188 -4.403994 9.062266 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=24) 0 -18.572074 -4.991656 10.709125 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=24) 0 -20.584491 -4.966484 10.057349 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=24) 0 -21.058443 -5.395758 8.976225 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=24) 0 -21.183651 -5.103481 11.144857 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=24) 0 -17.667432 -2.434005 10.774195 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=24) 0 -16.741327 -3.231716 10.932155 L N-N--0.415700(PDBName=N,ResName=HID,ResNum=25) 0 -17.438011 -1.119457 10.694404 L H-H-0.271900(PDBName=H,ResName=HID,ResNum=25) 0 -18.247939 -0.511490 10.617010 L C-CT-0.018800(PDBName=CA,ResName=HID,ResNum=25) 0 -16.129593 -0.465178 10.546853 L H-H1-0.088100(PDBName=HA,ResName=HID,ResNum=25) 0 -16.347590 0.591198 10.402732 L C-CT--0.046200(PDBName=CB,ResName=HID,ResNum=25) 0 -15.321366 -0.556984 11.848662 L H-HC-0.040200(PDBName=HB2,ResName=HID,ResNum=25) 0 -15.017220 -1.590340 12.019203 L H-HC-0.040200(PDBName=HB3,ResName=HID,ResNum=25) 0 -14.417715 0.044479 11.751781 L C-CC--0.026600(PDBName=CG,ResName=HID,ResNum=25) 0 -16.091872 -0.059971 13.042515 L N-NA--0.381100(PDBName=ND1,ResName=HID,ResNum=25) 0 -16.718246 1.159952 13.153648 L H-H-0.364900(PDBName=HD1,ResName=HID,ResNum=25) 0 -16.778301 1.870439 12.426188 L C-CR-0.205700(PDBName=CE1,ResName=HID,ResNum=25) 0 -17.321331 1.213850 14.351346 L H-H5-0.139200(PDBName=HE1,ResName=HID,ResNum=25) 0 -17.909216 2.049035 14.714393 L N-NB--0.572700(PDBName=NE2,ResName=HID,ResNum=25) 0 -17.093106 0.080025 15.036552 L C-CV-0.129200(PDBName=CD2,ResName=HID,ResNum=25) 0 -16.332766 -0.746750 14.199361 L H-H4-0.114700(PDBName=HD2,ResName=HID,ResNum=25) 0 -15.997863 -1.751817 14.421596 L C-C-0.597300(PDBName=C,ResName=HID,ResNum=25) 0 -15.326918 -0.851419 9.290942 L O-O--0.567900(PDBName=O,ResName=HID,ResNum=25) 0 -14.198127 -0.379454 9.125053 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=26) 0 -15.912090 -1.631126 8.379215 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=26) 0 -16.860174 -1.946731 8.561418 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=26) 0 -15.404212 -1.866477 7.026524 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=26) 0 -14.320073 -1.936944 7.073318 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=26) 0 -15.951678 -3.183851 6.436298 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=26) 0 -17.018401 -3.082436 6.238721 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=26) 0 -15.247972 -3.500030 5.116974 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=26) 0 -14.174290 -3.588975 5.275941 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=26) 0 -15.630537 -4.441206 4.720869 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=26) 0 -15.446440 -2.711956 4.396105 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=26) 0 -15.747229 -4.394351 7.355819 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=26) 0 -16.169229 -5.284306 6.887029 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=26) 0 -14.685908 -4.556161 7.533389 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=26) 0 -16.258934 -4.237579 8.304554 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=26) 0 -15.807251 -0.674065 6.155492 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=26) 0 -16.987168 -0.328896 6.078424 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=27) 0 -14.848901 -0.013332 5.504422 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=27) 0 -13.894881 -0.345158 5.594152 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=27) 0 -15.116195 1.193208 4.717797 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=27) 0 -15.704888 1.860376 5.340872 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=27) 0 -13.833065 1.952371 4.322203 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=27) 0 -13.485950 1.560210 3.370336 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=27) 0 -14.128270 2.987669 4.150186 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=27) 0 -12.617363 1.945770 5.265562 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=27) 0 -12.162424 0.963169 5.247601 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=27) 0 -11.567363 2.904154 4.707484 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=27) 0 -11.965630 3.909160 4.617040 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=27) 0 -10.692813 2.914539 5.357326 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=27) 0 -11.271615 2.564204 3.716194 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=27) 0 -12.936084 2.286717 6.719886 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=27) 0 -13.369368 1.415867 7.208425 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=27) 0 -12.024530 2.562948 7.246303 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=27) 0 -13.649150 3.100522 6.780603 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=27) 0 -15.945543 0.835170 3.474555 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=27) 0 -15.499680 0.048386 2.644535 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=28) 0 -17.139099 1.398291 3.310102 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=28) 0 -17.398535 2.142653 3.946797 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=28) 0 -18.047241 1.057030 2.202912 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=28) 0 -17.802436 0.052094 1.856302 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=28) 0 -19.519949 1.016914 2.634005 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=28) 0 -19.907737 2.023342 2.780557 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=28) 0 -20.348699 0.288902 1.576077 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=28) 0 -21.404460 0.315529 1.846149 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=28) 0 -20.230283 0.759498 0.600658 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=28) 0 -20.019290 -0.744666 1.517399 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=28) 0 -19.674781 0.248428 3.941316 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=28) 0 -19.503494 0.932480 4.762381 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=28) 0 -20.680820 -0.146591 4.021138 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=28) 0 -18.953117 -0.564278 3.997217 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=28) 0 -17.790106 2.004606 1.044381 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=28) 0 -18.486957 3.006255 0.861999 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=29) 0 -16.713098 1.722490 0.314513 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=29) 0 -16.216194 0.863966 0.519869 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=29) 0 -16.144741 2.652387 -0.654497 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=29) 0 -16.282835 3.657339 -0.255046 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=29) 0 -14.629386 2.436434 -0.803193 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=29) 0 -14.450167 1.441279 -1.212210 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=29) 0 -14.244834 3.172674 -1.510991 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=29) 0 -13.860432 2.579500 0.524750 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=29) 0 -14.155407 1.769713 1.184117 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=29) 0 -12.357518 2.461319 0.282490 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=29) 0 -12.014438 3.283198 -0.343496 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=29) 0 -11.825367 2.489786 1.232368 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=29) 0 -12.136541 1.514947 -0.209768 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=29) 0 -14.135071 3.902184 1.244071 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=29) 0 -15.157246 3.921062 1.620386 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=29) 0 -13.468866 4.004248 2.097790 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=29) 0 -13.982924 4.736422 0.558543 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=29) 0 -16.905370 2.644680 -1.979810 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=29) 0 -17.494043 1.643214 -2.392227 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=30) 0 -16.916155 3.816391 -2.607010 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=30) 0 -16.323248 4.541766 -2.212167 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=30) 0 -17.762907 4.220274 -3.728362 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=30) 0 -18.391333 3.386795 -4.035648 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=30) 0 -18.635825 5.413702 -3.276666 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=30) 0 -18.097490 5.994699 -2.527116 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=30) 0 -18.783424 6.070902 -4.129355 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=30) 0 -20.038702 5.104301 -2.737814 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=30) 0 -20.459849 6.024505 -2.330523 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=30) 0 -20.675975 4.806304 -3.562186 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=30) 0 -20.105710 4.021590 -1.665831 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=30) 0 -19.582214 3.128986 -2.005222 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=30) 0 -19.627778 4.406828 -0.766142 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=30) 0 -21.505504 3.658087 -1.409205 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=30) 0 -22.145484 3.683082 -2.195267 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=30) 0 -22.057578 3.323282 -0.264964 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=30) 0 -21.391785 3.269334 0.844639 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=30) 0 -20.388798 3.389232 0.843204 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=30) 0 -21.934968 3.252287 1.705361 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=30) 0 -23.320412 3.037236 -0.222711 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=30) 0 -23.863406 3.100392 -1.071653 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=30) 0 -23.701898 2.638880 0.630833 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=30) 0 -16.910494 4.620089 -4.928468 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=30) 0 -15.776686 5.070722 -4.758736 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=31) 0 -17.490418 4.591597 -6.132916 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=31) 0 -18.438767 4.218135 -6.181587 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=31) 0 -16.876743 5.192333 -7.339963 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=31) 0 -15.891890 4.738308 -7.467522 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=31) 0 -17.682849 4.848822 -8.610704 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=31) 0 -17.215277 5.333552 -9.468192 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=31) 0 -17.629406 3.770036 -8.765257 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=31) 0 -19.161374 5.258279 -8.545007 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=31) 0 -19.616850 4.728076 -7.718804 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=31) 0 -19.242251 6.329125 -8.364274 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=31) 0 -19.974525 4.885654 -9.786967 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=31) 0 -19.697418 3.884894 -10.117278 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=31) 0 -21.028522 4.862404 -9.507021 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=31) 0 -19.792248 5.893494 -10.924269 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=31) 0 -20.079929 6.886622 -10.566282 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=31) 0 -18.739564 5.916847 -11.220018 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=31) 0 -20.634620 5.518827 -12.079198 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=31) 0 -21.618278 5.449266 -11.826061 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=31) 0 -20.554272 6.177043 -12.851344 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=31) 0 -20.358216 4.606430 -12.438427 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=31) 0 -16.576455 6.697657 -7.194864 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=31) 0 -15.794209 7.233303 -7.974530 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=32) 0 -17.091685 7.369040 -6.159633 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=32) 0 -17.774341 6.905471 -5.580524 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=32) 0 -16.605692 8.675195 -5.696016 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=32) 0 -16.450717 9.317448 -6.563885 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=32) 0 -17.649492 9.360006 -4.803086 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=32) 0 -17.204704 10.245802 -4.348403 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=32) 0 -18.502055 9.670766 -5.400905 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=32) 0 -18.098939 8.501215 -3.777885 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=32) 0 -18.439204 9.073261 -3.051248 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=32) 0 -15.274349 8.611209 -4.930500 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=32) 0 -14.317429 9.267947 -5.342034 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=33) 0 -15.224669 7.878811 -3.811349 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=33) 0 -16.011005 7.262298 -3.655178 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=33) 0 -14.470167 8.261909 -2.605697 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=33) 0 -14.076827 9.264551 -2.770306 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=33) 0 -15.458905 8.349314 -1.421027 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=33) 0 -14.980454 8.891537 -0.610433 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=33) 0 -16.333244 8.921030 -1.719768 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=33) 0 -15.918692 7.005091 -0.867227 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=33) 0 -15.581120 5.938013 -1.349897 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=33) 0 -16.723865 6.992819 0.166251 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=33) 0 -17.019206 6.098668 0.510261 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=33) 0 -17.048820 7.860350 0.582963 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=33) 0 -13.242327 7.395097 -2.261176 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=33) 0 -12.740771 7.466681 -1.133389 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=34) 0 -12.790434 6.545109 -3.184584 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=34) 0 -13.281811 6.502838 -4.065886 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=34) 0 -11.791809 5.516991 -2.891293 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=34) 0 -12.121634 4.972577 -2.005900 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=34) 0 -11.735504 4.526238 -4.049757 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=34) 0 -12.725755 4.087702 -4.169840 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=34) 0 -11.483922 5.049267 -4.973509 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=34) 0 -10.730336 3.422570 -3.805251 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=34) 0 -11.069444 2.357096 -2.955192 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=34) 0 -12.051655 2.314165 -2.513297 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=34) 0 -10.133008 1.350400 -2.678256 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=34) 0 -10.395271 0.546125 -2.010143 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=34) 0 -8.862308 1.392784 -3.276047 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=34) 0 -8.140486 0.615940 -3.078889 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=34) 0 -8.528308 2.444306 -4.143796 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=34) 0 -7.562296 2.453211 -4.626870 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=34) 0 -9.454968 3.469827 -4.397105 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=34) 0 -9.191312 4.280080 -5.062764 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=34) 0 -10.398314 6.070804 -2.568343 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=34) 0 -9.867239 5.796556 -1.491450 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=35) 0 -9.809449 6.883499 -3.450595 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=35) 0 -10.251906 7.058336 -4.342888 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=35) 0 -8.498790 7.477775 -3.181846 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=35) 0 -7.798514 6.674290 -2.948586 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=35) 0 -8.002188 8.176799 -4.443123 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=35) 0 -8.645854 9.024596 -4.669687 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=35) 0 -6.984375 8.530307 -4.277471 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=35) 0 -8.000760 7.480820 -5.281279 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=35) 0 -8.528121 8.426482 -1.966901 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=35) 0 -7.554803 8.503103 -1.227005 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=36) 0 -9.667682 9.060542 -1.680696 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=36) 0 -10.419733 9.006255 -2.358145 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=36) 0 -9.916404 9.831037 -0.456266 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=36) 0 -9.135451 10.583525 -0.341746 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=36) 0 -11.258637 10.549209 -0.647067 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=36) 0 -11.143566 11.288081 -1.440442 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=36) 0 -11.991894 9.819298 -0.979883 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=36) 0 -11.847242 11.258550 0.571912 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=36) 0 -11.800703 10.623105 1.452468 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=36) 0 -11.282865 12.166527 0.779664 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=36) 0 -13.308874 11.580557 0.276740 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=36) 0 -13.575834 12.452198 -0.582739 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=36) 0 -14.210964 10.940948 0.870669 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=36) 0 -9.917288 8.950979 0.809802 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=36) 0 -9.539021 9.421307 1.886808 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=37) 0 -10.309674 7.677808 0.715244 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=37) 0 -10.626436 7.329855 -0.183554 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=37) 0 -10.188442 6.722028 1.815036 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=37) 0 -10.503987 7.197332 2.740753 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=37) 0 -11.122390 5.540485 1.572798 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=37) 0 -12.134559 5.911161 1.418415 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=37) 0 -10.801550 4.978241 0.698596 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=37) 0 -11.107070 4.882116 2.440531 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=37) 0 -8.734433 6.287659 2.014655 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=37) 0 -8.257066 6.299943 3.148913 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=38) 0 -7.998553 6.019137 0.928809 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=38) 0 -8.459930 6.019877 0.023877 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=38) 0 -6.550716 5.793365 0.993802 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=38) 0 -6.356989 4.948478 1.655421 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=38) 0 -5.989343 5.467689 -0.405268 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=38) 0 -6.118675 6.339784 -1.044843 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=38) 0 -4.920752 5.295643 -0.282255 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=38) 0 -6.549102 4.259255 -1.169690 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=38) 0 -7.566053 4.469649 -1.495237 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=38) 0 -5.670724 4.034406 -2.401385 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=38) 0 -4.644310 3.815750 -2.104593 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=38) 0 -6.056296 3.196664 -2.978440 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=38) 0 -5.675059 4.929689 -3.021581 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=38) 0 -6.552046 2.987818 -0.331124 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=38) 0 -7.273311 3.097550 0.469413 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=38) 0 -6.854467 2.142427 -0.949182 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=38) 0 -5.562002 2.812087 0.089302 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=38) 0 -5.818026 7.015126 1.588655 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=38) 0 -4.932695 6.870627 2.431536 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=39) 0 -6.206558 8.227758 1.196527 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=39) 0 -6.882758 8.290546 0.442546 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=39) 0 -5.604794 9.473816 1.663059 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=39) 0 -4.522866 9.351062 1.633790 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=39) 0 -5.972672 10.583466 0.675922 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=39) 0 -7.047979 10.749852 0.678315 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=39) 0 -5.462815 11.508210 0.949174 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=39) 0 -5.661223 10.294068 -0.327489 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=39) 0 -5.974821 9.838070 3.113794 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=39) 0 -5.360371 10.736157 3.690824 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=40) 0 -6.937062 9.142255 3.728119 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=40) 0 -7.442151 8.456015 3.184321 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=40) 0 -7.264646 9.258202 5.151543 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=40) 0 -6.833620 10.175706 5.556633 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=40) 0 -8.783395 9.373441 5.282927 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=40) 0 -9.260778 8.467981 4.906963 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=40) 0 -9.041657 9.509308 6.333526 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=40) 0 -9.139027 10.236202 4.719227 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=40) 0 -6.710538 8.089615 5.990375 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=40) 0 -6.328476 8.295573 7.141551 L N-N--0.415700(PDBName=N,ResName=HID,ResNum=41) 0 -6.620773 6.884708 5.417604 L H-H-0.271900(PDBName=H,ResName=HID,ResNum=41) 0 -6.977034 6.779055 4.473986 L C-CT-0.018800(PDBName=CA,ResName=HID,ResNum=41) 0 -6.202813 5.653438 6.092677 L H-H1-0.088100(PDBName=HA,ResName=HID,ResNum=41) 0 -5.903929 5.880672 7.114330 L C-CT--0.046200(PDBName=CB,ResName=HID,ResNum=41) 0 -7.394516 4.692025 6.165619 L H-HC-0.040200(PDBName=HB2,ResName=HID,ResNum=41) 0 -7.690419 4.409560 5.155829 L H-HC-0.040200(PDBName=HB3,ResName=HID,ResNum=41) 0 -7.086310 3.788276 6.691818 L C-CC--0.026600(PDBName=CG,ResName=HID,ResNum=41) 0 -8.585163 5.288925 6.870355 L N-NA--0.381100(PDBName=ND1,ResName=HID,ResNum=41) 0 -8.677051 5.574761 8.212152 L H-H-0.364900(PDBName=HD1,ResName=HID,ResNum=41) 0 -7.946560 5.435335 8.910568 L C-CR-0.205700(PDBName=CE1,ResName=HID,ResNum=41) 0 -9.884265 6.108740 8.443944 L H-H5-0.139200(PDBName=HE1,ResName=HID,ResNum=41) 0 -10.241118 6.413457 9.419923 L N-NB--0.572700(PDBName=NE2,ResName=HID,ResNum=41) 0 -10.580895 6.211656 7.297350 L C-CV-0.129200(PDBName=CD2,ResName=HID,ResNum=41) 0 -9.758602 5.688041 6.291642 L H-H4-0.114700(PDBName=HD2,ResName=HID,ResNum=41) 0 -9.997162 5.619516 5.239152 L C-C-0.597300(PDBName=C,ResName=HID,ResNum=41) 0 -5.000726 5.032865 5.372451 L O-O--0.567900(PDBName=O,ResName=HID,ResNum=41) 0 -5.137668 4.397174 4.324528 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=42) 0 -3.800079 5.245376 5.925024 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=42) 0 -3.779392 5.717959 6.825677 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=42) 0 -2.518648 5.054432 5.215338 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=42) 0 -2.601906 5.530047 4.237411 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=42) 0 -1.386109 5.764694 5.980266 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=42) 0 -1.563546 5.708322 7.055454 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=42) 0 -0.440934 5.255201 5.780805 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=42) 0 -1.205316 7.231497 5.552886 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=42) 0 -0.399341 7.657225 6.152345 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=42) 0 -0.890395 7.246583 4.508892 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=42) 0 -2.449959 8.122505 5.692856 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=42) 0 -3.229582 7.789383 5.006121 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=42) 0 -2.817994 8.084187 6.718535 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=42) 0 -2.054648 9.557177 5.345400 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=42) 0 -1.267798 9.877118 6.034368 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=42) 0 -1.635889 9.576802 4.336633 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=42) 0 -3.195730 10.493059 5.433279 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=42) 0 -3.623568 10.468194 6.353811 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=42) 0 -2.887015 11.450992 5.308462 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=42) 0 -3.900453 10.331174 4.721246 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=42) 0 -2.162740 3.601562 4.879553 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=42) 0 -1.297441 3.398640 4.031491 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=43) 0 -2.865085 2.624757 5.457787 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=43) 0 -3.570933 2.894793 6.124191 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=43) 0 -2.822331 1.209687 5.073901 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=43) 0 -2.321558 1.108277 4.109280 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=43) 0 -2.050012 0.388152 6.119099 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=43) 0 -2.661178 0.309948 7.015494 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=43) 0 -1.905632 -0.615157 5.725863 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=43) 0 -0.710345 0.973532 6.510809 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=43) 0 0.235618 1.259560 5.512157 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=43) 0 0.045185 0.985605 4.483981 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=43) 0 1.365560 2.029427 5.824843 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=43) 0 2.040529 2.323320 5.040098 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=43) 0 1.580909 2.473874 7.145192 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=43) 0 2.618290 3.302978 7.414645 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=43) 0 2.988315 3.624666 6.568723 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=43) 0 0.689189 2.093165 8.166957 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=43) 0 0.858021 2.426083 9.182122 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=43) 0 -0.464511 1.355653 7.845063 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=43) 0 -1.184946 1.140737 8.623136 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=43) 0 -4.247946 0.673828 4.935723 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=43) 0 -5.049966 0.819338 5.863372 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=44) 0 -4.564968 0.046461 3.801354 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=44) 0 -3.871388 -0.028448 3.059708 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=44) 0 -5.921847 -0.412566 3.504570 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=44) 0 -6.435723 -0.575499 4.449605 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=44) 0 -6.666595 0.692262 2.717246 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=44) 0 -5.970922 1.496645 2.471179 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=44) 0 -7.048192 0.297562 1.773888 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=44) 0 -7.830779 1.275258 3.533498 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=44) 0 -7.490955 1.462856 4.550492 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=44) 0 -8.314959 2.600734 2.951078 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=44) 0 -7.470372 3.281802 2.849998 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=44) 0 -8.786059 2.440874 1.982004 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=44) 0 -9.027686 3.060543 3.628374 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=44) 0 -9.015517 0.306461 3.556893 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=44) 0 -8.706102 -0.667270 3.926444 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=44) 0 -9.797773 0.691517 4.206755 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=44) 0 -9.404044 0.177665 2.547659 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=44) 0 -5.932349 -1.752638 2.766709 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=44) 0 -5.281291 -1.898631 1.734855 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=45) 0 -6.712404 -2.712641 3.269020 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=45) 0 -7.199833 -2.525038 4.139468 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=45) 0 -7.070704 -3.929805 2.535239 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=45) 0 -6.409277 -4.021142 1.676479 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=45) 0 -6.880264 -5.168548 3.430750 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=45) 0 -6.098652 -4.979604 4.164593 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=45) 0 -7.808850 -5.334918 3.969474 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=45) 0 -6.529318 -6.449058 2.651812 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=45) 0 -7.167616 -6.530330 1.774270 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=45) 0 -5.071737 -6.442582 2.202680 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=45) 0 -4.403695 -6.418872 3.061173 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=45) 0 -4.869211 -7.338524 1.624331 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=45) 0 -4.891597 -5.579294 1.574822 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=45) 0 -6.720416 -7.686006 3.524718 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=45) 0 -6.568897 -8.581901 2.924431 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=45) 0 -6.007562 -7.677309 4.348067 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=45) 0 -7.737438 -7.707904 3.914881 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=45) 0 -8.504371 -3.802470 2.002192 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=45) 0 -9.404455 -3.382633 2.725057 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=46) 0 -8.747292 -4.179822 0.751301 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=46) 0 -7.973017 -4.562484 0.218968 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=46) 0 -9.975584 -3.870319 0.007428 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=46) 0 -10.703578 -3.428160 0.684172 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=46) 0 -9.704341 -2.832831 -1.100556 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=46) 0 -9.111053 -3.293558 -1.890937 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=46) 0 -11.027244 -2.332591 -1.695094 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=46) 0 -11.622242 -1.829502 -0.933755 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=46) 0 -10.827297 -1.646462 -2.516197 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=46) 0 -11.603326 -3.168661 -2.094440 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=46) 0 -8.926076 -1.611168 -0.584760 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=46) 0 -7.952667 -1.912670 -0.199764 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=46) 0 -8.750877 -0.919306 -1.404410 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=46) 0 -9.480727 -1.109287 0.205379 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=46) 0 -10.581983 -5.143250 -0.579059 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=46) 0 -9.979831 -5.780856 -1.438061 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=47) 0 -11.770664 -5.486340 -0.094838 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=47) 0 -12.179523 -4.868061 0.596475 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=47) 0 -12.683366 -6.519774 -0.581384 L H-HC 1 0.0000 H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=47) 0 -12.114027 -7.378066 -0.939687 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=47) 0 -13.531126 -5.971111 -1.737973 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=47) 0 -14.077368 -4.872154 -1.656329 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=48) 0 -13.685527 -6.754671 -2.800909 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=48) 0 -13.158858 -7.621453 -2.819899 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=48) 0 -14.546059 -6.470264 -3.950148 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=48) 0 -15.174796 -5.608127 -3.738492 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=48) 0 -13.693148 -6.166037 -5.190346 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=48) 0 -13.166190 -7.072785 -5.464703 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=48) 0 -14.366386 -5.930772 -6.015426 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=48) 0 -12.658411 -5.058961 -5.070817 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=48) 0 -12.931308 -3.784099 -5.592516 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=48) 0 -13.904082 -3.584064 -6.007573 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=48) 0 -11.948552 -2.777944 -5.582426 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=48) 0 -12.166078 -1.803692 -5.996853 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=48) 0 -10.681273 -3.044170 -5.037082 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=48) 0 -9.923061 -2.273119 -5.024553 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=48) 0 -10.410629 -4.311015 -4.491158 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=48) 0 -9.452095 -4.517000 -4.043869 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=48) 0 -11.393634 -5.314926 -4.509316 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=48) 0 -11.174659 -6.281996 -4.082697 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=48) 0 -15.440847 -7.692256 -4.184965 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=48) 0 -14.930763 -8.776345 -4.486934 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=49) 0 -16.755769 -7.550460 -3.996708 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=49) 0 -17.129961 -6.619530 -3.834664 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=49) 0 -17.623399 -8.691751 -3.678534 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=49) 0 -17.108102 -9.607974 -3.966222 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=49) 0 -17.825171 -8.756878 -2.156283 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=49) 0 -18.227708 -9.735652 -1.915071 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=49) 0 -16.854512 -8.688493 -1.664468 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=49) 0 -18.757659 -7.720426 -1.556066 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=49) 0 -20.070650 -8.087393 -1.197742 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=49) 0 -20.417046 -9.094708 -1.375777 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=49) 0 -20.926445 -7.146367 -0.595480 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=49) 0 -21.934370 -7.414013 -0.329288 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=49) 0 -20.473859 -5.831269 -0.363943 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=49) 0 -21.281307 -4.937345 0.261069 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=49) 0 -20.941645 -4.029950 0.142336 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=49) 0 -19.175333 -5.452182 -0.758800 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=49) 0 -18.840579 -4.440078 -0.598006 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=49) 0 -18.311894 -6.403400 -1.333954 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=49) 0 -17.302965 -6.123350 -1.601639 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=49) 0 -18.968627 -8.704656 -4.415469 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=49) 0 -19.499497 -7.660732 -4.793980 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=50) 0 -19.531818 -9.907484 -4.577304 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=50) 0 -19.039578 -10.711829 -4.206680 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=50) 0 -20.865688 -10.142875 -5.131114 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=50) 0 -21.267895 -9.193371 -5.484675 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=50) 0 -20.748383 -11.069392 -6.346438 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=50) 0 -20.142674 -10.593871 -7.118502 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=50) 0 -20.279400 -12.010293 -6.058774 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=50) 0 -21.737417 -11.272568 -6.759790 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=50) 0 -21.798428 -10.716862 -4.040619 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=50) 0 -21.468533 -11.745450 -3.429132 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=51) 0 -22.973250 -10.103611 -3.788493 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=51) 0 -23.656651 -9.171037 -4.676642 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=51) 0 -23.567370 -9.466931 -5.723234 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=51) 0 -23.261183 -8.163393 -4.532524 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=51) 0 -25.117785 -9.222907 -4.244207 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=51) 0 -25.600942 -10.103171 -4.669184 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=51) 0 -25.664468 -8.324810 -4.522597 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=51) 0 -24.981635 -9.378824 -2.729660 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=51) 0 -25.889257 -9.793491 -2.290512 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=51) 0 -24.756851 -8.407609 -2.284940 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=51) 0 -23.770847 -10.311551 -2.568684 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=51) 0 -23.197607 -10.006014 -1.692969 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=51) 0 -24.222019 -11.764352 -2.367148 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=51) 0 -24.324578 -12.260674 -1.243580 L N-N--0.415700(PDBName=N,ResName=TRP,ResNum=52) 0 -24.458348 -12.488003 -3.458714 L H-H-0.271900(PDBName=H,ResName=TRP,ResNum=52) 0 -24.415421 -12.022331 -4.357217 L C-CT--0.005000(PDBName=CB,ResName=TRP,ResNum=52) 0 -25.945440 -14.013761 -4.601471 L H-HC-0.033900(PDBName=HB2,ResName=TRP,ResNum=52) 0 -26.249261 -15.058215 -4.688368 L H-HC-0.033900(PDBName=HB3,ResName=TRP,ResNum=52) 0 -26.841577 -13.435946 -4.367832 L C-C*--0.141500(PDBName=CG,ResName=TRP,ResNum=52) 0 -25.417611 -13.551009 -5.921812 L C-CW--0.163800(PDBName=CD1,ResName=TRP,ResNum=52) 0 -25.792020 -12.436923 -6.593120 L H-H4-0.206200(PDBName=HD1,ResName=TRP,ResNum=52) 0 -26.579139 -11.751842 -6.294901 L N-NA--0.341800(PDBName=NE1,ResName=TRP,ResNum=52) 0 -25.034648 -12.313451 -7.741458 L H-H-0.341200(PDBName=HE1,ResName=TRP,ResNum=52) 0 -25.195118 -11.594179 -8.445709 L C-CN-0.138000(PDBName=CE2,ResName=TRP,ResNum=52) 0 -24.156784 -13.364865 -7.884102 L C-CA--0.260100(PDBName=CZ2,ResName=TRP,ResNum=52) 0 -23.236174 -13.723836 -8.874523 L H-HA-0.157200(PDBName=HZ2,ResName=TRP,ResNum=52) 0 -23.123480 -13.127725 -9.770504 L C-CA--0.113400(PDBName=CH2,ResName=TRP,ResNum=52) 0 -22.543864 -14.936204 -8.743404 L H-HA-0.141700(PDBName=HH2,ResName=TRP,ResNum=52) 0 -21.892204 -15.273775 -9.532405 L C-CA--0.197200(PDBName=CZ3,ResName=TRP,ResNum=52) 0 -22.710079 -15.729897 -7.601022 L H-HA-0.144700(PDBName=HZ3,ResName=TRP,ResNum=52) 0 -22.139802 -16.639386 -7.497140 L C-CA--0.238700(PDBName=CE3,ResName=TRP,ResNum=52) 0 -23.660582 -15.381219 -6.633763 L H-HA-0.170000(PDBName=HE3,ResName=TRP,ResNum=52) 0 -23.872808 -16.071905 -5.839308 L C-CB-0.124300(PDBName=CD2,ResName=TRP,ResNum=52) 0 -24.397808 -14.185021 -6.743885 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=57) 0 -20.238483 -14.703404 2.195741 L H-H 153 0.0000 H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=57) 0 -20.478258 -13.715961 2.594114 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=57) 0 -21.542545 -15.475742 1.984210 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=57) 0 -21.295507 -16.442059 1.544792 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=57) 0 -21.996621 -15.661992 2.957525 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=57) 0 -22.590812 -14.764710 1.108891 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=57) 0 -23.015429 -13.915651 1.646337 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=57) 0 -22.156450 -14.419505 0.172280 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=57) 0 -23.672088 -15.805293 0.820315 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=57) 0 -23.200976 -16.651617 0.320181 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=57) 0 -24.083740 -16.138201 1.774094 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=57) 0 -24.831019 -15.338081 -0.051047 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=57) 0 -25.478535 -14.680521 0.538084 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=57) 0 -24.447468 -14.763817 -0.895577 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=57) 0 -25.597562 -16.514632 -0.531486 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=57) 0 -25.121834 -16.996426 -1.293431 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=57) 0 -25.703750 -17.204167 0.209485 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=57) 0 -26.517259 -16.229009 -0.861514 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=57) 0 -19.362612 -15.408773 3.255309 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=57) 0 -19.703802 -15.371649 4.444790 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=58) 0 -18.240327 -16.024185 2.853665 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=58) 0 -18.068269 -16.114250 1.860217 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=58) 0 -17.198255 -16.501791 3.762606 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=58) 0 -17.666297 -16.945973 4.640210 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=58) 0 -16.397814 -17.612625 3.070795 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=58) 0 -17.069852 -18.399726 2.727067 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=58) 0 -15.843210 -17.215824 2.222125 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=58) 0 -15.688732 -18.044016 3.779494 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=58) 0 -16.296284 -15.349281 4.247853 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=58) 0 -16.010895 -15.271872 5.441628 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=59) 0 -15.912378 -14.433655 3.345786 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=59) 0 -16.192760 -14.563793 2.382935 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=59) 0 -15.030771 -13.297343 3.641982 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=59) 0 -14.193205 -13.664128 4.238573 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=59) 0 -14.487915 -12.731415 2.315181 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=59) 0 -15.327796 -12.339075 1.743351 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=59) 0 -14.047984 -13.536245 1.731374 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=59) 0 -13.447481 -11.602523 2.480215 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=59) 0 -13.857716 -10.800791 3.092330 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=59) 0 -12.145668 -12.104773 3.107454 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=59) 0 -11.742080 -12.927412 2.524383 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=59) 0 -12.320850 -12.427429 4.134362 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=59) 0 -11.410722 -11.301584 3.123583 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=59) 0 -13.097473 -11.028716 1.112302 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=59) 0 -12.608049 -11.781874 0.499631 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=59) 0 -14.010166 -10.692771 0.621940 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=59) 0 -12.440807 -10.167574 1.237880 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=59) 0 -15.709561 -12.183248 4.453030 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=59) 0 -15.139037 -11.722760 5.433601 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=60) 0 -16.908788 -11.736985 4.071182 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=60) 0 -17.313032 -12.133500 3.234090 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=60) 0 -17.458474 -10.464305 4.556610 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=60) 0 -16.757292 -9.686414 4.246826 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=60) 0 -18.775077 -10.171303 3.822365 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=60) 0 -19.156748 -9.200538 4.141495 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=60) 0 -18.587600 -10.126381 2.748242 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=60) 0 -19.522656 -10.934307 4.026023 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=60) 0 -17.577534 -10.337964 6.100755 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=60) 0 -17.180185 -9.292373 6.627717 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=61) 0 -18.020140 -11.370124 6.860116 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=61) 0 -18.658925 -12.598417 6.410805 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=61) 0 -17.909682 -13.387339 6.325513 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=61) 0 -19.184552 -12.478983 5.466619 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=61) 0 -19.652386 -12.944076 7.513493 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=61) 0 -19.901843 -14.005281 7.517974 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=61) 0 -20.549796 -12.332246 7.407008 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=61) 0 -18.891377 -12.531953 8.771457 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=61) 0 -18.238205 -13.352202 9.076473 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=61) 0 -19.571780 -12.271228 9.583240 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=61) 0 -18.055221 -11.321451 8.330453 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=61) 0 -18.564092 -10.407676 8.640556 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=61) 0 -16.663226 -11.367479 8.983808 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=61) 0 -16.484852 -10.901853 10.112043 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=62) 0 -15.670340 -11.909618 8.275409 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=62) 0 -15.866664 -12.226889 7.334137 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=62) 0 -14.267331 -11.956173 8.696603 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=62) 0 -14.228256 -12.077035 9.774636 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=62) 0 -13.564832 -13.158028 8.050773 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=62) 0 -13.738119 -13.162077 6.976161 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=62) 0 -12.491485 -13.066897 8.214534 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=62) 0 -14.054571 -14.487157 8.642845 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=62) 0 -15.131987 -14.577953 8.488783 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=62) 0 -13.574196 -15.307588 8.106419 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=62) 0 -13.734238 -14.608720 10.137613 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=62) 0 -14.365701 -15.432781 10.838369 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=62) 0 -12.829657 -13.907249 10.637269 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=62) 0 -13.533084 -10.651810 8.385305 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=62) 0 -12.748116 -10.178873 9.202706 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=63) 0 -13.887965 -9.989188 7.283961 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=63) 0 -14.489080 -10.465095 6.619520 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=63) 0 -13.549828 -8.590320 7.030403 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=63) 0 -12.463836 -8.491852 7.051509 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=63) 0 -14.062414 -8.187703 5.636066 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=63) 0 -14.599886 -9.013123 5.167712 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=63) 0 -14.767189 -7.360281 5.728546 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=63) 0 -12.936293 -7.783565 4.715600 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=63) 0 -11.939326 -8.719672 4.384817 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=63) 0 -12.019907 -9.731574 4.753122 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=63) 0 -10.845890 -8.336235 3.587182 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=63) 0 -10.073960 -9.043319 3.324632 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=63) 0 -10.763550 -7.009670 3.122920 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=63) 0 -9.730299 -6.617054 2.348636 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=63) 0 -9.862630 -5.715174 2.049438 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=63) 0 -11.759651 -6.074476 3.453065 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=63) 0 -11.683891 -5.065257 3.093713 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=63) 0 -12.856506 -6.466208 4.236194 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=63) 0 -13.644030 -5.762701 4.457974 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=63) 0 -14.100737 -7.676361 8.133228 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=63) 0 -13.386856 -6.804460 8.629452 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=64) 0 -15.325776 -7.936271 8.602091 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=64) 0 -15.895108 -8.612970 8.106687 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=64) 0 -15.890311 -7.267525 9.769975 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=64) 0 -15.783493 -6.191062 9.627328 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=64) 0 -17.391243 -7.569078 9.827110 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=64) 0 -17.570623 -8.639731 9.862078 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=64) 0 -17.825737 -7.115839 10.715628 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=64) 0 -17.881248 -7.159226 8.943132 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=64) 0 -15.139677 -7.612441 11.076834 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=64) 0 -14.826090 -6.691377 11.837349 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=65) 0 -14.764034 -8.880283 11.331121 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=65) 0 -15.073629 -9.609795 10.696291 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=65) 0 -13.921019 -9.250122 12.493339 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=65) 0 -14.403664 -8.901824 13.408174 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=65) 0 -13.699547 -10.773141 12.600335 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=65) 0 -13.681055 -11.206251 11.604128 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=65) 0 -12.723544 -10.929897 13.058535 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=65) 0 -14.692444 -11.544600 13.479887 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=65) 0 -14.554676 -11.240423 14.518413 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=65) 0 -15.707605 -11.296764 13.177805 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=65) 0 -14.523032 -13.073275 13.371226 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=65) 0 -15.174249 -13.547929 14.105532 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=65) 0 -14.875659 -13.366691 12.382453 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=65) 0 -13.085044 -13.600389 13.559365 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=65) 0 -12.432100 -13.067398 12.863197 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=65) 0 -12.747013 -13.409000 14.580677 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=65) 0 -13.000268 -15.047734 13.242048 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=65) 0 -13.387750 -15.197885 12.305660 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=65) 0 -12.047674 -15.391020 13.198783 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=65) 0 -13.525215 -15.606517 13.905847 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=65) 0 -12.558956 -8.554600 12.435229 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=65) 0 -12.102243 -8.067389 13.464588 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=66) 0 -11.934396 -8.467905 11.259526 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=66) 0 -12.348385 -8.952016 10.469368 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=66) 0 -10.656726 -7.791559 11.043188 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=66) 0 -9.931251 -8.170247 11.763638 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=66) 0 -10.146930 -8.131873 9.638825 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=66) 0 -9.187542 -7.642166 9.470197 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=66) 0 -10.014596 -9.207288 9.541389 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=66) 0 -10.859543 -7.797958 8.884949 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=66) 0 -10.765899 -6.272824 11.245222 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=66) 0 -9.904096 -5.683390 11.894502 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=67) 0 -11.838040 -5.641028 10.756265 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=67) 0 -12.480758 -6.159415 10.164440 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=67) 0 -12.095861 -4.218192 10.968910 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=67) 0 -11.218884 -3.653593 10.665030 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=67) 0 -13.277302 -3.789457 10.097047 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=67) 0 -13.442088 -2.720256 10.216412 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=67) 0 -13.056881 -3.998167 9.053336 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=67) 0 -14.181806 -4.326332 10.384978 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=67) 0 -12.334641 -3.883800 12.444116 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=67) 0 -11.753199 -2.921083 12.950523 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=68) 0 -13.125695 -4.708756 13.137651 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=68) 0 -13.566263 -5.473379 12.637290 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=68) 0 -13.362898 -4.600581 14.576288 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=68) 0 -13.761839 -3.612568 14.807132 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=68) 0 -14.094003 -5.352477 14.874214 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=68) 0 -12.083069 -4.820624 15.383577 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=68) 0 -11.773634 -4.001029 16.246954 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=69) 0 -11.305254 -5.857882 15.034400 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=69) 0 -11.661596 -6.487256 14.322416 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=69) 0 -9.988385 -6.178421 15.605109 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=69) 0 -10.099557 -6.344376 16.678626 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=69) 0 -9.427571 -7.466459 14.973989 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=69) 0 -10.008779 -8.308569 15.341666 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=69) 0 -9.542473 -7.420871 13.892432 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=69) 0 -7.938713 -7.709422 15.275202 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=69) 0 -7.338497 -7.012838 14.688573 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=69) 0 -7.743168 -7.524778 16.332621 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=69) 0 -7.514107 -9.135871 14.900553 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=69) 0 -8.180159 -9.537447 14.134976 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=69) 0 -6.504912 -9.117373 14.487727 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=69) 0 -7.536271 -10.047665 16.127995 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=69) 0 -8.404185 -9.804102 16.746889 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=69) 0 -7.631760 -11.082711 15.788920 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=69) 0 -6.283092 -9.912043 16.904541 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=69) 0 -5.515021 -10.262506 16.339031 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=69) 0 -6.048072 -8.936420 17.103959 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=69) 0 -6.309440 -10.458549 17.759717 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=69) 0 -9.015879 -5.023381 15.460296 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=69) 0 -8.593016 -4.484013 16.469780 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=70) 0 -8.681370 -4.603727 14.240284 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=70) 0 -9.086100 -5.068719 13.435068 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=70) 0 -7.671120 -3.563584 14.032221 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=70) 0 -6.765028 -3.867956 14.553247 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=70) 0 -7.358583 -3.437539 12.529080 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=70) 0 -8.290662 -3.474000 11.962917 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=70) 0 -6.899610 -2.468602 12.336884 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=70) 0 -6.397399 -4.532311 12.022976 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=70) 0 -6.761719 -5.511862 12.331267 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=70) 0 -6.320020 -4.498613 10.497260 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=70) 0 -6.205686 -3.473952 10.149604 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=70) 0 -5.486056 -5.100208 10.139425 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=70) 0 -7.235910 -4.915442 10.094231 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=70) 0 -4.974557 -4.343964 12.552162 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=70) 0 -4.618419 -3.348970 12.298107 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=70) 0 -4.950607 -4.464308 13.633054 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=70) 0 -4.311791 -5.091262 12.119948 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=70) 0 -8.088190 -2.235083 14.679239 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=70) 0 -7.247256 -1.548322 15.258083 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=71) 0 -9.388540 -1.917219 14.700613 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=71) 0 -10.041883 -2.524842 14.219985 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=71) 0 -9.903775 -0.726554 15.386394 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=71) 0 -9.264067 0.113466 15.110467 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=71) 0 -11.309232 -0.437232 14.847616 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=71) 0 -11.235363 -0.373108 13.761104 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=71) 0 -11.973820 -1.266472 15.096256 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=71) 0 -11.927639 0.870419 15.358127 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=71) 0 -12.285743 0.723846 16.375628 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=71) 0 -11.180578 1.661860 15.351434 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=71) 0 -13.091890 1.266117 14.438885 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=71) 0 -12.698025 1.712605 13.523991 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=71) 0 -13.631967 0.360834 14.164840 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=71) 0 -14.106670 2.214148 15.080534 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=71) 0 -14.909138 2.393929 14.362081 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=71) 0 -14.555155 1.718247 15.946448 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=71) 0 -13.536656 3.513767 15.500357 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=71) 0 -13.064448 4.007223 14.749104 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=71) 0 -14.304677 4.094381 15.836895 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=71) 0 -12.917344 3.385822 16.295654 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=71) 0 -9.814797 -0.848595 16.913448 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=71) 0 -9.467162 0.141672 17.556495 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=72) 0 -10.020576 -2.034944 17.488905 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=72) 0 -10.320917 -2.806302 16.903938 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=72) 0 -9.829893 -2.313285 18.916833 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=72) 0 -10.275475 -1.501397 19.492259 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=72) 0 -10.590545 -3.597940 19.261054 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=72) 0 -10.160271 -4.446891 18.727671 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=72) 0 -10.530947 -3.784179 20.332430 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=72) 0 -11.640068 -3.495484 18.985169 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=72) 0 -8.340648 -2.394641 19.318601 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=72) 0 -7.954350 -1.878654 20.368616 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=73) 0 -7.474083 -2.917307 18.448423 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=73) 0 -7.864829 -3.390970 17.639448 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=73) 0 -6.004287 -2.877693 18.543828 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=73) 0 -5.710017 -3.238885 19.527012 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=73) 0 -5.379817 -3.825431 17.495864 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=73) 0 -5.762969 -3.562285 16.511294 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=73) 0 -4.300761 -3.669398 17.487022 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=73) 0 -5.634698 -5.323219 17.769037 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=73) 0 -5.244853 -5.563534 18.757817 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=73) 0 -6.705740 -5.519259 17.790113 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=73) 0 -4.975049 -6.261178 16.740226 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=73) 0 -4.380743 -5.780891 15.748635 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=73) 0 -5.023142 -7.502748 16.932680 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=73) 0 -5.430737 -1.446129 18.404130 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=73) 0 -4.215561 -1.245863 18.495521 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=74) 0 -6.287841 -0.437188 18.198163 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=74) 0 -7.267633 -0.669708 18.121550 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=74) 0 -5.914456 0.974239 18.074511 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=74) 0 -6.808757 1.585241 18.193076 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=74) 0 -5.213870 1.230064 18.869758 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=74) 0 -5.266720 1.329400 16.733210 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=74) 0 -4.726337 2.426283 16.588223 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=75) 0 -5.311930 0.426645 15.754820 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=75) 0 -5.865860 -0.410218 15.905578 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=75) 0 -4.559958 0.504717 14.505443 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=75) 0 -3.529781 0.766489 14.746942 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=75) 0 -4.549058 -0.860814 13.823160 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=75) 0 -4.281122 -1.639940 14.538296 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=75) 0 -5.538865 -1.070463 13.421266 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=75) 0 -3.616791 -0.843883 12.767751 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=75) 0 -2.791774 -1.260074 13.102974 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=75) 0 -5.102013 1.536925 13.520890 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=75) 0 -6.313399 1.678810 13.322615 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=76) 0 -4.180060 2.205032 12.837143 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=76) 0 -3.206899 2.044315 13.091591 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=76) 0 -4.418218 3.045987 11.666037 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=76) 0 -5.284496 3.674688 11.875726 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=76) 0 -3.206384 3.979880 11.467744 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=76) 0 -3.508817 4.766454 10.778107 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=76) 0 -2.974458 4.467555 12.415864 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=76) 0 -1.920134 3.342647 10.899871 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=76) 0 -2.143234 2.940172 9.909921 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=76) 0 -1.185783 4.138720 10.761068 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=76) 0 -1.286402 2.244671 11.772944 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=76) 0 -1.407093 2.303331 13.021349 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=76) 0 -0.691119 1.308957 11.197660 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=76) 0 -4.746424 2.245638 10.388306 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=76) 0 -5.272124 2.823218 9.433870 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=77) 0 -4.472418 0.934307 10.367788 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=77) 0 -4.066212 0.520182 11.202186 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=77) 0 -4.794380 0.024879 9.257264 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=77) 0 -4.457877 0.480125 8.327977 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=77) 0 -4.104624 -1.350151 9.436997 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=77) 0 -4.588570 -1.842755 10.280525 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=77) 0 -4.320738 -2.216099 8.179891 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=77) 0 -5.380710 -2.418874 8.025787 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=77) 0 -3.925537 -1.713249 7.298091 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=77) 0 -3.817179 -3.171734 8.297451 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=77) 0 -2.594515 -1.284137 9.756889 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=77) 0 -2.029277 -1.064815 8.854087 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=77) 0 -2.395596 -0.489406 10.469869 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=77) 0 -2.078918 -2.585703 10.388569 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=77) 0 -2.056956 -3.391479 9.657220 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=77) 0 -1.076394 -2.425633 10.777737 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=77) 0 -2.710025 -2.880616 11.222448 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=77) 0 -6.310780 -0.187015 9.190957 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=77) 0 -6.925149 -0.493709 10.215909 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=78) 0 -6.916999 -0.082899 8.000608 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=78) 0 -6.339609 0.155899 7.197297 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=78) 0 -8.360275 -0.312699 7.781803 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=78) 0 -8.799215 -0.689831 8.706912 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=78) 0 -9.067959 1.011826 7.422104 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=78) 0 -8.660600 1.386511 6.484706 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=78) 0 -10.129434 0.818185 7.262735 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=78) 0 -8.942974 2.128036 8.472738 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=78) 0 -7.899360 2.433260 8.545909 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=78) 0 -9.522190 2.983186 8.129408 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=78) 0 -9.430921 1.740061 9.872910 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=78) 0 -8.908504 0.847010 10.190358 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=78) 0 -9.160085 2.522775 10.577647 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=78) 0 -10.880052 1.478453 9.925229 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=78) 0 -11.151803 0.504443 10.010001 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=78) 0 -11.832200 2.378354 10.062709 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=78) 0 -11.564826 3.633958 10.248222 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=78) 0 -10.609222 3.923956 10.443187 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=78) 0 -12.312495 4.270438 10.460155 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=78) 0 -13.084572 2.033661 10.021270 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=78) 0 -13.333523 1.087386 9.752093 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=78) 0 -13.810295 2.749215 10.017747 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=78) 0 -8.649839 -1.405684 6.749934 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=78) 0 -7.774403 -1.848300 6.007154 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=79) 0 -9.914460 -1.819201 6.716451 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=79) 0 -10.561348 -1.379425 7.352084 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=79) 0 -10.494630 -2.778932 5.777728 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=79) 0 -9.746261 -3.098075 5.056333 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=79) 0 -11.040737 -4.011552 6.526244 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=79) 0 -11.821945 -3.677917 7.207422 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=79) 0 -11.528443 -4.650223 5.793669 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=79) 0 -10.068876 -4.902669 7.318613 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=79) 0 -10.649189 -5.743818 7.695494 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=79) 0 -8.941012 -5.455526 6.456432 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=79) 0 -9.361215 -6.047235 5.642696 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=79) 0 -8.344116 -4.637788 6.055608 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=79) 0 -8.296773 -6.086771 7.064376 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=79) 0 -9.439027 -4.206310 8.523079 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=79) 0 -8.501587 -3.722961 8.250821 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=79) 0 -10.117879 -3.457648 8.919569 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=79) 0 -9.244765 -4.951264 9.289127 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=79) 0 -11.647211 -2.085970 5.044630 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=79) 0 -12.421133 -1.389736 5.694939 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=80) 0 -11.797878 -2.280724 3.737182 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=80) 0 -11.103969 -2.847952 3.261623 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=80) 0 -12.849076 -1.676295 2.912346 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=80) 0 -13.584789 -1.200528 3.554160 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=80) 0 -12.209433 -0.605065 2.029475 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=80) 0 -11.783730 0.181661 2.648928 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=80) 0 -11.425061 -1.052086 1.421158 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=80) 0 -12.966981 -0.182362 1.372657 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=80) 0 -13.589324 -2.709170 2.051092 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=80) 0 -12.972752 -3.677312 1.629108 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=81) 0 -14.870506 -2.479977 1.739470 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=81) 0 -15.281602 -1.617430 2.079137 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=81) 0 -15.714237 -3.339365 0.895987 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=81) 0 -15.073678 -4.110872 0.465140 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=81) 0 -16.756129 -4.092304 1.747771 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=81) 0 -17.229905 -4.849404 1.124165 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=81) 0 -16.229023 -4.619838 2.539988 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=81) 0 -17.845798 -3.211815 2.384681 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=81) 0 -17.381593 -2.481923 3.048528 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=81) 0 -18.379929 -2.676678 1.600660 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=81) 0 -16.325440 -2.572358 -0.281764 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=81) 0 -16.868662 -1.472748 -0.123574 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=82) 0 -16.249886 -3.169612 -1.466997 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=82) 0 -15.697024 -4.021381 -1.508166 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=82) 0 -16.678320 -2.602264 -2.751443 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=82) 0 -17.104404 -1.618277 -2.592232 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=82) 0 -15.483612 -2.400273 -3.696040 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=82) 0 -15.018819 -3.361330 -3.899974 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=82) 0 -15.953357 -1.788064 -5.023137 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=82) 0 -16.509788 -0.870971 -4.835043 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=82) 0 -15.094366 -1.578205 -5.655694 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=82) 0 -16.598826 -2.488610 -5.552521 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=82) 0 -14.435803 -1.476729 -3.060304 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=82) 0 -14.904475 -0.552721 -2.725436 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=82) 0 -13.978391 -1.976410 -2.206397 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=82) 0 -13.647270 -1.254059 -3.777878 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=82) 0 -17.739697 -3.490071 -3.391127 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=82) 0 -17.457862 -4.621806 -3.786979 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=83) 0 -18.956518 -2.962818 -3.510967 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=83) 0 -19.124563 -2.032185 -3.147730 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=83) 0 -20.085912 -3.688870 -4.090594 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=83) 0 -20.098392 -4.696182 -3.666681 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=83) 0 -21.394186 -2.999334 -3.681433 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=83) 0 -21.361158 -2.756947 -2.623546 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=83) 0 -21.518446 -2.067919 -4.236396 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=83) 0 -22.587541 -3.911125 -3.930136 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=83) 0 -22.738097 -4.361802 -5.083928 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=83) 0 -23.361372 -4.174299 -2.980143 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=83) 0 -19.949399 -3.812315 -5.620333 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=83) 0 -20.045127 -2.824077 -6.359737 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=84) 0 -19.729832 -5.032448 -6.114093 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=84) 0 -19.669043 -5.821668 -5.476296 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=84) 0 -19.504299 -5.281679 -7.534367 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=84) 0 -18.865340 -4.481199 -7.909196 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=84) 0 -18.722530 -6.589518 -7.695250 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=84) 0 -18.391096 -6.682535 -8.729104 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=84) 0 -17.847429 -6.585306 -7.043765 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=84) 0 -19.359245 -7.438894 -7.443947 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=84) 0 -20.785969 -5.249714 -8.392661 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=84) 0 -20.679350 -5.369039 -9.616764 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=85) 0 -21.976564 -5.074816 -7.806466 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=85) 0 -22.025464 -5.004697 -6.790038 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=85) 0 -23.248413 -4.936809 -8.542829 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=85) 0 -23.069707 -5.078115 -9.608437 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=85) 0 -24.269376 -6.016204 -8.136640 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=85) 0 -25.145135 -5.923243 -8.778236 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=85) 0 -23.723670 -7.439372 -8.258931 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=85) 0 -22.878821 -7.587221 -7.587244 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=85) 0 -24.510085 -8.148840 -8.001319 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=85) 0 -23.414758 -7.622931 -9.286340 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=85) 0 -24.683096 -5.859531 -6.804475 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=85) 0 -25.402925 -5.191705 -6.826430 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=85) 0 -23.851972 -3.535862 -8.402439 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=85) 0 -24.454706 -3.037880 -9.354058 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=86) 0 -23.672171 -2.850671 -7.266700 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=86) 0 -23.253221 -3.352961 -6.482271 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=86) 0 -24.243553 -1.513067 -7.021919 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=86) 0 -25.041057 -1.336851 -7.743106 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=86) 0 -24.889565 -1.415151 -5.628471 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=86) 0 -24.107694 -1.404139 -4.867766 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=86) 0 -25.416660 -0.461625 -5.573542 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=86) 0 -25.888780 -2.531032 -5.285086 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=86) 0 -25.328046 -3.386325 -4.915032 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=86) 0 -26.537974 -2.184491 -4.478438 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=86) 0 -26.742197 -2.976822 -6.475294 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=86) 0 -27.437681 -2.138720 -7.098227 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=86) 0 -26.685586 -4.167743 -6.857009 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=86) 0 -23.259292 -0.356910 -7.235379 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=86) 0 -23.669589 0.686157 -7.747642 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=87) 0 -21.972260 -0.513853 -6.905484 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=87) 0 -21.675410 -1.394298 -6.496513 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=87) 0 -20.939490 0.469586 -7.272472 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=87) 0 -21.396526 1.452001 -7.395446 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=87) 0 -19.852835 0.590553 -6.187874 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=87) 0 -19.447526 -0.391471 -5.951648 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=87) 0 -19.033203 1.195938 -6.579070 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=87) 0 -20.363370 1.242588 -4.898177 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=87) 0 -21.150792 0.622339 -4.464555 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=87) 0 -19.542377 1.288373 -4.181709 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=87) 0 -20.886127 2.658226 -5.155826 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=87) 0 -22.076381 2.924733 -4.875501 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=87) 0 -20.118736 3.514194 -5.655330 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=87) 0 -20.322489 0.132509 -8.629073 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=87) 0 -20.264337 1.005057 -9.498063 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=88) 0 -19.923935 -1.133370 -8.820832 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=88) 0 -20.036972 -1.757922 -8.025432 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=88) 0 -19.343317 -1.722311 -10.042293 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=88) 0 -19.086363 -2.754071 -9.804187 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=88) 0 -20.411114 -1.785239 -11.141677 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=88) 0 -21.290434 -2.313330 -10.768269 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=88) 0 -20.704843 -0.774348 -11.427543 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=88) 0 -19.910017 -2.459475 -12.276506 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=88) 0 -20.528289 -2.264148 -13.016426 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=88) 0 -18.043216 -1.066307 -10.540426 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=88) 0 -16.987229 -1.698070 -10.544766 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=89) 0 -18.079092 0.218024 -10.894303 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=89) 0 -18.967842 0.690391 -10.776261 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=89) 0 -16.985027 0.957468 -11.532430 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=89) 0 -16.674524 0.412274 -12.423475 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=89) 0 -17.474075 2.349571 -11.940589 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=89) 0 -17.802299 2.889090 -11.052052 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=89) 0 -16.643290 2.898802 -12.382285 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=89) 0 -18.597448 2.304530 -12.962502 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=89) 0 -18.468760 1.574590 -13.966200 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=89) 0 -19.591164 3.049342 -12.790545 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=89) 0 -15.750407 1.131184 -10.647777 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=89) 0 -14.654172 1.346087 -11.165132 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=90) 0 -15.906236 1.027403 -9.325434 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=90) 0 -16.839477 0.881119 -8.971914 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=90) 0 -14.777266 0.980935 -8.399659 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=90) 0 -14.056850 1.734672 -8.708495 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=90) 0 -15.269084 1.339380 -6.985692 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=90) 0 -15.688694 2.345301 -7.004724 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=90) 0 -16.059067 0.646758 -6.695446 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=90) 0 -14.148745 1.288621 -5.931376 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=90) 0 -13.767189 0.272172 -5.857312 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=90) 0 -12.991250 2.214499 -6.281661 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=90) 0 -13.334467 3.245964 -6.365156 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=90) 0 -12.239596 2.128147 -5.504878 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=90) 0 -12.524941 1.915258 -7.217627 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=90) 0 -14.666479 1.698522 -4.556041 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=90) 0 -13.911071 1.471807 -3.806105 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=90) 0 -14.870151 2.763813 -4.536585 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=90) 0 -15.578941 1.156407 -4.317782 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=90) 0 -14.050259 -0.372009 -8.461467 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=90) 0 -12.824223 -0.418364 -8.427329 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=91) 0 -14.789459 -1.470800 -8.617096 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=91) 0 -15.783202 -1.372709 -8.767804 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=91) 0 -14.209790 -2.801785 -8.755075 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=91) 0 -13.431769 -2.921252 -8.004612 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=91) 0 -15.318952 -3.829759 -8.488640 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=91) 0 -14.874531 -4.801967 -8.297224 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=91) 0 -15.892651 -3.548189 -7.605809 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=91) 0 -15.991370 -3.899826 -9.344725 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=91) 0 -13.518818 -2.960146 -10.118898 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=91) 0 -12.351202 -3.344421 -10.188844 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=92) 0 -14.181465 -2.521387 -11.193132 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=92) 0 -15.141109 -2.214079 -11.066872 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=92) 0 -13.622961 -2.520046 -12.550374 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=92) 0 -13.173002 -3.497823 -12.721384 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=92) 0 -14.758808 -2.336525 -13.576498 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=92) 0 -15.235542 -1.371416 -13.404483 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=92) 0 -14.329860 -2.326708 -14.579493 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=92) 0 -15.839026 -3.436612 -13.525526 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=92) 0 -16.363716 -3.399877 -12.571351 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=92) 0 -16.570928 -3.244331 -14.309926 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=92) 0 -15.263592 -4.837520 -13.713569 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=92) 0 -14.894210 -5.518295 -12.765299 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=92) 0 -15.102663 -5.317218 -14.925522 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=92) 0 -14.653796 -6.225831 -15.022997 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=92) 0 -15.419037 -4.799559 -15.725182 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=92) 0 -12.469832 -1.511634 -12.757172 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=92) 0 -11.862213 -1.492904 -13.829830 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=93) 0 -12.112656 -0.710431 -11.742570 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=93) 0 -12.654305 -0.747366 -10.890531 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=93) 0 -10.900561 0.122863 -11.736356 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=93) 0 -10.672190 0.383758 -12.766240 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=93) 0 -11.160188 1.431393 -10.959130 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=93) 0 -12.223924 1.515102 -10.758034 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=93) 0 -10.666186 1.398843 -9.986743 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=93) 0 -10.742505 2.706487 -11.718641 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=93) 0 -10.819903 2.557207 -12.794348 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=93) 0 -11.439583 3.502279 -11.463700 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=93) 0 -9.347452 3.204914 -11.360687 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=93) 0 -9.180044 3.999600 -10.444565 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=93) 0 -8.317450 2.808181 -12.069847 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=93) 0 -7.384163 3.065006 -11.768853 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=93) 0 -8.455442 2.169084 -12.848753 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=93) 0 -9.659512 -0.614404 -11.206532 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=93) 0 -8.547908 -0.201204 -11.525763 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=94) 0 -9.819478 -1.710244 -10.451626 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=94) 0 -10.761883 -2.017009 -10.237876 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=94) 0 -8.714132 -2.390669 -9.752911 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=94) 0 -7.774433 -2.016434 -10.156984 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=94) 0 -8.733877 -2.013097 -8.261650 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=94) 0 -9.655766 -2.390225 -7.816765 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=94) 0 -7.897127 -2.498570 -7.758255 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=94) 0 -8.616421 -0.518847 -8.014951 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=94) 0 -7.494776 0.186761 -8.496296 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=94) 0 -6.705030 -0.340094 -9.012856 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=94) 0 -7.417876 1.584556 -8.355620 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=94) 0 -6.575307 2.118638 -8.761290 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=94) 0 -8.452321 2.279308 -7.697762 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=94) 0 -8.417812 3.630852 -7.574559 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=94) 0 -7.726671 4.025661 -8.121117 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=94) 0 -9.549178 1.568729 -7.179628 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=94) 0 -10.319813 2.115871 -6.669436 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=94) 0 -9.642437 0.175451 -7.347683 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=94) 0 -10.512019 -0.352620 -6.984326 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=94) 0 -8.636543 -3.907761 -9.994739 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=94) 0 -7.978887 -4.618791 -9.240104 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=95) 0 -9.262313 -4.409605 -11.062861 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=95) 0 -9.846668 -3.791648 -11.602928 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=95) 0 -9.057449 -5.774173 -11.557483 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=95) 0 -9.470981 -5.861943 -12.562562 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=95) 0 -7.988498 -5.967600 -11.613928 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=95) 0 -9.681356 -6.849587 -10.668519 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=95) 0 -9.044882 -7.374246 -9.750471 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=96) 0 -10.936166 -7.190232 -10.959968 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=96) 0 -11.381264 -6.710465 -11.737667 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=96) 0 -11.699272 -8.231230 -10.263172 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=96) 0 -11.429950 -8.205564 -9.208226 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=96) 0 -13.215676 -7.972527 -10.353118 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=96) 0 -13.524179 -8.004755 -11.395465 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=96) 0 -14.026203 -9.001548 -9.555225 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=96) 0 -15.090960 -8.786024 -9.647250 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=96) 0 -13.855249 -10.003817 -9.941968 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=96) 0 -13.745052 -8.970843 -8.502279 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=96) 0 -13.583963 -6.595848 -9.804188 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=96) 0 -14.663167 -6.459689 -9.871830 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=96) 0 -13.256659 -6.504156 -8.768202 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=96) 0 -13.109935 -5.821208 -10.403202 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=96) 0 -11.317171 -9.601255 -10.823439 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=96) 0 -11.849798 -10.055656 -11.843887 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=97) 0 -10.408209 -10.291105 -10.134215 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=97) 0 -10.057875 -9.851839 -9.288951 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=97) 0 -9.997449 -11.678435 -10.395664 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=97) 0 -9.998487 -11.838548 -11.472755 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=97) 0 -8.551239 -11.894109 -9.936821 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=97) 0 -8.272572 -12.903891 -10.229129 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=97) 0 -7.907610 -11.210339 -10.489556 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=97) 0 -8.283842 -11.693620 -8.430686 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=97) 0 -8.072501 -10.639801 -8.244992 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=97) 0 -9.154580 -11.970859 -7.838427 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=97) 0 -7.098815 -12.547962 -7.960126 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=97) 0 -6.860974 -12.286038 -6.930628 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=97) 0 -7.385426 -13.598158 -7.962765 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=97) 0 -5.906466 -12.327140 -8.793879 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=97) 0 -5.468255 -11.415571 -8.701957 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=97) 0 -5.407951 -13.121977 -9.720630 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=97) 0 -5.924776 -14.284197 -10.011667 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=97) 0 -6.769211 -14.599254 -9.550276 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=97) 0 -5.542419 -14.852815 -10.755294 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=97) 0 -4.372892 -12.726237 -10.396438 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=97) 0 -4.047442 -11.770625 -10.296096 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=97) 0 -4.013734 -13.306565 -11.145643 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=97) 0 -10.991623 -12.701031 -9.834001 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=97) 0 -10.626984 -13.613606 -9.089797 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=98) 0 -12.265589 -12.525506 -10.170335 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=98) 0 -12.483893 -11.757726 -10.789211 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=98) 0 -13.366697 -13.231602 -9.525829 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=98) 0 -14.231678 -13.250589 -10.185537 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=98) 0 -13.069274 -14.259763 -9.330206 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=98) 0 -13.781446 -12.615956 -8.190672 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=98) 0 -13.231710 -11.610250 -7.738326 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=99) 0 -14.763010 -13.239820 -7.549704 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=99) 0 -15.125976 -14.090933 -7.966552 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=99) 0 -15.384066 -12.769408 -6.320335 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=99) 0 -14.950812 -11.801317 -6.086486 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=99) 0 -16.880905 -12.508149 -6.535242 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=99) 0 -17.426541 -13.442413 -6.422884 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=99) 0 -17.226970 -11.847905 -5.742023 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=99) 0 -17.268938 -11.885672 -7.866203 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=99) 0 -17.393869 -10.488627 -7.994193 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=99) 0 -17.145546 -9.841793 -7.163953 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=99) 0 -17.883744 -9.936027 -9.194489 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=99) 0 -17.997548 -8.870071 -9.291158 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=99) 0 -18.264737 -10.779291 -10.261014 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=99) 0 -18.769830 -10.273388 -11.413346 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=99) 0 -18.755247 -9.297293 -11.404935 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=99) 0 -18.084484 -12.167718 -10.150016 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=99) 0 -18.373185 -12.806074 -10.973500 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=99) 0 -17.570643 -12.715879 -8.963476 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=99) 0 -17.474594 -13.787277 -8.879533 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=99) 0 -15.123325 -13.768284 -5.170815 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=99) 0 -15.240552 -14.984107 -5.371168 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=100) 0 -14.743143 -13.300299 -3.970579 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=100) 0 -14.631428 -14.117221 -2.774600 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=100) 0 -14.087774 -15.040384 -2.973541 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=100) 0 -15.630342 -14.344654 -2.414261 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=100) 0 -13.889343 -13.268141 -1.743611 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=100) 0 -12.821449 -13.464814 -1.815199 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=100) 0 -14.249753 -13.457138 -0.732797 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=100) 0 -14.166017 -11.833387 -2.187736 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=100) 0 -13.379105 -11.146975 -1.871926 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=100) 0 -15.129322 -11.507937 -1.796017 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=100) 0 -14.247699 -11.954200 -3.709347 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=100) 0 -14.953036 -11.208181 -4.071398 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=100) 0 -12.876341 -11.749150 -4.371870 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=100) 0 -12.054109 -12.669870 -4.431615 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=101) 0 -12.611542 -10.533977 -4.837240 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=101) 0 -13.346168 -9.834711 -4.756576 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=101) 0 -11.241373 -10.041772 -5.032426 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=101) 0 -10.558819 -10.877409 -5.179256 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=101) 0 -11.135647 -9.159977 -6.282260 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=101) 0 -11.992833 -8.497971 -6.346059 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=101) 0 -9.855005 -8.332606 -6.390480 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=101) 0 -8.984733 -8.987130 -6.368450 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=101) 0 -9.865199 -7.777861 -7.326754 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=101) 0 -9.793153 -7.613326 -5.575644 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=101) 0 -11.135224 -10.002434 -7.402309 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=101) 0 -11.949486 -10.545125 -7.384945 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=101) 0 -10.820671 -9.323717 -3.757453 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=101) 0 -11.639150 -8.665104 -3.120343 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=102) 0 -9.556952 -9.468760 -3.370451 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=102) 0 -8.934808 -10.013862 -3.956729 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=102) 0 -8.967023 -8.808317 -2.209214 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=102) 0 -9.630371 -8.006239 -1.906024 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=102) 0 -8.806081 -9.755659 -0.997448 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=102) 0 -7.960691 -10.411233 -1.189981 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=102) 0 -8.495680 -8.896746 0.239739 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=102) 0 -8.310180 -9.530531 1.107651 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=102) 0 -7.612775 -8.279543 0.083948 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=102) 0 -9.347218 -8.250257 0.448147 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=102) 0 -10.030311 -10.635243 -0.647456 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=102) 0 -9.996906 -10.888814 0.413246 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=102) 0 -10.950352 -10.076926 -0.823346 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=102) 0 -10.076491 -11.969143 -1.403234 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=102) 0 -10.302296 -11.809765 -2.453661 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=102) 0 -9.120339 -12.484897 -1.309919 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=102) 0 -10.852507 -12.598438 -0.971789 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=102) 0 -7.620131 -8.207516 -2.622970 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=102) 0 -6.768574 -8.920980 -3.160094 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=103) 0 -7.414634 -6.913823 -2.359702 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=103) 0 -8.176231 -6.403276 -1.918081 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=103) 0 -6.170456 -6.180083 -2.659434 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=103) 0 -5.368199 -6.895691 -2.840221 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=103) 0 -6.349056 -5.325756 -3.926960 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=103) 0 -7.267534 -4.746837 -3.853296 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=103) 0 -5.513156 -4.627261 -4.005981 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=103) 0 -6.364724 -6.185764 -5.197125 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=103) 0 -5.411766 -6.704911 -5.256371 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=103) 0 -7.168859 -6.920251 -5.151792 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=103) 0 -6.534965 -5.336373 -6.459718 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=103) 0 -7.589814 -5.108334 -6.620989 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=103) 0 -5.993738 -4.398302 -6.335108 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=103) 0 -5.941680 -6.050519 -7.678328 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=103) 0 -5.891763 -5.337665 -8.506723 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=103) 0 -4.919939 -6.349797 -7.435326 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=103) 0 -6.714582 -7.238421 -8.110660 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=103) 0 -7.631427 -6.988386 -8.474300 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=103) 0 -6.216137 -7.709392 -8.857045 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=103) 0 -6.786029 -7.935571 -7.368270 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=103) 0 -5.707337 -5.316100 -1.488137 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=103) 0 -6.499108 -4.968927 -0.620539 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=104) 0 -4.435104 -4.945424 -1.477086 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=104) 0 -3.859101 -5.258082 -2.251090 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=104) 0 -3.813154 -4.018077 -0.534812 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=104) 0 -4.511148 -3.792632 0.268889 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=104) 0 -2.575086 -4.692558 0.062918 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=104) 0 -2.885247 -5.635417 0.504584 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=104) 0 -1.892384 -4.936305 -0.748407 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=104) 0 -1.827316 -3.885883 1.110408 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=104) 0 -2.472544 -3.484816 2.296492 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=104) 0 -3.508638 -3.740372 2.462883 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=104) 0 -1.777308 -2.738919 3.265083 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=104) 0 -2.285511 -2.422537 4.163501 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=104) 0 -0.427167 -2.405859 3.060391 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=104) 0 0.113395 -1.832597 3.799453 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=104) 0 0.222312 -2.816458 1.884549 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=104) 0 1.265105 -2.581764 1.728019 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=104) 0 -0.475487 -3.547743 0.908336 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=104) 0 0.038433 -3.854492 0.006370 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=104) 0 -3.458916 -2.699063 -1.220797 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=104) 0 -3.177304 -2.687006 -2.414561 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=105) 0 -3.476904 -1.609392 -0.453730 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=105) 0 -3.772061 -1.719209 0.511273 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=105) 0 -3.131129 -0.250960 -0.866050 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=105) 0 -2.424116 -0.291110 -1.697627 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=105) 0 -4.397490 0.487891 -1.321027 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=105) 0 -5.138388 0.423761 -0.522616 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=105) 0 -4.146728 1.540819 -1.446941 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=105) 0 -5.034744 0.008133 -2.613709 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=105) 0 -4.756365 0.671211 -3.824237 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=105) 0 -4.048434 1.487546 -3.841198 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=105) 0 -5.405087 0.279761 -5.009097 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=105) 0 -5.197360 0.793101 -5.937709 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=105) 0 -6.317779 -0.789757 -4.991303 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=105) 0 -6.813297 -1.089323 -5.903300 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=105) 0 -6.580324 -1.471120 -3.790417 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=105) 0 -7.279198 -2.294197 -3.776969 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=105) 0 -5.946009 -1.065711 -2.602542 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=105) 0 -6.152637 -1.583650 -1.678263 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=105) 0 -2.479816 0.513441 0.302916 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=105) 0 -2.700782 0.198166 1.478724 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=106) 0 -1.696836 1.551702 -0.017011 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=106) 0 -1.621916 1.808421 -0.993575 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=106) 0 -0.964649 2.392055 0.949368 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=106) 0 -1.409085 2.280114 1.936396 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=106) 0 0.520532 1.988534 1.000637 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=106) 0 0.985578 2.300077 0.062716 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=106) 0 0.982745 2.541598 1.817740 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=106) 0 0.842262 0.505956 1.214774 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=106) 0 0.521952 0.198441 2.209656 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=106) 0 0.318796 -0.096799 0.472860 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=106) 0 2.347767 0.253995 1.040012 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=106) 0 2.499526 -0.821028 1.029079 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=106) 0 2.665190 0.643282 0.070342 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=106) 0 3.170661 0.864672 2.102800 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=106) 0 3.434995 1.837674 2.009849 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=106) 0 3.587865 0.290848 3.212987 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=106) 0 3.495015 -0.983064 3.431993 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=106) 0 3.477047 -1.603254 2.621747 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=106) 0 3.899019 -1.360031 4.281370 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=106) 0 4.120127 1.032735 4.130339 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=106) 0 4.357462 1.991144 3.878719 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=106) 0 4.363864 0.669364 5.046479 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=106) 0 -1.023092 3.871095 0.561917 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=106) 0 -1.231271 4.171399 -0.605527 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=107) 0 -0.700806 4.779800 1.485068 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=107) 0 -0.621116 4.432230 2.434498 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=107) 0 -0.210028 6.147154 1.211500 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=107) 0 -0.201965 6.671254 2.167839 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=107) 0 1.249327 6.059499 0.724256 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=107) 0 1.252554 5.676357 -0.296502 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=107) 0 1.698500 7.052717 0.712929 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=107) 0 2.118652 5.173514 1.583239 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=107) 0 2.161003 5.282845 2.801059 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=107) 0 2.822565 4.247707 0.994287 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=107) 0 3.526416 3.806945 1.578227 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=107) 0 2.916903 4.216113 -0.013978 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=107) 0 -1.055975 7.034605 0.263931 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=107) 0 -0.507276 7.913122 -0.411814 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=108) 0 -2.366445 6.799910 0.140226 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=108) 0 -2.764837 6.029427 0.666896 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=108) 0 -3.193676 7.476110 -0.875321 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=108) 0 -4.242269 7.368498 -0.633706 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=108) 0 -2.981487 8.543660 -0.848817 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=108) 0 -2.964375 6.990015 -2.318512 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=108) 0 -3.504712 7.576583 -3.252743 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=109) 0 -2.138744 5.962219 -2.513801 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=109) 0 -1.806795 5.460637 -1.697719 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=109) 0 -1.513412 5.580491 -3.777592 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=109) 0 -1.510306 6.450601 -4.435280 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=109) 0 -0.048564 5.197022 -3.502253 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=109) 0 0.408590 5.963390 -2.877351 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=109) 0 0.000165 4.252177 -2.959149 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=109) 0 0.747786 5.087802 -4.797849 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=109) 0 0.969490 6.147722 -5.434799 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=109) 0 1.112938 3.962586 -5.204434 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=109) 0 -2.276972 4.458499 -4.491481 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=109) 0 -2.088202 3.267997 -4.233421 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=110) 0 -3.131477 4.832598 -5.443029 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=110) 0 -3.277531 5.821253 -5.610456 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=110) 0 -3.884281 3.859124 -6.252629 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=110) 0 -4.282222 3.106125 -5.573957 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=110) 0 -5.090192 4.497801 -6.947499 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=110) 0 -5.633653 3.715228 -7.473251 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=110) 0 -6.041307 5.169666 -5.957805 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=110) 0 -5.543894 5.986691 -5.434488 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=110) 0 -6.902827 5.568093 -6.487757 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=110) 0 -6.392829 4.434273 -5.237605 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=110) 0 -4.693990 5.475045 -7.879667 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=110) 0 -5.414202 5.511305 -8.536086 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=110) 0 -3.014312 3.094677 -7.260710 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=110) 0 -3.466626 2.085251 -7.800529 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=111) 0 -1.757019 3.512006 -7.461009 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=111) 0 -1.477241 4.381647 -7.028844 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=111) 0 -0.716337 2.778838 -8.190121 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=111) 0 -1.173986 2.324079 -9.068780 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=111) 0 0.330146 3.783606 -8.684949 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=111) 0 0.810752 4.275987 -7.840406 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=111) 0 1.097143 3.260909 -9.255653 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=111) 0 -0.140452 4.523651 -9.331874 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=111) 0 -0.071969 1.623328 -7.387039 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=111) 0 0.804380 0.927697 -7.903233 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=112) 0 -0.531508 1.358138 -6.156994 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=112) 0 -1.191732 2.009182 -5.749705 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=112) 0 -0.086651 0.235509 -5.313062 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=112) 0 0.783638 -0.230686 -5.773224 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=112) 0 0.381849 0.798814 -3.959587 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=112) 0 -0.424444 1.365928 -3.492487 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=112) 0 0.655910 -0.024198 -3.297944 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=112) 0 1.524233 1.622082 -4.115467 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=112) 0 1.255041 2.471990 -4.544591 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=112) 0 -1.119576 -0.909767 -5.126240 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=112) 0 -1.246601 -1.375295 -3.996873 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=113) 0 -1.873013 -1.388979 -6.148029 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=113) 0 -1.759441 -1.049221 -7.563343 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=113) 0 -0.753029 -1.233098 -7.938153 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=113) 0 -2.042313 -0.011149 -7.714467 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=113) 0 -2.773153 -1.912712 -8.309771 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=113) 0 -2.330046 -2.873773 -8.573901 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=113) 0 -3.155992 -1.409863 -9.195942 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=113) 0 -3.851696 -2.097909 -7.249289 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=113) 0 -4.521317 -2.924776 -7.483463 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=113) 0 -4.422197 -1.174607 -7.156383 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=113) 0 -3.000046 -2.326020 -5.989640 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=113) 0 -3.582307 -2.053353 -5.107960 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=113) 0 -2.563805 -3.802435 -5.830208 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=113) 0 -2.973541 -4.672725 -6.608016 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=114) 0 -1.711608 -4.110194 -4.847630 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=114) 0 -1.469858 -3.359304 -4.204679 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=114) 0 -1.145342 -5.455570 -4.623779 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=114) 0 -0.604219 -5.755096 -5.519949 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=114) 0 -0.154997 -5.378014 -3.449000 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=114) 0 0.645199 -4.683097 -3.707419 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=114) 0 -0.678528 -4.949884 -2.595948 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=114) 0 0.464396 -6.715961 -2.993356 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=114) 0 0.934508 -6.536083 -2.026457 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=114) 0 -0.312905 -7.453891 -2.809954 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=114) 0 1.544442 -7.279960 -3.939562 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=114) 0 1.936349 -6.474350 -4.562757 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=114) 0 2.374243 -7.644618 -3.332013 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=114) 0 1.094349 -8.426625 -4.848893 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=114) 0 0.233393 -8.107545 -5.435980 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=114) 0 1.911123 -8.653147 -5.539622 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=114) 0 0.759497 -9.643984 -4.079016 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=114) 0 -0.103475 -9.534455 -3.554467 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=114) 0 0.619362 -10.453736 -4.681598 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=114) 0 1.482504 -9.892839 -3.407363 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=114) 0 -2.244365 -6.486967 -4.353192 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=114) 0 -3.049607 -6.309776 -3.446489 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=115) 0 -2.253234 -7.601569 -5.079204 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=115) 0 -1.631084 -7.665416 -5.876650 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=115) 0 -3.163682 -8.722582 -4.805910 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=115) 0 -4.185842 -8.350920 -4.831193 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=115) 0 -3.007547 -9.784933 -5.906768 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=115) 0 -2.757175 -9.303971 -6.853597 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=115) 0 -2.184414 -10.451423 -5.647643 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=115) 0 -4.283561 -10.608523 -6.110032 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=115) 0 -4.028269 -11.510351 -6.669883 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=115) 0 -4.685609 -10.918294 -5.143125 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=115) 0 -5.330666 -9.818221 -6.902053 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=115) 0 -5.176688 -9.678524 -8.136282 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=115) 0 -6.338558 -9.361904 -6.318525 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=115) 0 -2.922390 -9.329998 -3.408817 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=115) 0 -1.779183 -9.590385 -3.032028 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=116) 0 -3.982399 -9.578067 -2.638889 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=116) 0 -4.908459 -9.359204 -2.993259 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=116) 0 -3.908928 -10.295899 -1.361880 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=116) 0 -2.907852 -10.197141 -0.939323 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=116) 0 -4.895855 -9.678940 -0.363543 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=116) 0 -4.508832 -8.705668 -0.067656 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=116) 0 -5.836903 -9.506883 -0.873803 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=116) 0 -5.201962 -10.512494 0.873639 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=116) 0 -4.527977 -10.264241 2.082282 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=116) 0 -3.782428 -9.485275 2.126545 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=116) 0 -4.837865 -11.013175 3.234904 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=116) 0 -4.332269 -10.812774 4.163198 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=116) 0 -5.829570 -12.014173 3.181841 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=116) 0 -6.141729 -12.738813 4.284377 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=116) 0 -5.529858 -12.572245 5.011843 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=116) 0 -6.498517 -12.271660 1.972168 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=116) 0 -7.245579 -13.049463 1.940553 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=116) 0 -6.178000 -11.530441 0.821248 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=116) 0 -6.678470 -11.759070 -0.107480 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=116) 0 -4.194811 -11.783785 -1.560238 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=116) 0 -5.103240 -12.160646 -2.305771 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=117) 0 -3.480647 -12.643504 -0.832302 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=117) 0 -2.736123 -12.280510 -0.251998 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=117) 0 -3.899401 -14.029105 -0.576294 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=117) 0 -4.984204 -14.045141 -0.496080 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=117) 0 -3.496829 -14.971875 -1.725303 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=117) 0 -2.411272 -14.980163 -1.818810 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=117) 0 -3.999656 -16.403120 -1.535203 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=117) 0 -5.089309 -16.420985 -1.501201 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=117) 0 -3.645494 -17.032402 -2.348888 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=117) 0 -3.604828 -16.821385 -0.615667 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=117) 0 -4.069044 -14.530270 -2.944860 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=117) 0 -4.563953 -13.710475 -2.737107 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=117) 0 -3.322956 -14.524136 0.754295 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=117) 0 -2.172335 -14.242449 1.088401 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=118) 0 -4.120044 -15.279143 1.506477 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=118) 0 -5.067232 -15.415245 1.163229 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=118) 0 -3.734929 -16.062002 2.680679 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=118) 0 -2.749718 -16.502375 2.521677 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=118) 0 -3.658485 -15.123430 3.895721 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=118) 0 -4.637612 -14.696309 4.088993 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=118) 0 -3.331474 -15.680097 4.773056 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=118) 0 -2.950522 -14.316040 3.705431 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=118) 0 -4.752486 -17.216335 2.841690 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=118) 0 -4.979722 -17.974396 1.892377 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=119) 0 -5.400644 -17.324158 4.004767 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=119) 0 -5.082323 -16.723632 4.749076 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=119) 0 -6.785535 -17.793575 4.113202 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=119) 0 -6.986569 -18.565382 3.371913 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=119) 0 -6.942405 -18.229796 5.096353 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=119) 0 -7.768444 -16.633373 3.889949 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=119) 0 -7.566711 -15.830986 2.975715 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=120) 0 -8.823736 -16.520147 4.705438 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=120) 0 -8.933790 -17.226056 5.428668 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=120) 0 -9.771326 -15.380278 4.709687 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=120) 0 -9.252083 -14.488100 4.354532 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=120) 0 -10.957285 -15.670656 3.770947 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=120) 0 -11.390409 -16.638445 4.016440 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=120) 0 -11.730956 -14.919380 3.929353 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=120) 0 -10.566245 -15.627143 2.290102 L H-H1 57 0.0000 H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=120) 0 -10.071745 -14.677357 2.079436 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=120) 0 -9.889009 -16.447148 2.055015 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=120) 0 -10.299844 -14.984177 6.095090 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=120) 0 -11.110218 -14.067300 6.181012 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=121) 0 -9.875687 -15.648997 7.165759 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=121) 0 -9.160143 -16.358053 7.051060 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=121) 0 -10.264405 -15.300821 8.533264 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=121) 0 -11.337669 -15.123531 8.535606 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=121) 0 -9.964182 -16.482614 9.475022 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=121) 0 -9.999666 -17.418648 8.915515 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=121) 0 -8.969049 -16.370125 9.908800 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=121) 0 -11.023146 -16.546484 10.579805 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=121) 0 -11.041570 -15.592351 11.099624 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=121) 0 -11.995161 -16.712904 10.116498 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=121) 0 -10.796668 -17.638031 11.618620 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=121) 0 -10.196353 -18.692611 11.303642 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=121) 0 -11.248067 -17.447137 12.772284 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=121) 0 -9.585052 -14.000741 8.996547 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=121) 0 -8.568458 -13.589991 8.435458 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=122) 0 -10.099831 -13.347608 10.037754 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=122) 0 -10.985135 -13.666480 10.429001 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=122) 0 -9.558762 -12.077271 10.515355 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=122) 0 -9.679882 -11.351091 9.714639 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=122) 0 -10.394030 -11.614429 11.701479 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=122) 0 -10.334571 -12.341986 12.511314 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=122) 0 -10.033861 -10.648358 12.053661 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=122) 0 -11.420141 -11.520054 11.358906 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=122) 0 -8.060972 -12.115662 10.862050 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=122) 0 -7.358314 -11.152878 10.572177 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=123) 0 -7.534961 -13.215344 11.404643 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=123) 0 -8.172567 -13.942049 11.711602 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=123) 0 -6.088630 -13.383272 11.600627 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=123) 0 -5.689141 -12.413142 11.895992 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=123) 0 -5.779560 -14.319292 12.775807 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=123) 0 -4.735280 -14.175840 13.059280 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=123) 0 -6.391287 -14.035294 13.634038 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=123) 0 -5.998609 -15.795734 12.461168 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=123) 0 -7.160105 -16.262574 12.541410 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=123) 0 -5.005142 -16.521894 12.222683 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=123) 0 -5.332459 -13.771073 10.316739 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=123) 0 -4.159145 -13.438337 10.204085 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=124) 0 -5.980590 -14.359253 9.304209 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=124) 0 -6.977863 -14.510443 9.395552 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=124) 0 -5.376276 -14.528797 7.968946 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=124) 0 -4.390632 -14.980380 8.082406 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=124) 0 -6.230240 -15.431337 7.061930 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=124) 0 -7.155664 -14.918470 6.805397 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=124) 0 -5.683964 -15.577829 6.131665 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=124) 0 -6.564009 -16.807757 7.627831 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=124) 0 -5.744731 -17.378530 8.377789 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=124) 0 -7.619901 -17.360010 7.245324 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=124) 0 -5.215349 -13.174872 7.258835 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=124) 0 -4.261328 -12.949711 6.508573 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=125) 0 -6.162895 -12.266603 7.491485 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=125) 0 -6.963727 -12.581988 8.034983 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=125) 0 -6.158806 -10.873916 7.037416 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=125) 0 -5.887622 -10.823230 5.985331 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=125) 0 -7.593698 -10.311533 7.191628 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=125) 0 -7.957464 -10.563401 8.185966 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=125) 0 -7.623280 -8.781511 7.067185 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=125) 0 -7.107433 -8.322180 7.909806 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=125) 0 -7.143010 -8.476943 6.142053 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=125) 0 -8.650422 -8.422763 7.067409 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=125) 0 -8.544631 -10.962096 6.157914 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=125) 0 -8.371487 -10.522601 5.174390 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=125) 0 -8.337745 -12.029793 6.082957 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=125) 0 -10.028814 -10.825206 6.522469 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=125) 0 -10.326557 -9.779090 6.559190 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=125) 0 -10.628185 -11.337583 5.771099 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=125) 0 -10.220235 -11.289191 7.489208 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=125) 0 -5.096287 -10.082128 7.810346 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=125) 0 -4.221663 -9.449876 7.213777 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=126) 0 -5.127676 -10.152526 9.142631 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=126) 0 -5.877369 -10.687061 9.573721 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=126) 0 -4.272308 -9.340660 10.012346 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=126) 0 -4.231108 -8.340375 9.582261 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=126) 0 -4.900247 -9.179311 11.411967 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=126) 0 -5.175856 -10.154434 11.811134 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=126) 0 -3.954455 -8.498626 12.403127 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=126) 0 -3.590996 -7.565105 11.976376 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=126) 0 -4.475784 -8.288490 13.338322 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=126) 0 -3.116992 -9.158820 12.624716 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=126) 0 -6.146571 -8.284982 11.308682 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=126) 0 -6.618170 -8.184357 12.284063 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=126) 0 -5.864014 -7.299850 10.945789 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=126) 0 -6.873223 -8.709585 10.619215 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=126) 0 -2.822413 -9.828771 10.022796 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=126) 0 -1.944852 -8.987591 9.864455 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=127) 0 -2.521118 -11.133175 10.081762 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=127) 0 -3.266573 -11.817396 10.176788 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=127) 0 -1.132718 -11.626645 9.993776 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=127) 0 -0.557743 -11.241031 10.837845 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=127) 0 -1.093377 -13.164967 10.012847 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=127) 0 -1.802276 -13.553011 9.286560 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=127) 0 -0.100418 -13.495197 9.710372 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=127) 0 -1.372963 -13.810698 11.351288 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=127) 0 -1.457948 -13.170704 12.390404 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=127) 0 -1.441527 -15.116649 11.377225 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=127) 0 -1.742061 -15.575762 12.228634 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=127) 0 -1.404013 -15.635877 10.511812 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=127) 0 -0.435874 -11.157567 8.708962 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=127) 0 0.742578 -10.810473 8.735467 L N-N--0.415700(PDBName=N,ResName=TRP,ResNum=128) 0 -1.164210 -11.119968 7.590809 L H-H-0.271900(PDBName=H,ResName=TRP,ResNum=128) 0 -2.125578 -11.430013 7.637618 L C-CT--0.027500(PDBName=CA,ResName=TRP,ResNum=128) 0 -0.644652 -10.664674 6.302971 L H-H1-0.112300(PDBName=HA,ResName=TRP,ResNum=128) 0 0.287305 -11.190621 6.092058 L C-CT--0.005000(PDBName=CB,ResName=TRP,ResNum=128) 0 -1.666509 -11.041472 5.229830 L H-HC-0.033900(PDBName=HB2,ResName=TRP,ResNum=128) 0 -1.966977 -12.078667 5.378340 L H-HC-0.033900(PDBName=HB3,ResName=TRP,ResNum=128) 0 -2.549832 -10.419819 5.364378 L C-C*--0.141500(PDBName=CG,ResName=TRP,ResNum=128) 0 -1.202277 -10.910105 3.817241 L C-CW--0.163800(PDBName=CD1,ResName=TRP,ResNum=128) 0 -0.701336 -11.912687 3.064333 L H-H4-0.206200(PDBName=HD1,ResName=TRP,ResNum=128) 0 -0.562767 -12.934022 3.398828 L N-NA--0.341800(PDBName=NE1,ResName=TRP,ResNum=128) 0 -0.387108 -11.439612 1.806771 L H-H-0.341200(PDBName=HE1,ResName=TRP,ResNum=128) 0 0.072821 -12.016754 1.106085 L C-CN-0.138000(PDBName=CE2,ResName=TRP,ResNum=128) 0 -0.695429 -10.104062 1.675178 L C-CA--0.260100(PDBName=CZ2,ResName=TRP,ResNum=128) 0 -0.587681 -9.192674 0.615783 L H-HA-0.157200(PDBName=HZ2,ResName=TRP,ResNum=128) 0 -0.195834 -9.510325 -0.340811 L C-CA--0.113400(PDBName=CH2,ResName=TRP,ResNum=128) 0 -0.987475 -7.861774 0.821025 L H-HA-0.141700(PDBName=HH2,ResName=TRP,ResNum=128) 0 -0.903675 -7.145268 0.015098 L C-CA--0.197200(PDBName=CZ3,ResName=TRP,ResNum=128) 0 -1.480433 -7.463642 2.078589 L H-HA-0.144700(PDBName=HZ3,ResName=TRP,ResNum=128) 0 -1.776302 -6.439086 2.244183 L C-CA--0.238700(PDBName=CE3,ResName=TRP,ResNum=128) 0 -1.583025 -8.385005 3.134831 L H-HA-0.170000(PDBName=HE3,ResName=TRP,ResNum=128) 0 -1.974763 -8.067854 4.088717 L C-CB-0.124300(PDBName=CD2,ResName=TRP,ResNum=128) 0 -1.198901 -9.730664 2.958316 L C-C-0.597300(PDBName=C,ResName=TRP,ResNum=128) 0 -0.345299 -9.156639 6.309233 L O-O--0.567900(PDBName=O,ResName=TRP,ResNum=128) 0 0.695322 -8.729774 5.807725 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=129) 0 -1.208561 -8.348092 6.935423 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=129) 0 -2.051109 -8.765372 7.317843 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=129) 0 -0.999767 -6.906871 7.130502 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=129) 0 -0.718759 -6.462289 6.175387 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=129) 0 -2.326131 -6.280170 7.606231 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=129) 0 -2.709994 -6.868638 8.439521 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=129) 0 -2.135696 -5.273607 7.980417 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=129) 0 -3.398754 -6.204313 6.499737 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=129) 0 -3.411258 -7.131644 5.928530 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=129) 0 -4.790145 -6.004050 7.101366 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=129) 0 -4.837804 -5.076014 7.664571 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=129) 0 -5.535515 -5.980940 6.307451 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=129) 0 -5.023480 -6.837646 7.762577 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=129) 0 -3.106608 -5.044234 5.544716 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=129) 0 -3.068047 -4.104677 6.093289 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=129) 0 -2.159836 -5.205820 5.031431 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=129) 0 -3.892335 -4.976746 4.796756 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=129) 0 0.156530 -6.615623 8.107173 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=129) 0 0.977522 -5.730598 7.843453 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=130) 0 0.301973 -7.410406 9.175647 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=130) 0 -0.420075 -8.113277 9.318353 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=130) 0 1.384416 -7.351765 10.185854 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=130) 0 1.519350 -6.311384 10.486707 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=130) 0 0.977444 -8.158558 11.443247 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=130) 0 0.891642 -9.204813 11.144358 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=130) 0 1.773665 -8.104211 12.187362 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=130) 0 -0.349502 -7.757734 12.122811 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=130) 0 -1.023307 -7.311021 11.394887 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=130) 0 -0.808895 -8.676549 12.489026 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=130) 0 -0.253902 -6.786646 13.305527 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=130) 0 0.406173 -7.195829 14.072451 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=130) 0 0.129560 -5.826900 12.957573 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=130) 0 -1.675304 -6.626016 13.870661 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=130) 0 -2.328801 -6.249492 13.080967 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=130) 0 -2.045536 -7.610415 14.172884 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=130) 0 -1.753427 -5.715738 15.030039 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=130) 0 -1.189910 -6.054706 15.803147 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=130) 0 -1.417759 -4.790407 14.802415 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=130) 0 -2.720385 -5.660215 15.365157 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=130) 0 2.757102 -7.814854 9.641872 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=130) 0 3.654273 -8.132884 10.420181 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=131) 0 2.921792 -7.868397 8.311338 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=131) 0 2.088796 -7.719294 7.761352 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=131) 0 4.174195 -8.156249 7.577590 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=131) 0 4.996357 -8.223469 8.293593 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=131) 0 4.051143 -9.516083 6.863696 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=131) 0 3.152127 -9.524898 6.249151 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=131) 0 4.913954 -9.681751 6.217092 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=131) 0 3.997382 -10.651037 7.887451 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=131) 0 4.965610 -10.703121 8.381125 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=131) 0 3.234295 -10.433044 8.630633 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=131) 0 3.703090 -12.019043 7.271484 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=131) 0 2.962934 -11.914422 6.477368 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=131) 0 4.623758 -12.418766 6.844532 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=131) 0 3.143809 -12.990264 8.319415 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=131) 0 2.136457 -12.664644 8.590211 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=131) 0 3.065197 -13.984602 7.869801 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=131) 0 3.979508 -13.057148 9.540588 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=131) 0 4.072399 -12.153805 9.998486 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=131) 0 3.588875 -13.713895 10.209842 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=131) 0 4.920627 -13.378106 9.330387 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=131) 0 4.581443 -7.050414 6.593102 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=131) 0 5.599276 -7.189609 5.913596 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=132) 0 3.806049 -5.963354 6.504243 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=132) 0 2.988087 -5.937678 7.094798 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=132) 0 4.076211 -4.828537 5.596958 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=132) 0 5.156849 -4.730088 5.474645 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=132) 0 3.479722 -5.139583 4.211896 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=132) 0 3.742168 -4.333348 3.527068 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=132) 0 3.944654 -6.050695 3.836635 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=132) 0 1.950528 -5.316002 4.203446 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=132) 0 1.648235 -6.074848 4.925823 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=132) 0 1.478559 -4.370399 4.470047 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=132) 0 1.454711 -5.730287 2.816734 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=132) 0 0.366876 -5.673478 2.809582 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=132) 0 1.830548 -5.014406 2.085125 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=132) 0 1.866598 -7.103978 2.470029 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=132) 0 1.611880 -7.855114 3.097580 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=132) 0 2.514901 -7.491287 1.389552 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=132) 0 2.894798 -6.676870 0.458202 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=132) 0 2.763147 -5.667757 0.532422 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=132) 0 3.446351 -7.024264 -0.308813 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=132) 0 2.807453 -8.745154 1.231536 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=132) 0 2.558628 -9.380318 1.982888 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=132) 0 3.303141 -9.069919 0.415176 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=132) 0 3.611552 -3.460449 6.098631 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=132) 0 4.121850 -2.440940 5.649122 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=133) 0 2.620944 -3.412498 6.985608 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=133) 0 2.245730 -4.277737 7.338614 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=133) 0 2.083382 -2.151138 7.524557 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=133) 0 2.031664 -1.426012 6.711257 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=133) 0 0.659716 -2.327659 8.055952 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=133) 0 0.320030 -1.380796 8.475194 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=133) 0 -0.302339 -2.746670 6.943857 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=133) 0 -0.057530 -3.735933 6.562178 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=133) 0 -1.321756 -2.753685 7.324825 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=133) 0 -0.230408 -2.034173 6.126333 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=133) 0 0.619050 -3.315357 9.053716 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=133) 0 0.780186 -4.174552 8.635561 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=133) 0 3.005604 -1.541798 8.583495 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=133) 0 3.781710 -2.248741 9.227289 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=134) 0 2.945589 -0.219255 8.744054 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=134) 0 2.236986 0.288153 8.234808 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=134) 0 4.085405 0.574353 9.214219 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=134) 0 3.724154 1.447023 9.758137 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=134) 0 4.706123 -0.019579 9.885398 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=134) 0 4.938794 1.053176 8.026670 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=134) 0 4.517743 0.889576 6.874439 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=135) 0 6.112334 1.668485 8.259272 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=135) 0 6.779544 1.831334 9.542580 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=135) 0 6.752993 0.912015 10.128575 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=135) 0 6.312523 2.649175 10.093344 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=135) 0 8.228562 2.192054 9.209104 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=135) 0 8.815856 1.284144 9.068584 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=135) 0 8.677734 2.820087 9.978525 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=135) 0 8.101265 2.931108 7.877669 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=135) 0 9.019391 2.874946 7.291339 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=135) 0 7.840238 3.969066 8.070584 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=135) 0 6.923499 2.238460 7.186410 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=135) 0 6.337723 2.982926 6.650367 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=135) 0 7.384166 1.161886 6.199724 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=135) 0 7.870426 0.107374 6.610582 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=136) 0 7.253516 1.433174 4.896677 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=136) 0 6.814759 2.309551 4.627935 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=136) 0 7.622222 0.469811 3.852264 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=136) 0 7.069015 -0.457455 4.016186 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=136) 0 7.242194 1.027277 2.479763 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=136) 0 7.731919 1.986813 2.320402 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=136) 0 7.561205 0.327086 1.705712 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=136) 0 6.166749 1.147625 2.399296 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=136) 0 9.116790 0.119606 3.876557 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=136) 0 9.479237 -1.015054 3.573939 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=137) 0 9.975268 1.069826 4.264264 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=137) 0 9.603880 1.968831 4.522627 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=137) 0 11.358019 0.776872 4.608628 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=137) 0 11.694059 -0.056164 4.000296 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=137) 0 12.258775 1.962282 4.254279 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=137) 0 12.079847 2.792512 4.934245 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=137) 0 13.293884 1.643946 4.350328 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=137) 0 12.084673 2.279729 3.226750 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=137) 0 11.443998 0.357725 6.084600 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=137) 0 11.424446 1.203675 6.982649 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=138) 0 11.535153 -0.947960 6.329844 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=138) 0 11.506972 -1.589213 5.540464 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=138) 0 11.688165 -1.537101 7.666306 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=138) 0 10.826962 -1.265548 8.271449 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=138) 0 11.767061 -3.065824 7.559523 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=138) 0 12.688859 -3.331246 7.046255 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=138) 0 11.726855 -3.771138 8.913744 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=138) 0 10.807974 -3.514202 9.439965 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=138) 0 11.761181 -4.850350 8.762703 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=138) 0 12.587256 -3.480764 9.516892 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=138) 0 10.675880 -3.557214 6.815247 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=138) 0 10.954538 -4.419003 6.443544 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=138) 0 12.961779 -1.019161 8.330252 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=138) 0 14.029829 -1.055529 7.721052 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=139) 0 12.889397 -0.541118 9.571126 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=139) 0 11.995336 -0.522450 10.047244 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=139) 0 14.070454 0.036761 10.235229 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=139) 0 14.619125 0.613457 9.491746 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=139) 0 13.681171 1.027217 11.336246 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=139) 0 13.234642 0.487612 12.170576 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=139) 0 14.891075 1.823298 11.822391 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=139) 0 15.359895 2.341852 10.985342 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=139) 0 14.571658 2.556414 12.558960 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=139) 0 15.616311 1.159910 12.292405 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=139) 0 12.742926 1.957596 10.831718 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=139) 0 11.911565 1.798505 11.321120 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=139) 0 15.007854 -1.059333 10.754935 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=139) 0 14.588585 -1.955076 11.488549 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=140) 0 16.284621 -0.985968 10.372108 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=140) 0 16.533242 -0.213928 9.761415 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=140) 0 17.320729 -1.996434 10.594880 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=140) 0 16.881366 -2.882392 11.050858 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=140) 0 17.921848 -2.399386 9.234066 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=140) 0 18.318974 -1.501099 8.764710 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=140) 0 18.760816 -3.074259 9.414331 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=140) 0 16.966906 -3.063730 8.229714 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=140) 0 16.096454 -2.436708 8.066958 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=140) 0 17.706126 -3.209840 6.899888 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=140) 0 18.658465 -3.709856 7.059094 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=140) 0 17.110585 -3.784721 6.194149 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=140) 0 17.892039 -2.220722 6.483263 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=140) 0 16.508111 -4.439156 8.706398 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=140) 0 15.903067 -4.335004 9.606898 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=140) 0 15.899272 -4.916079 7.939967 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=140) 0 17.374008 -5.060307 8.916647 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=140) 0 18.436292 -1.444431 11.503589 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=140) 0 19.181363 -0.553348 11.076446 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=141) 0 18.612509 -1.956858 12.733072 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=141) 0 17.689564 -2.824382 13.452618 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=141) 0 17.628615 -3.812011 12.993090 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=141) 0 16.704894 -2.358157 13.477903 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=141) 0 18.237383 -2.937609 14.876818 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=141) 0 18.866269 -3.823095 14.962277 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=141) 0 17.437319 -2.961400 15.617480 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=141) 0 19.113205 -1.699150 15.027129 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=141) 0 19.886491 -1.845974 15.781710 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=141) 0 18.490988 -0.839011 15.280339 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=141) 0 19.688475 -1.518870 13.620154 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=141) 0 19.901070 -0.462925 13.463920 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=141) 0 21.002087 -2.295587 13.420482 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=141) 0 22.041851 -1.846447 13.909362 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=142) 0 20.973401 -3.442133 12.730077 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=142) 0 20.086977 -3.751036 12.359010 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=142) 0 22.080520 -4.403102 12.656649 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=142) 0 23.020099 -3.861818 12.773472 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=142) 0 21.959290 -5.375674 13.836167 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=142) 0 22.914422 -5.887548 13.963211 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=142) 0 21.755290 -4.826046 14.757112 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=142) 0 20.867143 -6.414267 13.595249 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=142) 0 21.195713 -7.487393 13.043576 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=142) 0 19.694335 -6.181406 13.959138 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=142) 0 22.155630 -5.182155 11.321681 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=142) 0 21.204027 -5.227634 10.535802 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=143) 0 23.306432 -5.816719 11.072865 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=143) 0 24.048565 -5.765512 11.765565 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=143) 0 23.606124 -6.538065 9.834217 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=143) 0 23.358041 -5.904014 8.984308 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=143) 0 24.678151 -6.731818 9.812818 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=143) 0 22.893656 -7.884429 9.650888 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=143) 0 22.738506 -8.317414 8.505492 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=144) 0 22.435813 -8.541798 10.721259 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=144) 0 22.488958 -8.095097 11.630004 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=144) 0 21.700425 -9.806518 10.636670 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=144) 0 22.169236 -10.432660 9.882313 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=144) 0 21.797322 -10.576984 11.956155 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=144) 0 21.282375 -10.043508 12.753934 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=144) 0 21.334177 -11.557427 11.837606 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=144) 0 22.843216 -10.718629 12.222036 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=144) 0 20.242609 -9.560643 10.228320 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=144) 0 19.699549 -10.280978 9.386496 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=145) 0 19.619369 -8.504906 10.760476 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=145) 0 20.098065 -7.977042 11.489046 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=145) 0 18.315315 -8.042059 10.290724 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=145) 0 17.594731 -8.855571 10.392056 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=145) 0 17.860216 -6.880747 11.182832 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=145) 0 18.564313 -6.049930 11.116402 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=145) 0 16.871408 -6.543284 10.871533 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=145) 0 17.801503 -7.213015 12.219788 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=145) 0 18.373834 -7.652869 8.799523 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=145) 0 17.511000 -8.059324 8.019617 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=146) 0 19.432312 -6.944699 8.382452 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=146) 0 20.089615 -6.613626 9.079114 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=146) 0 19.635414 -6.536013 6.991845 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=146) 0 18.788035 -5.920381 6.690126 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=146) 0 20.907227 -5.681535 6.919851 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=146) 0 21.774540 -6.268674 7.216004 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=146) 0 21.061700 -5.334858 5.898872 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=146) 0 20.811789 -4.820927 7.582302 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=146) 0 19.686715 -7.722761 6.010955 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=146) 0 18.938458 -7.743495 5.033582 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=147) 0 20.500241 -8.749425 6.280217 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=147) 0 21.101324 -8.698197 7.094450 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=147) 0 20.611831 -9.900545 5.368457 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=147) 0 20.788585 -9.515935 4.363278 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=147) 0 21.813210 -10.781825 5.724079 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=147) 0 21.889417 -11.574114 4.978231 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=147) 0 22.720248 -10.180481 5.681964 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=147) 0 21.701833 -11.411066 7.113491 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=147) 0 21.929455 -10.647408 7.847262 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=147) 0 20.692212 -11.773214 7.296498 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=147) 0 22.655780 -12.581798 7.276594 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=147) 0 22.176154 -13.737502 7.264237 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=147) 0 23.875428 -12.351248 7.437985 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=147) 0 19.340240 -10.760497 5.293365 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=147) 0 19.113577 -11.418406 4.278424 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=148) 0 18.503195 -10.766852 6.337805 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=148) 0 18.760962 -10.237862 7.163776 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=148) 0 17.241307 -11.517243 6.344738 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=148) 0 17.369181 -12.405514 5.727093 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=148) 0 16.913582 -12.006197 7.751912 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=148) 0 17.812500 -12.415721 8.214082 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=148) 0 16.541645 -11.177097 8.356171 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=148) 0 15.938690 -13.027496 7.659538 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=148) 0 16.416639 -13.889377 7.652490 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=148) 0 16.083276 -10.712154 5.747695 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=148) 0 15.115756 -11.292651 5.245556 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=149) 0 16.185720 -9.379651 5.713677 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=149) 0 16.944113 -8.934643 6.222561 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=149) 0 15.354884 -8.542033 4.849159 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=149) 0 14.313794 -8.839765 4.977991 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=149) 0 15.476886 -7.076499 5.295640 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=149) 0 15.269154 -7.051763 6.366733 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=149) 0 16.495065 -6.714354 5.151537 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=149) 0 14.481406 -6.146247 4.574090 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=149) 0 13.573389 -6.698466 4.331000 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=149) 0 14.100673 -4.997959 5.499744 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=149) 0 14.966670 -4.382258 5.722270 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=149) 0 13.333269 -4.394646 5.020439 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=149) 0 13.687043 -5.393704 6.426848 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=149) 0 15.059050 -5.539930 3.292075 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=149) 0 15.265091 -6.313939 2.557621 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=149) 0 14.335230 -4.852893 2.855184 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=149) 0 15.976065 -4.994282 3.509807 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=149) 0 15.719878 -8.780711 3.378053 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=149) 0 14.832009 -9.085339 2.581223 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=150) 0 17.015157 -8.775496 3.041077 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=150) 0 17.690770 -8.492218 3.746514 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=150) 0 17.515283 -9.134785 1.698963 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=150) 0 17.056333 -8.464311 0.979971 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=150) 0 19.044304 -8.938528 1.617258 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=150) 0 19.513305 -9.410013 2.478773 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=150) 0 19.672015 -9.536296 0.352221 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=150) 0 19.128195 -9.197139 -0.528739 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=150) 0 20.717030 -9.235508 0.273553 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=150) 0 19.637055 -10.624874 0.394464 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=150) 0 19.373274 -7.441514 1.636924 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=150) 0 18.979462 -6.984233 2.540494 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=150) 0 20.453955 -7.294934 1.622459 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=150) 0 18.931376 -6.948087 0.772062 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=150) 0 17.099730 -10.550456 1.283733 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=150) 0 16.810140 -10.788882 0.114001 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=151) 0 16.991783 -11.486566 2.226642 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=151) 0 17.370252 -11.280964 3.143782 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=151) 0 16.526001 -12.848664 1.950915 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=151) 0 17.072132 -13.210731 1.079903 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=151) 0 16.856695 -13.737390 3.161144 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=151) 0 17.797730 -13.414729 3.588226 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=151) 0 16.094437 -13.605252 3.926880 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=151) 0 16.986629 -15.227940 2.830883 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=151) 0 17.218767 -15.767464 3.749063 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=151) 0 16.034992 -15.602186 2.451118 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=151) 0 18.099909 -15.487112 1.814299 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=151) 0 19.256167 -15.067585 2.052452 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=151) 0 17.809278 -16.076546 0.745454 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=151) 0 15.024381 -12.941798 1.627997 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=151) 0 14.601288 -13.904592 0.985820 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=152) 0 14.203992 -11.975842 2.056292 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=152) 0 14.622352 -11.174358 2.513632 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=152) 0 12.733095 -12.106091 2.073145 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=152) 0 12.524981 -13.116245 2.418277 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=152) 0 12.117189 -11.192463 3.136377 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=152) 0 11.047113 -11.395102 3.205445 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=152) 0 12.566245 -11.428775 4.100632 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=152) 0 12.305500 -9.815405 2.867737 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=152) 0 13.243718 -9.631617 2.652230 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=152) 0 12.029199 -11.983541 0.705570 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=152) 0 10.811195 -12.158445 0.609453 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=153) 0 12.789918 -11.740226 -0.361428 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=153) 0 13.783898 -11.628289 -0.207804 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=153) 0 12.351877 -11.694343 -1.762889 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=153) 0 11.609731 -12.466248 -1.953807 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=153) 0 11.726301 -10.318945 -2.010351 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=153) 0 10.761989 -10.266713 -1.502551 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=153) 0 12.392313 -9.583808 -1.564133 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=153) 0 11.562645 -9.956603 -3.367661 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=153) 0 12.102988 -9.142170 -3.461815 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=153) 0 13.563829 -11.932076 -2.670479 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=153) 0 14.699491 -11.686970 -2.260170 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=154) 0 13.366699 -12.367096 -3.916452 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=154) 0 12.419408 -12.562586 -4.225492 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=154) 0 14.464755 -12.534125 -4.894050 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=154) 0 15.245167 -13.139692 -4.439089 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=154) 0 13.960388 -13.279295 -6.131993 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=154) 0 13.151414 -12.710140 -6.589300 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=154) 0 14.769829 -13.365862 -6.858384 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=154) 0 13.482905 -14.687233 -5.771241 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=154) 0 14.342615 -15.282512 -5.460687 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=154) 0 12.775247 -14.653984 -4.941381 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=154) 0 12.791896 -15.327818 -6.964906 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=154) 0 13.427669 -16.141202 -7.674753 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=154) 0 11.590971 -15.042376 -7.187521 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=154) 0 15.120047 -11.205144 -5.312951 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=154) 0 16.171443 -11.205422 -5.953110 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=155) 0 14.498045 -10.092627 -4.914130 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=155) 0 13.623706 -10.241370 -4.431438 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=155) 0 14.915760 -8.694207 -5.057740 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=155) 0 15.987315 -8.637150 -5.239546 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=155) 0 14.155104 -8.051238 -6.231886 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=155) 0 13.085568 -8.182536 -6.065460 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=155) 0 14.425021 -6.548180 -6.332886 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=155) 0 15.488924 -6.364448 -6.483951 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=155) 0 13.839728 -6.150591 -7.155024 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=155) 0 14.094171 -6.032507 -5.433132 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=155) 0 14.509305 -8.702399 -7.576828 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=155) 0 14.284538 -9.767753 -7.550986 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=155) 0 13.899478 -8.269042 -8.367609 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=155) 0 15.566257 -8.566584 -7.799184 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=155) 0 14.572137 -7.947378 -3.762899 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=155) 0 13.454002 -8.095731 -3.269800 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=156) 0 15.476961 -7.118793 -3.240566 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=156) 0 16.367048 -7.027663 -3.723136 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=156) 0 15.291046 -6.283702 -2.045586 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=156) 0 14.240135 -6.025837 -1.928554 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=156) 0 15.719650 -7.100372 -0.823609 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=156) 0 16.771299 -7.370041 -0.921450 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=156) 0 15.574548 -6.513718 0.084039 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=156) 0 15.118777 -8.008592 -0.754237 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=156) 0 16.092591 -4.968759 -2.147916 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=156) 0 16.977969 -4.846817 -2.993067 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=157) 0 15.830901 -3.977065 -1.290052 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=157) 0 15.076657 -4.099118 -0.616068 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=157) 0 16.590974 -2.706456 -1.265826 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=157) 0 17.565053 -2.869887 -1.722560 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=157) 0 15.871800 -1.595832 -2.069290 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=157) 0 14.966703 -1.304958 -1.537138 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=157) 0 16.764508 -0.361898 -2.240855 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=157) 0 17.668994 -0.627785 -2.787500 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=157) 0 16.227061 0.408107 -2.794387 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=157) 0 17.040539 0.041529 -1.269670 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=157) 0 15.480699 -2.012996 -3.493869 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=157) 0 14.776280 -2.837305 -3.453752 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=157) 0 14.994169 -1.183536 -4.007417 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=157) 0 16.362230 -2.324167 -4.052168 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=157) 0 16.837763 -2.246014 0.173396 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=157) 0 15.939468 -2.327942 1.005125 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=158) 0 18.027434 -1.718939 0.482364 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=158) 0 18.737596 -1.669286 -0.243309 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=158) 0 18.314262 -1.060935 1.769163 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=158) 0 17.374446 -0.944865 2.295129 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=158) 0 19.215863 -1.921444 2.688236 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=158) 0 20.156688 -2.111200 2.173751 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=158) 0 19.520519 -1.170553 4.003774 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=158) 0 18.596502 -0.947605 4.536582 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=158) 0 20.176764 -1.757056 4.643527 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=158) 0 20.047169 -0.237391 3.805443 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=158) 0 18.532624 -3.277057 2.992177 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=158) 0 17.600269 -3.094123 3.527647 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=158) 0 18.288941 -3.780124 2.056770 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=158) 0 19.382538 -4.258480 3.805621 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=158) 0 18.823068 -5.182488 3.941981 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=158) 0 20.312758 -4.473592 3.278480 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=158) 0 19.603541 -3.853488 4.789642 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=158) 0 18.867328 0.350891 1.543107 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=158) 0 19.776516 0.549136 0.738364 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=159) 0 18.320964 1.328651 2.265933 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=159) 0 17.552949 1.078265 2.880614 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=159) 0 18.822086 2.699298 2.354198 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=159) 0 19.387015 2.946936 1.457201 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=159) 0 17.988812 3.394520 2.429752 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=159) 0 19.714152 2.888211 3.578394 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=159) 0 19.372238 2.459164 4.678835 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=160) 0 20.849393 3.544717 3.383598 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=160) 0 21.018535 3.935953 2.463143 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=160) 0 21.916331 3.735396 4.358362 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=160) 0 21.660930 3.259180 5.305388 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=160) 0 23.200153 3.085782 3.817342 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=160) 0 23.459184 3.539759 2.859176 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=160) 0 24.018316 3.298830 4.502167 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=160) 0 23.105310 1.584900 3.630406 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=160) 0 22.564762 1.054423 2.445155 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=160) 0 22.207338 1.715592 1.669111 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=160) 0 22.471155 -0.335801 2.274530 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=160) 0 22.019756 -0.731161 1.381195 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=160) 0 22.938379 -1.205489 3.272190 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=160) 0 22.864587 -2.275596 3.136663 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=160) 0 23.487213 -0.676929 4.451688 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=160) 0 23.848259 -1.340241 5.218311 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=160) 0 23.562539 0.714253 4.635900 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=160) 0 23.975810 1.115002 5.548422 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=160) 0 22.073552 5.235441 4.596712 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=160) 0 22.741501 5.926692 3.827895 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=161) 0 21.415446 5.740083 5.640052 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=161) 0 20.928436 5.100224 6.260707 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=161) 0 21.339272 7.165261 5.949015 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=161) 0 22.137274 7.692132 5.429544 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=161) 0 20.011923 7.744299 5.451611 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=161) 0 19.182103 7.242647 5.952571 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=161) 0 19.986111 8.797406 5.731779 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=161) 0 19.835315 7.640187 3.952006 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=161) 0 20.591466 8.468881 3.103360 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=161) 0 21.269164 9.196635 3.524320 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=161) 0 20.502019 8.321681 1.710228 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=161) 0 21.119029 8.930074 1.062940 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=161) 0 19.631205 7.363370 1.166757 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=161) 0 19.571699 7.240768 0.098964 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=161) 0 18.859456 6.546160 2.010738 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=161) 0 18.201012 5.803577 1.588407 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=161) 0 18.967461 6.677228 3.404883 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=161) 0 18.396392 6.030790 4.055004 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=161) 0 21.512701 7.395389 7.446026 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=161) 0 20.581018 7.213941 8.229755 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=162) 0 22.714693 7.816462 7.846945 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=162) 0 23.418092 7.985358 7.126882 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=162) 0 23.043613 8.149059 9.239175 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=162) 0 22.848140 7.282954 9.870102 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=162) 0 24.544306 8.458022 9.303861 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=162) 0 25.098700 7.579820 8.966638 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=162) 0 24.769529 9.287916 8.630845 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=162) 0 25.002543 8.823357 10.720046 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=162) 0 24.515587 9.753067 11.007733 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=162) 0 24.702603 8.044562 11.423104 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=162) 0 26.528810 8.987184 10.769264 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=162) 0 26.973494 8.014689 10.979961 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=162) 0 26.905190 9.319627 9.802038 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=162) 0 26.974451 9.993724 11.833813 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=162) 0 26.592990 9.685094 12.811945 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=162) 0 28.066794 9.986805 11.881951 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=162) 0 26.499620 11.359756 11.509170 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=162) 0 25.490447 11.431967 11.610580 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=162) 0 26.894329 12.051896 12.139683 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=162) 0 26.715459 11.622066 10.549556 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=162) 0 22.160799 9.285336 9.774294 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=162) 0 21.804962 9.279768 10.951789 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=163) 0 21.745130 10.208290 8.908669 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=163) 0 22.114034 10.172546 7.964703 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=163) 0 20.705524 11.199202 9.169443 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=163) 0 20.488929 11.213544 10.237819 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=163) 0 21.222760 12.590863 8.790300 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=163) 0 22.263347 12.684099 9.107751 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=163) 0 21.186096 12.742284 7.711439 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=163) 0 20.394154 13.646324 9.507293 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=163) 0 19.168831 13.735768 9.281978 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=163) 0 20.953727 14.283313 10.428967 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=163) 0 19.405364 10.833949 8.434485 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=163) 0 19.242333 11.098007 7.241472 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=164) 0 18.463336 10.213009 9.143498 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=164) 0 18.630994 10.049720 10.126007 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=164) 0 17.212866 9.705124 8.554603 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=164) 0 17.470694 9.334221 7.567003 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=164) 0 16.717991 8.469526 9.331572 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=164) 0 17.510604 7.720940 9.291960 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=164) 0 16.450659 8.777515 10.800990 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=164) 0 15.716194 9.578354 10.886436 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=164) 0 16.077898 7.884724 11.298984 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=164) 0 17.378106 9.067219 11.286681 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=164) 0 15.467794 7.830733 8.724657 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=164) 0 15.605934 7.708601 7.653001 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=164) 0 15.297770 6.854307 9.179941 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=164) 0 14.598420 8.459256 8.905607 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=164) 0 16.149759 10.796757 8.321875 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=164) 0 15.231454 10.602073 7.525647 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=165) 0 16.289288 11.983698 8.919840 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=165) 0 17.035396 12.088015 9.599013 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=165) 0 15.488727 13.177642 8.584041 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=165) 0 14.480018 12.860257 8.323053 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=165) 0 15.375333 14.118209 9.801182 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=165) 0 16.260692 14.042336 10.429533 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=165) 0 15.322434 15.149644 9.450563 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=165) 0 14.114367 13.873733 10.639413 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=165) 0 14.063610 14.640417 11.415347 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=165) 0 13.239425 13.996863 9.999477 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=165) 0 14.070586 12.491600 11.293182 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=165) 0 14.440621 12.372081 12.485416 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=165) 0 13.594695 11.529814 10.646773 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=165) 0 16.000453 13.940789 7.345510 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=165) 0 15.293567 14.821742 6.837763 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=166) 0 17.191609 13.616859 6.831973 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=166) 0 17.747875 12.927685 7.323911 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=166) 0 17.759693 14.242915 5.629177 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=166) 0 17.770083 15.319998 5.796425 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=166) 0 19.213954 13.807361 5.415511 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=166) 0 19.655901 14.427665 4.634562 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=166) 0 19.778069 13.961883 6.335927 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=166) 0 19.304467 12.450806 5.018870 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=166) 0 19.201772 11.902384 5.832239 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=166) 0 16.937837 13.984215 4.358342 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=166) 0 16.200107 12.999243 4.260163 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=167) 0 17.087780 14.874571 3.369846 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=167) 0 17.645533 15.701618 3.546303 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=167) 0 16.387076 14.848339 2.077707 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=167) 0 15.359031 15.186117 2.211405 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=167) 0 17.101571 15.789649 1.089860 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=167) 0 18.165127 15.546046 1.051739 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=167) 0 16.685559 15.621432 0.094595 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=167) 0 16.947752 17.266594 1.437433 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=167) 0 17.191569 17.644789 2.607072 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=167) 0 16.544665 18.043138 0.546330 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=167) 0 16.352351 13.447635 1.462811 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=167) 0 15.280431 12.912158 1.186881 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=168) 0 17.532510 12.847591 1.307118 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=168) 0 18.354887 13.377596 1.556131 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=168) 0 17.757709 11.557305 0.658056 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=168) 0 17.334056 11.579847 -0.345193 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=168) 0 19.263424 11.352327 0.538412 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=168) 0 19.723729 11.381314 1.528106 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=168) 0 19.467000 10.382463 0.086649 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=168) 0 19.801807 12.383396 -0.269117 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=168) 0 20.757369 12.170644 -0.370072 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=168) 0 17.143975 10.377212 1.408469 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=168) 0 16.634470 9.450965 0.780964 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=169) 0 17.123751 10.420507 2.740839 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=169) 0 17.498280 11.234102 3.212016 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=169) 0 16.512546 9.376393 3.555452 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=169) 0 16.872549 8.402615 3.222556 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=169) 0 16.955513 9.602535 4.995328 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=169) 0 16.574692 10.557471 5.356010 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=169) 0 16.574481 8.794417 5.618239 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=169) 0 18.039923 9.629007 5.048774 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=169) 0 14.981954 9.384154 3.438973 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=169) 0 14.351631 8.335794 3.281095 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=170) 0 14.379033 10.577901 3.446767 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=170) 0 14.959620 11.400954 3.596983 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=170) 0 12.933209 10.758503 3.264151 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=170) 0 12.412371 9.986599 3.826428 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=170) 0 12.532637 12.120911 3.845502 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=170) 0 13.184828 12.880789 3.414896 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=170) 0 11.513235 12.357071 3.552022 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=170) 0 12.624701 12.183936 5.385630 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=170) 0 13.598565 11.820785 5.713714 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=170) 0 12.542068 13.227817 5.684462 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=170) 0 11.504873 11.408497 6.104322 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=170) 0 10.545953 11.812920 5.775352 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=170) 0 11.533941 10.352229 5.843660 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=170) 0 11.597797 11.576902 7.628806 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=170) 0 11.860481 12.616476 7.844329 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=170) 0 10.616851 11.394948 8.076689 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=170) 0 12.591847 10.672051 8.251682 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=170) 0 13.466073 10.636060 7.736337 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=170) 0 12.845936 11.008430 9.181709 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=170) 0 12.244217 9.727766 8.395986 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=170) 0 12.497650 10.556780 1.804840 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=170) 0 11.418106 10.010547 1.583138 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=171) 0 13.355110 10.863706 0.827497 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=171) 0 14.186147 11.387792 1.079804 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=171) 0 13.199876 10.458968 -0.579970 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=171) 0 12.247243 10.822959 -0.965753 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=171) 0 14.347083 11.046289 -1.415487 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=171) 0 15.281861 10.896938 -0.882141 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=171) 0 14.427288 10.496831 -2.353154 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=171) 0 14.195771 12.539720 -1.726460 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=171) 0 13.814337 13.067745 -0.860464 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=171) 0 15.183028 12.941682 -1.949524 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=171) 0 13.280341 12.829742 -2.905426 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=171) 0 12.423233 12.046621 -3.294466 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=171) 0 13.463195 13.944736 -3.558438 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=171) 0 12.827779 14.173775 -4.311899 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=171) 0 14.159608 14.609616 -3.230630 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=171) 0 13.223054 8.934679 -0.745293 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=171) 0 12.410172 8.373516 -1.478224 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=172) 0 14.129389 8.250889 -0.042978 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=172) 0 14.834997 8.762783 0.476910 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=172) 0 14.216027 6.794496 -0.057591 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=172) 0 14.214156 6.462517 -1.089322 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=172) 0 15.538730 6.361898 0.578303 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=172) 0 16.363967 6.675411 -0.062581 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=172) 0 15.660291 6.857345 1.541331 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=172) 0 15.607404 4.868907 0.783961 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=172) 0 15.803396 4.013789 -0.313295 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=172) 0 15.955697 4.422672 -1.298801 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=172) 0 15.767788 2.623486 -0.133747 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=172) 0 15.896112 1.970868 -0.980984 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=172) 0 15.531144 2.085955 1.141150 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=172) 0 15.498997 1.013725 1.281398 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=172) 0 15.317466 2.942071 2.232690 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=172) 0 15.117062 2.529245 3.205593 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=172) 0 15.360250 4.332509 2.057929 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=172) 0 15.175603 4.989596 2.893856 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=172) 0 12.996685 6.126546 0.589371 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=172) 0 12.439155 5.193180 0.010550 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=173) 0 12.507805 6.658414 1.714103 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=173) 0 13.044552 7.384630 2.177947 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=173) 0 11.200721 6.283741 2.261265 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=173) 0 11.208230 5.215008 2.478449 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=173) 0 10.950808 7.062540 3.566753 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=173) 0 11.303442 8.084177 3.440356 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=173) 0 9.878572 7.111434 3.764557 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=173) 0 11.650869 6.413474 4.775814 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=173) 0 12.618825 6.017891 4.469511 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=173) 0 11.883220 7.431216 5.891549 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=173) 0 10.935429 7.873733 6.197652 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=173) 0 12.344949 6.936346 6.746772 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=173) 0 12.562562 8.204440 5.535230 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=173) 0 10.799722 5.271806 5.337291 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=173) 0 10.586527 4.543945 4.557211 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=173) 0 11.337078 4.780032 6.148824 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=173) 0 9.857300 5.661931 5.721617 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=173) 0 10.085707 6.506249 1.226512 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=173) 0 9.289234 5.602948 0.999176 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=174) 0 10.075135 7.634847 0.512585 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=174) 0 10.739648 8.363884 0.745759 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=174) 0 9.106013 7.892701 -0.558987 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=174) 0 8.116221 7.727082 -0.134174 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=174) 0 9.209302 9.365804 -1.006326 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=174) 0 10.190408 9.765934 -0.757222 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=174) 0 9.104276 9.435271 -2.085496 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=174) 0 8.132004 10.249156 -0.361715 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=174) 0 8.134025 10.103206 0.718310 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=174) 0 8.361641 11.294829 -0.564061 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=174) 0 6.744970 9.935923 -0.911645 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=174) 0 6.010716 9.103441 -0.395373 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=174) 0 6.338026 10.516330 -2.016199 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=174) 0 5.398245 10.325023 -2.348146 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=174) 0 6.911558 11.206545 -2.495361 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=174) 0 9.202901 6.918519 -1.752930 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=174) 0 8.183275 6.677386 -2.402598 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=175) 0 10.363985 6.314841 -2.027446 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=175) 0 11.183776 6.596260 -1.503037 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=175) 0 10.499681 5.228364 -3.004803 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=175) 0 9.912395 5.471536 -3.890307 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=175) 0 11.966021 5.115556 -3.429331 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=175) 0 12.572893 4.770028 -2.592775 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=175) 0 12.051914 4.401919 -4.249708 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=175) 0 12.330599 6.085585 -3.759626 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=175) 0 9.967611 3.888403 -2.467463 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=175) 0 9.190185 3.218605 -3.148929 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=176) 0 10.322309 3.530582 -1.229042 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=176) 0 10.969911 4.124423 -0.721218 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=176) 0 9.815422 2.334184 -0.554304 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=176) 0 10.120993 1.450230 -1.111806 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=176) 0 10.430713 2.289566 0.849872 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=176) 0 10.080993 3.131101 1.446852 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=176) 0 10.136596 1.362995 1.339387 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=176) 0 11.517232 2.334900 0.783260 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=176) 0 8.281019 2.334122 -0.480868 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=176) 0 7.616582 1.353899 -0.801878 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=177) 0 7.707719 3.483851 -0.131639 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=177) 0 8.324307 4.245280 0.140502 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=177) 0 6.267530 3.713280 -0.019441 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=177) 0 5.834174 2.882753 0.536427 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=177) 0 6.070872 5.012763 0.788920 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=177) 0 6.658079 5.800317 0.314870 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=177) 0 5.040211 5.345017 0.743134 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=177) 0 6.497862 4.908728 2.271199 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=177) 0 7.521799 4.545688 2.338537 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=177) 0 6.479141 5.915523 2.693536 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=177) 0 5.638258 4.001433 3.158793 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=177) 0 4.721072 3.292898 2.686619 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=177) 0 5.848708 3.985301 4.393537 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=177) 0 5.529566 3.724624 -1.379999 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=177) 0 4.303548 3.862030 -1.408878 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=178) 0 6.243092 3.552891 -2.501202 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=178) 0 7.247745 3.463320 -2.405341 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=178) 0 5.690021 3.385968 -3.849708 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=178) 0 4.620242 3.600476 -3.829162 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=178) 0 6.349992 4.429625 -4.755566 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=178) 0 7.430740 4.291018 -4.768953 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=178) 0 5.969145 4.335291 -5.772761 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=178) 0 6.114173 5.421985 -4.377496 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=178) 0 5.839097 1.953894 -4.414123 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=178) 0 5.036333 1.548948 -5.265095 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=179) 0 6.797877 1.155299 -3.924937 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=179) 0 7.413421 1.529533 -3.210957 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=179) 0 6.991550 -0.259059 -4.300009 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=179) 0 6.124671 -0.592510 -4.866732 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=179) 0 8.213880 -0.455057 -5.237781 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=179) 0 9.117270 -0.173409 -4.698060 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=179) 0 8.337553 -1.924479 -5.691735 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=179) 0 7.552820 -2.160803 -6.406938 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=179) 0 9.302083 -2.088318 -6.164376 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=179) 0 8.271386 -2.614698 -4.856443 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=179) 0 8.105408 0.437337 -6.498220 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=179) 0 7.143562 0.265521 -6.981476 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=179) 0 8.144762 1.481790 -6.192108 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=179) 0 9.210464 0.214122 -7.542205 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=179) 0 9.138608 -0.780562 -7.979780 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=179) 0 9.096274 0.930480 -8.351296 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=179) 0 10.186964 0.348061 -7.079718 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=179) 0 7.011115 -1.136579 -3.036818 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=179) 0 8.035093 -1.664578 -2.618497 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=180) 0 5.829369 -1.351147 -2.458338 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=180) 0 5.021867 -0.867043 -2.832273 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=180) 0 5.595617 -2.352463 -1.405348 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=180) 0 6.308296 -2.187116 -0.594611 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=180) 0 4.175878 -2.105427 -0.877795 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=180) 0 4.137388 -1.080028 -0.513430 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=180) 0 3.465084 -2.185244 -1.699633 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=180) 0 3.731830 -3.043632 0.244664 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=180) 0 4.063836 -2.767264 1.419704 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=180) 0 2.961321 -3.988204 -0.039302 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=180) 0 5.795212 -3.798925 -1.914562 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=180) 0 5.895690 -4.741494 -1.129781 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=181) 0 5.879544 -3.981057 -3.235667 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=181) 0 5.760765 -3.159931 -3.817723 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=181) 0 6.153962 -5.236107 -3.943177 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=181) 0 5.703783 -6.031990 -3.368269 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=181) 0 5.410500 -5.278070 -5.294270 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=181) 0 5.749517 -6.145764 -5.861386 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=181) 0 4.352298 -5.439081 -5.083232 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=181) 0 5.507309 -4.022094 -6.167997 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=181) 0 5.144058 -2.914159 -5.700150 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=181) 0 5.816360 -4.158113 -7.374495 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=181) 0 7.645035 -5.631647 -3.973798 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=181) 0 8.020193 -6.631686 -4.592360 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=182) 0 8.487480 -4.907980 -3.233431 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=182) 0 8.106550 -4.104540 -2.742773 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=182) 0 9.869508 -5.258429 -2.882604 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=182) 0 10.050370 -6.304679 -3.116543 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=182) 0 10.851721 -4.394675 -3.715153 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=182) 0 10.598450 -3.347509 -3.560438 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=182) 0 12.303540 -4.605887 -3.264082 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=182) 0 12.564075 -5.657212 -3.361584 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=182) 0 12.977375 -4.012039 -3.872504 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=182) 0 12.433973 -4.277974 -2.234375 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=182) 0 10.732948 -4.704170 -5.226442 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=182) 0 10.989864 -5.750418 -5.389845 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=182) 0 9.701155 -4.561869 -5.543018 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=182) 0 11.603188 -3.826717 -6.141659 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=182) 0 12.649755 -4.117727 -6.071296 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=182) 0 11.280986 -3.953522 -7.175542 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=182) 0 11.502342 -2.777546 -5.863990 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=182) 0 10.040650 -5.042037 -1.361067 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=182) 0 9.484807 -4.077075 -0.835246 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=183) 0 10.816532 -5.863493 -0.623928 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=183) 0 11.294091 -7.189064 -0.945435 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=183) 0 12.305004 -7.115319 -1.340425 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=183) 0 10.641671 -7.705039 -1.643259 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=183) 0 11.320456 -7.921205 0.394828 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=183) 0 12.013054 -8.760250 0.393190 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=183) 0 10.315195 -8.249081 0.662371 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=183) 0 11.784478 -6.832723 1.354710 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=183) 0 12.875161 -6.806211 1.361128 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=183) 0 11.408978 -7.004540 2.363450 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=183) 0 11.203262 -5.548783 0.745619 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=183) 0 10.313560 -5.265099 1.308446 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=183) 0 12.214638 -4.402286 0.743745 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=183) 0 13.331156 -4.538292 0.230704 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=184) 0 11.824674 -3.279210 1.336834 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=184) 0 10.896697 -3.256882 1.741892 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=184) 0 12.709966 -2.149644 1.597286 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=184) 0 13.602922 -2.246395 0.987273 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=184) 0 12.039952 -0.827659 1.205362 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=184) 0 11.005402 -0.841469 1.542985 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=184) 0 12.541787 -0.019589 1.738864 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=184) 0 12.057940 -0.488938 -0.273978 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=184) 0 11.158962 -1.106560 -1.158228 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=184) 0 10.470394 -1.855091 -0.798596 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=184) 0 11.108352 -0.707079 -2.503231 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=184) 0 10.397526 -1.169784 -3.167133 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=184) 0 11.932312 0.327987 -2.968919 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=184) 0 11.833767 0.669130 -3.986427 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=184) 0 12.844982 0.940764 -2.096242 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=184) 0 13.470468 1.749743 -2.444115 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=184) 0 12.905196 0.526810 -0.754490 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=184) 0 13.564606 1.030874 -0.073962 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=184) 0 13.128831 -2.146888 3.070112 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=184) 0 12.304295 -2.365943 3.956135 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=185) 0 14.394411 -1.836563 3.341105 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=185) 0 15.030329 -1.739763 2.555410 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=185) 0 14.920310 -1.562003 4.679016 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=185) 0 14.111971 -1.593900 5.403912 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=185) 0 15.647824 -2.324680 4.947132 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=185) 0 15.605466 -0.198625 4.755558 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=185) 0 16.079320 0.308077 3.743393 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=186) 0 15.695286 0.402787 5.939032 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=186) 0 15.268627 -0.051022 6.743432 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=186) 0 16.461203 1.636339 6.178894 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=186) 0 17.130449 1.783476 5.333888 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=186) 0 15.534867 2.872274 6.245935 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=186) 0 14.894520 2.841929 5.368953 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=186) 0 14.611075 2.858043 7.475470 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=186) 0 15.183883 3.004577 8.391803 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=186) 0 13.870363 3.652290 7.394949 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=186) 0 14.077481 1.909839 7.534579 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=186) 0 16.357636 4.175206 6.148625 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=186) 0 16.947617 4.312919 7.055683 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=186) 0 17.042441 4.096096 5.303128 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=186) 0 15.493225 5.422388 5.932476 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=186) 0 14.890971 5.621476 6.817643 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=186) 0 16.138504 6.279617 5.740256 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=186) 0 14.832072 5.277370 5.080696 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=186) 0 17.340775 1.487464 7.418709 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=186) 0 16.923055 0.884297 8.403743 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=187) 0 18.557454 2.026433 7.388088 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=187) 0 18.882746 2.455473 6.525776 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=187) 0 19.475807 2.000242 8.530523 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=187) 0 18.886567 1.843465 9.431788 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=187) 0 20.455031 0.822369 8.423873 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=187) 0 19.880943 -0.086203 8.253519 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=187) 0 21.476956 0.943361 7.293425 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=187) 0 22.227948 1.694551 7.536549 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=187) 0 21.960787 -0.016824 7.139499 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=187) 0 20.977045 1.214179 6.365347 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=187) 0 21.144831 0.684799 9.644354 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=187) 0 20.541542 0.197872 10.234640 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=187) 0 20.220982 3.317415 8.707930 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=187) 0 20.690156 3.912503 7.736018 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=188) 0 20.372082 3.737231 9.964912 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=188) 0 19.897822 3.219776 10.699309 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=188) 0 21.235865 4.848691 10.377892 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=188) 0 21.651331 5.304249 9.481415 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=188) 0 20.417934 5.942812 11.079854 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=188) 0 21.065870 6.793438 11.289691 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=188) 0 19.621056 6.277088 10.414033 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=188) 0 19.839670 5.496606 12.295143 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=188) 0 19.456931 6.303116 12.725552 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=188) 0 22.453271 4.395212 11.196647 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=188) 0 23.147642 5.230786 11.775519 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=189) 0 22.734035 3.084912 11.261426 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=189) 0 22.151203 2.438304 10.743301 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=189) 0 23.881938 2.535748 11.988064 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=189) 0 24.283810 3.308307 12.646849 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=189) 0 23.431571 1.375437 12.893607 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=189) 0 22.676040 1.733804 13.588255 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=189) 0 22.997392 0.581165 12.288997 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=189) 0 24.590607 0.818995 13.705375 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=189) 0 25.635723 1.436870 13.833998 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=189) 0 24.483242 -0.366346 14.248418 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=189) 0 25.331117 -0.730415 14.688273 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=189) 0 23.666970 -0.944676 14.086711 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=189) 0 25.014026 2.120792 11.033659 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=189) 0 24.828945 1.275137 10.154510 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=190) 0 26.218184 2.657810 11.244334 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=190) 0 26.356238 3.259466 12.044404 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=190) 0 27.370694 2.386475 10.383691 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=190) 0 27.016673 2.487197 9.361841 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=190) 0 28.452810 3.449018 10.554563 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=190) 0 29.245125 3.257967 9.830760 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=190) 0 28.032323 4.435598 10.353355 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=190) 0 28.994879 3.426697 11.857601 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=190) 0 29.948558 3.625766 11.752374 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=190) 0 27.944750 0.965810 10.500007 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=190) 0 28.678700 0.549503 9.603762 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=191) 0 27.550024 0.156111 11.491667 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=191) 0 27.011795 0.550337 12.255092 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=191) 0 27.786518 -1.301360 11.454212 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=191) 0 28.858123 -1.502961 11.460217 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=191) 0 27.136199 -1.990731 12.662837 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=191) 0 26.086739 -1.705579 12.708339 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=191) 0 27.157725 -3.068875 12.510518 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=191) 0 27.823119 -1.702242 13.993622 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=191) 0 29.012020 -2.066990 14.160023 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=191) 0 27.146544 -1.164685 14.898929 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=191) 0 27.179814 -1.933738 10.188237 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=191) 0 27.795432 -2.773627 9.525663 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=192) 0 25.967917 -1.503847 9.826250 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=192) 0 25.541520 -0.762101 10.370275 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=192) 0 25.201944 -2.057582 8.702675 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=192) 0 25.330316 -3.140441 8.705250 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=192) 0 23.697038 -1.757892 8.856377 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=192) 0 23.515166 -0.720447 8.584923 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=192) 0 22.862745 -2.678972 7.957906 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=192) 0 22.989275 -3.715106 8.269056 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=192) 0 21.808424 -2.411284 8.035418 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=192) 0 23.168775 -2.582358 6.919519 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=192) 0 23.208712 -1.974853 10.294465 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=192) 0 23.601709 -1.196275 10.944764 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=192) 0 22.120063 -1.929111 10.335673 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=192) 0 23.550006 -2.943012 10.650743 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=192) 0 25.751337 -1.534399 7.375074 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=192) 0 25.883498 -2.302716 6.427016 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=193) 0 26.179688 -0.265939 7.331256 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=193) 0 26.040170 0.301591 8.155590 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=193) 0 26.981759 0.283977 6.227974 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=193) 0 26.405514 0.280175 5.301981 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=193) 0 27.423911 1.719946 6.556396 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=193) 0 27.854556 1.739672 7.551132 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=193) 0 28.250413 1.946795 5.894664 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=193) 0 26.440240 2.872998 6.445243 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=193) 0 26.794493 3.988918 5.660070 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=193) 0 27.698415 3.975163 5.065141 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=193) 0 26.002865 5.148062 5.676500 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=193) 0 26.290126 6.010654 5.093326 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=193) 0 24.837931 5.192159 6.456365 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=193) 0 24.232677 6.085935 6.453496 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=193) 0 24.456518 4.073387 7.216638 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=193) 0 23.549787 4.104714 7.806395 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=193) 0 25.260775 2.918921 7.216247 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=193) 0 24.968920 2.077763 7.822478 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=193) 0 28.258772 -0.549950 6.000699 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=193) 0 28.564945 -0.940640 4.872285 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=194) 0 28.990084 -0.851568 7.081510 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=194) 0 28.679079 -0.489667 7.975036 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=194) 0 30.280192 -1.555337 7.034114 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=194) 0 30.957522 -1.008204 6.376425 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=194) 0 30.924200 -1.637057 8.421558 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=194) 0 30.310577 -2.271678 9.062064 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=194) 0 31.909469 -2.096966 8.324786 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=194) 0 31.072628 -0.365205 9.033539 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=194) 0 30.173573 -0.027046 9.241315 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=194) 0 30.147306 -2.978724 6.491358 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=194) 0 31.026146 -3.433362 5.760044 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=195) 0 29.034919 -3.676988 6.770011 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=195) 0 28.358577 -3.265313 7.405329 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=195) 0 28.756888 -5.012490 6.204742 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=195) 0 29.567760 -5.681881 6.497028 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=195) 0 27.444645 -5.555090 6.801342 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=195) 0 27.525561 -5.539751 7.889927 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=195) 0 26.610284 -4.917183 6.505380 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=195) 0 27.167212 -6.996570 6.341910 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=195) 0 26.905396 -6.995655 5.283494 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=195) 0 28.069670 -7.594521 6.479806 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=195) 0 26.026977 -7.648152 7.127626 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=195) 0 26.300822 -7.687805 8.183855 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=195) 0 25.114065 -7.061374 7.009290 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=195) 0 25.797914 -9.068818 6.601073 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=195) 0 25.397799 -9.013614 5.584128 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=195) 0 26.755138 -9.595702 6.561513 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=195) 0 24.866052 -9.808712 7.474481 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=195) 0 23.975742 -9.331036 7.565395 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=195) 0 24.688111 -10.758797 7.150749 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=195) 0 25.230491 -9.901542 8.421158 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=195) 0 28.737125 -5.016291 4.667830 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=195) 0 29.054401 -6.034739 4.054675 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=196) 0 28.441663 -3.873514 4.045917 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=196) 0 28.199441 -3.076123 4.620049 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=196) 0 28.377373 -3.703078 2.591805 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=196) 0 28.624962 -4.657960 2.128533 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=196) 0 26.925212 -3.394740 2.189396 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=196) 0 26.646193 -2.414871 2.580504 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=196) 0 26.849796 -3.356783 1.102424 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=196) 0 25.954408 -4.447351 2.703844 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=196) 0 26.002820 -5.758069 2.189133 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=196) 0 26.686295 -6.000758 1.387002 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=196) 0 25.198353 -6.769332 2.749495 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=196) 0 25.257975 -7.777943 2.370015 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=196) 0 24.335571 -6.473814 3.827284 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=196) 0 23.600756 -7.459008 4.408665 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=196) 0 23.763195 -8.321771 3.979875 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=196) 0 24.273433 -5.157246 4.330095 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=196) 0 23.621482 -4.937454 5.161186 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=196) 0 25.084657 -4.149971 3.770864 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=196) 0 25.068005 -3.152694 4.186284 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=196) 0 29.433155 -2.724368 2.042561 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=196) 0 29.292153 -2.246831 0.914719 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=197) 0 30.523236 -2.490243 2.787717 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=197) 0 30.577221 -2.937262 3.695836 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=197) 0 31.663441 -1.636457 2.406595 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=197) 0 32.336317 -1.626921 3.264249 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=197) 0 32.449098 -2.251334 1.224267 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=197) 0 31.809644 -2.290926 0.342617 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=197) 0 33.287589 -1.599386 0.978930 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=197) 0 33.009510 -3.655965 1.484223 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=197) 0 32.196523 -4.343531 1.708708 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=197) 0 33.504937 -4.002348 0.580090 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=197) 0 34.018663 -3.675956 2.622600 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=197) 0 33.835635 -4.327979 3.640509 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=197) 0 35.110085 -2.961994 2.515132 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=197) 0 35.769684 -2.972533 3.280320 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=197) 0 35.318649 -2.467894 1.653775 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=197) 0 31.316260 -0.151793 2.171831 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=197) 0 31.965909 0.518588 1.367927 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=198) 0 30.288561 0.383245 2.837766 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=198) 0 29.786164 -0.185898 3.509668 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=198) 0 29.836749 1.759757 2.613954 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=198) 0 30.119381 2.057038 1.604633 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=198) 0 28.300776 1.836260 2.673347 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=198) 0 27.985261 1.654095 3.696870 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=198) 0 27.999764 2.850882 2.408187 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=198) 0 27.549467 0.842645 1.767681 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=198) 0 27.768645 -0.175211 2.087647 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=198) 0 26.051318 1.070700 1.934873 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=198) 0 25.773625 2.059364 1.568114 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=198) 0 25.498309 0.310481 1.388736 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=198) 0 25.789732 0.991609 2.987818 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=198) 0 27.901305 0.978467 0.285136 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=198) 0 28.946306 0.715277 0.124976 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=198) 0 27.278218 0.308212 -0.305903 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=198) 0 27.732182 2.002637 -0.044952 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=198) 0 30.513149 2.748279 3.579613 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=198) 0 30.244709 2.752977 4.780042 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=199) 0 31.349588 3.641281 3.052301 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=199) 0 31.563180 3.566308 2.065578 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=199) 0 31.886358 4.799935 3.787118 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=199) 0 32.090323 4.501977 4.817081 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=199) 0 33.215605 5.236107 3.150253 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=199) 0 33.744127 5.875041 3.859434 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=199) 0 33.837311 4.358660 2.968121 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=199) 0 33.020530 6.005339 1.839394 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=199) 0 32.561982 5.394651 0.843759 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=199) 0 33.326553 7.219956 1.795857 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=199) 0 30.905841 5.988855 3.822658 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=199) 0 31.043540 6.897777 4.643511 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=200) 0 29.931818 5.990570 2.909066 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=200) 0 29.877514 5.171751 2.314344 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=200) 0 29.107881 7.135301 2.506449 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=200) 0 29.244915 7.963789 3.202826 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=200) 0 29.606978 7.553406 1.110877 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=200) 0 30.662738 7.815303 1.185100 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=200) 0 29.533330 6.683751 0.463259 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=200) 0 28.877071 8.726791 0.440168 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=200) 0 27.801133 8.615519 0.531882 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=200) 0 29.162501 9.651470 0.942622 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=200) 0 29.230634 8.828903 -1.054244 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=200) 0 28.805170 9.745998 -1.450090 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=200) 0 30.311270 8.909317 -1.158568 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=200) 0 28.743306 7.652730 -1.917549 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=200) 0 29.109408 7.802407 -2.937977 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=200) 0 29.185351 6.721617 -1.552358 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=200) 0 27.264617 7.546442 -1.936526 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=200) 0 26.853277 8.428661 -2.233243 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=200) 0 26.967687 6.813618 -2.576416 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=200) 0 26.889764 7.334372 -1.015864 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=200) 0 27.631800 6.742721 2.490634 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=200) 0 27.297343 5.606959 2.152346 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=201) 0 26.751216 7.687097 2.803259 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=201) 0 27.088855 8.589014 3.108138 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=201) 0 25.300027 7.504699 2.706949 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=201) 0 25.021324 6.655022 3.329600 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=201) 0 24.592361 8.747848 3.256574 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=201) 0 24.823473 9.599715 2.614810 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=201) 0 23.515522 8.586608 3.224352 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=201) 0 25.008022 9.075914 4.690660 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=201) 0 24.314617 8.668226 5.647439 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=201) 0 25.993428 9.828018 4.871552 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=201) 0 24.832700 7.199807 1.267614 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=201) 0 25.449677 7.622525 0.279023 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=202) 0 23.729573 6.465741 1.128277 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=202) 0 23.226623 6.177382 1.966664 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=202) 0 23.203492 6.041055 -0.169650 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=202) 0 22.711689 6.881738 -0.655394 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=202) 0 24.030028 5.711579 -0.800170 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=202) 0 22.187542 4.909895 -0.073412 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=202) 0 21.550425 4.706992 0.953981 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=203) 0 22.018476 4.164758 -1.163651 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=203) 0 22.611978 4.332847 -1.962893 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=203) 0 21.064882 3.049464 -1.262294 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=203) 0 20.805805 2.708802 -0.260812 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=203) 0 19.762348 3.489486 -1.969977 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=203) 0 19.984798 3.773979 -2.994532 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=203) 0 18.717054 2.372635 -2.005522 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=203) 0 18.492329 2.044531 -0.991602 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=203) 0 17.803415 2.732688 -2.472376 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=203) 0 19.079109 1.531267 -2.593396 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=203) 0 19.124101 4.701712 -1.281689 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=203) 0 19.762819 5.573285 -1.410316 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=203) 0 18.159569 4.931463 -1.724316 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=203) 0 18.987108 4.498191 -0.221226 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=203) 0 21.732502 1.881736 -1.982222 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=203) 0 22.538360 2.092805 -2.887715 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=204) 0 21.397006 0.652146 -1.597941 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=204) 0 20.746264 0.549363 -0.823186 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=204) 0 21.865523 -0.571155 -2.255380 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=204) 0 22.355672 -0.300537 -3.187480 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=204) 0 22.901629 -1.315094 -1.395813 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=204) 0 22.425859 -1.664958 -0.484068 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=204) 0 23.456821 -2.533391 -2.126823 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=204) 0 23.944202 -2.222245 -3.050560 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=204) 0 24.176128 -3.036687 -1.481653 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=204) 0 22.656418 -3.237806 -2.352301 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=204) 0 24.096839 -0.426791 -1.026215 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=204) 0 23.772196 0.399902 -0.395547 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=204) 0 24.835185 -1.008459 -0.475365 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=204) 0 24.558963 -0.023879 -1.927839 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=204) 0 20.675568 -1.466489 -2.588806 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=204) 0 19.867346 -1.791094 -1.719498 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=205) 0 20.578826 -1.875968 -3.852276 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=205) 0 21.325752 -1.603464 -4.483813 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=205) 0 19.619817 -2.861180 -4.345412 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=205) 0 18.776535 -2.917537 -3.655775 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=205) 0 19.069067 -2.386912 -5.700780 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=205) 0 18.507960 -1.478875 -5.488357 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=205) 0 19.892909 -2.113180 -6.358431 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=205) 0 18.131855 -3.356249 -6.450342 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=205) 0 17.482241 -3.869115 -5.741769 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=205) 0 17.262075 -2.530841 -7.399502 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=205) 0 17.886706 -1.973689 -8.097104 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=205) 0 16.587457 -3.180484 -7.949366 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=205) 0 16.668160 -1.826214 -6.820383 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=205) 0 18.879174 -4.389154 -7.303825 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=205) 0 19.414862 -5.093376 -6.673635 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=205) 0 18.171775 -4.963297 -7.897465 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=205) 0 19.579085 -3.891151 -7.972518 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=205) 0 20.286266 -4.234152 -4.374001 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=205) 0 21.352721 -4.412820 -4.962186 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=206) 0 19.634372 -5.207094 -3.757435 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=206) 0 18.711934 -4.999464 -3.389736 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=206) 0 20.059263 -6.595099 -3.679930 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=206) 0 21.066434 -6.690375 -4.081474 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=206) 0 20.087137 -7.048898 -2.217762 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=206) 0 19.077919 -6.978497 -1.809344 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=206) 0 20.374912 -8.100475 -2.197025 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=206) 0 21.032880 -6.274925 -1.317739 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=206) 0 20.613952 -5.073052 -0.713849 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=206) 0 19.627034 -4.679973 -0.913418 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=206) 0 21.472625 -4.385408 0.160691 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=206) 0 21.145423 -3.465484 0.620410 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=206) 0 22.752153 -4.896344 0.438466 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=206) 0 23.408040 -4.374904 1.122252 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=206) 0 23.176242 -6.090313 -0.170255 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=206) 0 24.156680 -6.487434 0.048593 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=206) 0 22.320357 -6.777335 -1.049534 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=206) 0 22.646549 -7.702576 -1.503477 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=206) 0 19.125124 -7.477212 -4.508505 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=206) 0 17.948159 -7.164770 -4.693848 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=207) 0 19.655373 -8.588683 -5.009389 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=207) 0 20.643335 -8.758320 -4.850766 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=207) 0 18.893043 -9.633020 -5.699543 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=207) 0 17.959994 -9.787472 -5.155611 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=207) 0 18.560750 -9.190506 -7.137394 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=207) 0 18.067803 -10.012481 -7.657670 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=207) 0 17.860341 -8.355505 -7.100980 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=207) 0 19.800431 -8.753369 -7.927828 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=207) 0 20.187984 -7.818144 -7.520315 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=207) 0 20.565826 -9.519684 -7.845301 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=207) 0 19.462837 -8.555660 -9.402471 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=207) 0 19.143613 -9.507852 -9.818465 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=207) 0 18.667500 -7.818033 -9.503565 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=207) 0 20.711300 -8.078976 -10.134888 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=207) 0 21.056992 -7.146749 -9.681818 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=207) 0 21.509315 -8.816455 -10.008432 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=207) 0 20.458370 -7.855778 -11.569935 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=207) 0 19.733801 -7.161044 -11.713109 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=207) 0 21.301856 -7.490336 -12.001361 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=207) 0 20.278159 -8.722720 -12.076962 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=207) 0 19.638638 -10.964179 -5.671900 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=207) 0 20.832525 -11.001952 -5.372260 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=208) 0 18.959312 -12.058304 -6.007953 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=208) 0 17.967307 -11.935045 -6.197692 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=208) 0 19.510487 -13.428108 -5.937467 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=208) 0 20.356004 -13.413327 -5.246609 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=208) 0 18.466978 -14.370330 -5.315544 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=208) 0 17.589005 -14.434985 -5.961303 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=208) 0 18.901074 -15.364763 -5.218702 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=208) 0 18.053323 -13.865566 -3.921942 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=208) 0 18.943224 -13.630949 -3.336232 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=208) 0 17.464858 -12.954644 -4.028698 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=208) 0 17.228366 -14.902901 -3.162992 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=208) 0 16.404107 -15.244964 -3.791246 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=208) 0 17.863187 -15.751596 -2.904957 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=208) 0 16.670150 -14.267155 -1.891306 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=208) 0 17.491869 -13.862020 -1.294922 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=208) 0 16.017424 -13.442258 -2.179317 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=208) 0 15.908093 -15.254903 -1.104880 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=208) 0 16.541344 -15.895803 -0.633200 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=208) 0 15.347241 -14.800535 -0.393473 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=208) 0 15.272312 -15.779897 -1.705640 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=208) 0 20.124320 -13.934741 -7.254583 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=208) 0 20.269713 -15.141308 -7.454841 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=209) 0 20.469250 -13.017035 -8.156951 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=209) 0 20.382285 -12.047469 -7.899045 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=209) 0 20.999773 -13.287961 -9.495226 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=209) 0 21.633232 -14.174521 -9.444919 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=209) 0 19.832652 -13.589316 -10.457445 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=209) 0 20.231475 -13.743476 -11.460506 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=209) 0 19.381798 -14.535860 -10.157080 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=209) 0 18.724238 -12.548872 -10.519448 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=209) 0 18.681552 -11.615736 -11.572821 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=209) 0 19.442691 -11.629248 -12.340363 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=209) 0 17.632349 -10.680992 -11.647595 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=209) 0 17.596455 -9.984249 -12.471852 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=209) 0 16.627348 -10.667692 -10.662057 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=209) 0 15.809467 -9.963418 -10.720932 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=209) 0 16.662007 -11.601569 -9.613494 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=209) 0 15.875152 -11.611151 -8.870777 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=209) 0 17.699678 -12.547458 -9.550842 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=209) 0 17.694128 -13.290221 -8.766577 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=209) 0 21.888309 -12.132403 -9.994682 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=209) 0 21.882783 -11.040696 -9.425687 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=210) 0 22.652759 -12.378251 -11.061421 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=210) 0 22.584507 -13.298345 -11.473786 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=210) 0 23.707482 -11.503491 -11.605653 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=210) 0 24.229034 -12.064697 -12.380640 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=210) 0 23.099756 -10.273197 -12.309378 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=210) 0 22.708104 -9.591038 -11.556735 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=210) 0 23.889561 -9.752020 -12.851918 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=210) 0 21.988401 -10.623348 -13.303386 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=210) 0 21.007183 -9.842322 -13.372490 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=210) 0 22.109054 -11.664945 -13.996120 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=210) 0 24.778872 -11.186019 -10.543737 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=210) 0 25.123659 -12.064255 -9.746425 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=211) 0 25.324101 -9.967094 -10.494108 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=211) 0 25.053379 -9.287752 -11.195070 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=211) 0 26.253284 -9.537362 -9.430172 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=211) 0 27.103495 -10.220927 -9.427812 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=211) 0 26.807910 -8.133482 -9.743087 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=211) 0 27.682325 -7.973107 -9.111269 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=211) 0 27.148023 -8.108255 -10.778019 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=211) 0 25.842769 -6.960313 -9.501737 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=211) 0 25.585066 -6.935044 -8.444478 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=211) 0 26.358892 -6.028403 -9.739712 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=211) 0 24.564605 -7.049446 -10.335306 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=211) 0 24.647412 -6.935410 -11.581328 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=211) 0 23.480309 -7.280947 -9.754573 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=211) 0 25.627457 -9.594934 -8.018988 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=211) 0 26.335022 -9.721010 -7.016343 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=212) 0 24.294753 -9.529581 -7.933212 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=212) 0 23.782936 -9.388204 -8.798008 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=212) 0 23.505723 -9.698210 -6.712355 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=212) 0 22.505674 -10.015917 -6.992886 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=212) 0 23.948683 -10.489991 -6.109419 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=212) 0 23.392135 -8.452283 -5.831024 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=212) 0 22.596473 -8.446852 -4.886790 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=213) 0 24.165347 -7.395835 -6.106336 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=213) 0 24.784411 -7.463222 -6.905873 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=213) 0 24.236879 -6.180850 -5.284591 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=213) 0 23.251247 -5.988730 -4.861695 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=213) 0 25.217668 -6.442254 -4.130785 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=213) 0 24.912125 -7.355468 -3.617435 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=213) 0 26.219419 -6.593178 -4.533636 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=213) 0 25.222245 -5.312801 -3.097311 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=213) 0 24.253800 -4.821325 -3.129856 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=213) 0 25.333261 -5.741535 -2.100569 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=213) 0 26.337985 -4.281304 -3.319332 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=213) 0 26.558302 -4.173184 -4.382531 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=213) 0 25.979015 -3.322768 -2.952611 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=213) 0 27.557900 -4.671823 -2.591053 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=213) 0 27.845469 -5.644151 -2.679869 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=213) 0 28.233604 -3.930983 -1.734571 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=213) 0 28.022200 -2.652855 -1.580585 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=213) 0 27.368265 -2.168406 -2.191101 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=213) 0 28.478202 -2.170003 -0.815218 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=213) 0 29.145259 -4.460514 -0.973581 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=213) 0 29.323051 -5.463737 -0.983103 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=213) 0 29.642837 -3.856568 -0.341118 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=213) 0 24.648862 -4.964557 -6.115517 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=213) 0 25.667880 -4.989088 -6.791257 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=214) 0 23.862961 -3.895477 -6.037902 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=214) 0 23.052640 -3.956145 -5.432579 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=214) 0 23.939413 -2.725158 -6.910765 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=214) 0 24.871555 -2.738757 -7.481515 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=214) 0 22.746450 -2.771753 -7.886461 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=214) 0 21.817119 -2.832260 -7.325079 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=214) 0 22.723651 -1.853663 -8.473802 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=214) 0 22.822474 -3.944273 -8.842362 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=214) 0 23.316423 -3.819788 -9.950661 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=214) 0 22.352674 -5.104194 -8.451232 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=214) 0 22.634220 -5.913570 -9.012858 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=214) 0 21.979834 -5.208312 -7.525855 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=214) 0 23.905105 -1.448854 -6.064246 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=214) 0 22.943408 -1.232847 -5.328202 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=215) 0 24.929086 -0.603552 -6.160041 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=215) 0 25.667151 -0.799729 -6.830868 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=215) 0 25.051663 0.619905 -5.365000 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=215) 0 24.522806 0.504114 -4.416145 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=215) 0 26.537353 0.850680 -5.068310 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=215) 0 27.062364 0.874091 -6.021177 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=215) 0 26.655529 1.824502 -4.599297 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=215) 0 27.221486 -0.176676 -4.177677 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=215) 0 26.629956 -0.990756 -3.480291 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=215) 0 28.532770 -0.160590 -4.172548 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=215) 0 29.021048 -0.819021 -3.597855 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=215) 0 29.013438 0.507591 -4.757750 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=215) 0 24.448118 1.823035 -6.116325 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=215) 0 24.734315 2.026981 -7.298693 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=216) 0 23.633458 2.637075 -5.444032 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=216) 0 23.433581 2.421476 -4.472468 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=216) 0 22.872554 3.730992 -6.058707 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=216) 0 22.354352 3.329727 -6.929907 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=216) 0 21.808704 4.215906 -5.072198 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=216) 0 21.152261 3.375818 -4.846191 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=216) 0 22.293544 4.533712 -4.148249 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=216) 0 20.971161 5.358423 -5.600980 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=216) 0 19.833559 5.086979 -6.375649 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=216) 0 19.541452 4.065849 -6.538325 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=216) 0 19.081757 6.134500 -6.932187 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=216) 0 18.207650 5.919265 -7.526094 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=216) 0 19.473732 7.462845 -6.712061 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=216) 0 18.909103 8.280419 -7.132091 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=216) 0 20.611020 7.735088 -5.938630 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=216) 0 20.911318 8.755805 -5.776824 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=216) 0 21.360070 6.689966 -5.378137 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=216) 0 22.242335 6.914891 -4.795382 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=216) 0 23.739227 4.901321 -6.546927 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=216) 0 24.648216 5.358224 -5.849935 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=217) 0 23.402360 5.433727 -7.721742 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=217) 0 22.586152 5.066705 -8.194782 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=217) 0 24.192672 6.419975 -8.465547 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=217) 0 25.165399 6.545603 -7.990205 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=217) 0 24.428065 5.888556 -9.887104 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=217) 0 23.460444 5.681317 -10.339343 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=217) 0 24.918912 6.657137 -10.483723 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=217) 0 25.278398 4.612119 -9.929345 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=217) 0 26.331239 4.889547 -9.867808 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=217) 0 25.049242 3.979283 -9.073089 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=217) 0 25.019608 3.808613 -11.205504 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=217) 0 25.164738 4.379958 -12.310025 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=217) 0 24.684601 2.603849 -11.095049 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=217) 0 23.505799 7.794401 -8.530126 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=217) 0 22.341431 7.903856 -8.937763 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=218) 0 24.247387 8.847156 -8.184426 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=218) 0 25.167089 8.681398 -7.793944 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=218) 0 23.786170 10.233918 -8.257852 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=218) 0 24.645860 10.903582 -8.255724 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=218) 0 23.254289 10.373482 -9.197125 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=218) 0 22.864730 10.645408 -7.110075 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=218) 0 22.922039 10.087040 -6.014988 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=219) 0 22.019203 11.644579 -7.346585 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=219) 0 21.980492 12.033682 -8.283000 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=219) 0 21.146876 12.229154 -6.326468 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=219) 0 21.746615 12.392653 -5.431310 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=219) 0 20.660796 13.596785 -6.803582 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=219) 0 21.543359 14.198045 -7.016207 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=219) 0 20.083652 13.475315 -7.721140 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=219) 0 19.799394 14.329200 -5.767389 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=219) 0 18.770769 13.971736 -5.830330 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=219) 0 20.173806 14.100401 -4.767217 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=219) 0 19.840587 15.846431 -5.974299 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=219) 0 19.907869 16.318258 -7.137102 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=219) 0 19.883276 16.572147 -4.950131 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=219) 0 19.973469 11.315790 -5.956529 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=219) 0 19.211632 10.861780 -6.816971 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=220) 0 19.807666 11.062061 -4.656914 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=220) 0 20.456267 11.487895 -3.999181 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=220) 0 18.752588 10.183705 -4.138709 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=220) 0 18.690977 9.298153 -4.768629 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=220) 0 19.057662 9.715367 -2.705078 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=220) 0 19.017820 10.579545 -2.051301 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=220) 0 18.021954 8.687571 -2.238750 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=220) 0 18.091622 7.794990 -2.859366 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=220) 0 18.207604 8.422241 -1.200722 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=220) 0 17.014423 9.098810 -2.295044 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=220) 0 20.438049 9.065119 -2.554269 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=220) 0 21.219441 9.764594 -2.847100 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=220) 0 20.607762 8.793578 -1.513278 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=220) 0 20.503951 8.171284 -3.170646 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=220) 0 17.407515 10.904963 -4.192714 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=220) 0 17.118838 11.755318 -3.350540 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=221) 0 16.562588 10.536841 -5.152958 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=221) 0 16.876970 9.866910 -5.838435 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=221) 0 15.160590 10.975063 -5.232429 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=221) 0 14.901847 11.442104 -4.291085 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=221) 0 14.897884 12.032476 -6.321769 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=221) 0 14.035776 12.603839 -5.989711 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=221) 0 16.041884 13.016674 -6.553724 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=221) 0 16.912770 12.499166 -6.951685 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=221) 0 15.728423 13.777617 -7.268316 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=221) 0 16.306559 13.498139 -5.612807 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=221) 0 14.554166 11.459958 -7.562031 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=221) 0 13.682262 11.852982 -7.781442 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=221) 0 14.237584 9.774378 -5.410687 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=221) 0 14.691873 8.727919 -5.877008 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=222) 0 12.942516 9.906124 -5.090401 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=222) 0 12.634206 10.771733 -4.655085 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=222) 0 11.934395 8.875359 -5.390415 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=222) 0 12.158826 7.984726 -4.807339 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=222) 0 10.533231 9.383004 -5.000333 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=222) 0 10.510943 9.546367 -3.922614 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=222) 0 10.344166 10.337778 -5.495927 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=222) 0 9.421029 8.388920 -5.390649 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=222) 0 9.420815 8.256406 -6.472402 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=222) 0 9.611595 7.425738 -4.920381 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=222) 0 8.032439 8.888137 -4.981662 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=222) 0 7.957950 8.919940 -3.897418 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=222) 0 7.908168 9.893431 -5.375895 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=222) 0 6.934178 7.976118 -5.543941 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=222) 0 6.959059 8.032258 -6.635983 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=222) 0 7.155274 6.947269 -5.252082 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=222) 0 5.585284 8.356206 -5.054166 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=222) 0 5.383973 9.333232 -5.260505 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=222) 0 4.862143 7.771390 -5.475622 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=222) 0 5.506095 8.219089 -4.049886 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=222) 0 11.993634 8.469980 -6.862872 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=222) 0 12.053787 7.286109 -7.171199 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=223) 0 12.033831 9.447594 -7.762088 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=223) 0 12.054741 10.404453 -7.424076 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=223) 0 12.059557 9.228796 -9.208693 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=223) 0 11.198187 8.619821 -9.488551 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=223) 0 11.957336 10.571319 -9.952947 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=223) 0 12.870020 11.152631 -9.818933 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=223) 0 11.872883 10.343920 -11.013357 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=223) 0 10.734643 11.419381 -9.558461 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=223) 0 10.504969 12.077439 -10.395499 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=223) 0 9.874489 10.759806 -9.424169 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=223) 0 10.913255 12.290585 -8.301094 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=223) 0 11.994732 12.286635 -7.664317 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=223) 0 9.932531 12.979674 -7.919073 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=223) 0 13.318095 8.463703 -9.641205 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=223) 0 13.210518 7.422002 -10.292004 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=224) 0 14.497718 8.919081 -9.203645 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=224) 0 14.509730 9.769558 -8.649011 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=224) 0 15.776461 8.274331 -9.503714 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=224) 0 15.860698 8.141680 -10.584316 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=224) 0 16.923404 9.178802 -9.017304 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=224) 0 16.758121 9.454412 -7.976299 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=224) 0 17.855938 8.621074 -9.084264 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=224) 0 17.126597 10.438149 -9.837305 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=224) 0 16.686911 10.558376 -10.974655 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=224) 0 17.881390 11.377839 -9.319031 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=224) 0 18.043765 12.223913 -9.843419 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=224) 0 18.311757 11.236073 -8.408336 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=224) 0 15.894651 6.875373 -8.878171 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=224) 0 16.545157 6.008128 -9.454927 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=225) 0 15.275241 6.628250 -7.719554 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=225) 0 14.794498 7.396587 -7.261113 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=225) 0 15.245129 5.312096 -7.073669 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=225) 0 16.240300 4.881297 -7.111811 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=225) 0 14.824671 5.466122 -5.607492 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=225) 0 13.982375 6.156366 -5.555582 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=225) 0 14.485168 4.500593 -5.228870 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=225) 0 15.965886 5.964999 -4.709979 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=225) 0 16.473500 6.814702 -5.166127 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=225) 0 15.376832 6.386807 -3.370469 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=225) 0 14.789821 5.565460 -2.966389 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=225) 0 16.167753 6.640805 -2.670312 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=225) 0 14.733393 7.256240 -3.510310 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=225) 0 16.980089 4.853118 -4.434812 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=225) 0 17.336948 4.416753 -5.362802 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=225) 0 17.837393 5.274613 -3.913834 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=225) 0 16.520268 4.068192 -3.836914 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=225) 0 14.326431 4.328916 -7.796821 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=225) 0 14.706006 3.174254 -7.987670 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=226) 0 13.157572 4.786871 -8.247219 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=226) 0 12.894083 5.743900 -8.030440 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=226) 0 12.277600 4.000112 -9.107399 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=226) 0 12.054692 3.053132 -8.616372 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=226) 0 10.961749 4.771580 -9.326390 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=226) 0 11.214363 5.768213 -9.678886 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=226) 0 10.383225 4.274874 -10.106608 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=226) 0 10.070283 4.923120 -8.076264 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=226) 0 10.654716 5.289823 -7.237674 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=226) 0 8.939597 5.914436 -8.353472 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=226) 0 8.319671 5.550431 -9.174842 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=226) 0 8.322644 6.027060 -7.464298 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=226) 0 9.360405 6.882307 -8.624469 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=226) 0 9.439096 3.607828 -7.642826 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=226) 0 10.216538 2.896954 -7.372372 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=226) 0 8.807394 3.773474 -6.771581 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=226) 0 8.829423 3.207924 -8.453711 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=226) 0 12.991749 3.653965 -10.426365 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=226) 0 12.953607 2.500986 -10.845218 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=227) 0 13.715952 4.591761 -11.047820 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=227) 0 13.707663 5.536886 -10.674439 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=227) 0 14.544709 4.305966 -12.232076 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=227) 0 13.923401 3.830252 -12.990271 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=227) 0 15.100105 5.609050 -12.824484 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=227) 0 15.595035 6.186100 -12.042329 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=227) 0 15.845122 5.357768 -13.579635 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=227) 0 14.021465 6.456244 -13.495871 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=227) 0 13.251953 5.914863 -14.326534 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=227) 0 13.936049 7.672348 -13.213479 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=227) 0 15.688895 3.322054 -11.927998 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=227) 0 15.867841 2.334837 -12.635635 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=228) 0 16.430451 3.517502 -10.838737 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=228) 0 16.274586 4.364370 -10.300997 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=228) 0 17.476922 2.594655 -10.381799 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=228) 0 18.267744 2.556934 -11.131231 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=228) 0 18.056139 3.173765 -9.089005 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=228) 0 18.702180 4.011687 -9.350314 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=228) 0 17.237877 3.582272 -8.503684 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=228) 0 18.822876 2.232873 -8.184169 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=228) 0 20.148040 1.869443 -8.487350 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=228) 0 20.601062 2.181003 -9.418223 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=228) 0 20.899682 1.127479 -7.559730 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=228) 0 21.918723 0.849424 -7.788991 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=228) 0 20.341620 0.782756 -6.317593 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=228) 0 20.937037 0.254680 -5.589906 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=228) 0 19.012364 1.126893 -6.020656 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=228) 0 18.583023 0.858252 -5.065866 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=228) 0 18.245512 1.831434 -6.962752 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=228) 0 17.227831 2.110772 -6.724911 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=228) 0 16.962113 1.157562 -10.194968 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=228) 0 17.670249 0.211579 -10.540305 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=229) 0 15.718918 0.986299 -9.736423 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=229) 0 15.214015 1.815454 -9.436168 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=229) 0 15.022969 -0.306652 -9.673272 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=229) 0 15.684217 -1.031758 -9.199736 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=229) 0 13.766904 -0.151045 -8.778866 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=229) 0 13.247628 0.757676 -9.077169 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=229) 0 12.756548 -1.307399 -8.883741 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=229) 0 13.152680 -2.192353 -8.394881 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=229) 0 11.830277 -1.032658 -8.380037 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=229) 0 12.519683 -1.537490 -9.921368 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=229) 0 14.220830 0.002596 -7.307816 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=229) 0 14.558966 -0.960976 -6.927953 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=229) 0 15.062853 0.690682 -7.246350 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=229) 0 13.134019 0.536240 -6.375005 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=229) 0 12.356199 -0.213687 -6.234484 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=229) 0 13.588021 0.762718 -5.410735 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=229) 0 12.700357 1.449292 -6.783868 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=229) 0 14.742130 -0.836271 -11.091770 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=229) 0 15.162058 -1.954102 -11.413984 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=230) 0 14.122753 -0.034131 -11.971902 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=230) 0 13.850244 0.894249 -11.656806 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=230) 0 13.864745 -0.392089 -13.386568 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=230) 0 13.158872 -1.223391 -13.431241 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=230) 0 13.260603 0.807759 -14.141390 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=230) 0 13.944675 1.650088 -14.059506 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=230) 0 13.187086 0.555929 -15.200459 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=230) 0 11.864122 1.233533 -13.656023 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=230) 0 11.141746 0.486232 -13.963154 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=230) 0 11.838619 1.272977 -12.572775 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=230) 0 11.452003 2.591896 -14.246789 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=230) 0 12.334689 3.100875 -14.629770 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=230) 0 10.764273 2.422694 -15.075434 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=230) 0 10.784059 3.507807 -13.217110 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=230) 0 9.780659 3.132500 -12.991267 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=230) 0 11.372938 3.485234 -12.299696 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=230) 0 10.715150 4.899490 -13.720028 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=230) 0 10.094795 4.967315 -14.523123 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=230) 0 10.407408 5.548244 -12.998824 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=230) 0 11.634045 5.235674 -14.009204 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=230) 0 15.131277 -0.845077 -14.127419 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=230) 0 15.046691 -1.726224 -14.980449 L N-N--0.415700(PDBName=N,ResName=HID,ResNum=231) 0 16.295008 -0.289646 -13.787212 L H-H-0.271900(PDBName=H,ResName=HID,ResNum=231) 0 16.248066 0.502266 -13.155135 L C-CT-0.018800(PDBName=CA,ResName=HID,ResNum=231) 0 17.571168 -0.546704 -14.464996 L H-H1-0.088100(PDBName=HA,ResName=HID,ResNum=231) 0 17.355631 -1.009062 -15.429212 L C-CT--0.046200(PDBName=CB,ResName=HID,ResNum=231) 0 18.247489 0.803580 -14.776473 L H-HC-0.040200(PDBName=HB2,ResName=HID,ResNum=231) 0 18.499681 1.301167 -13.838796 L H-HC-0.040200(PDBName=HB3,ResName=HID,ResNum=231) 0 19.173320 0.622046 -15.323231 L C-CC--0.026600(PDBName=CG,ResName=HID,ResNum=231) 0 17.393562 1.728487 -15.616925 L N-NA--0.381100(PDBName=ND1,ResName=HID,ResNum=231) 0 16.879869 1.452926 -16.862390 L H-H-0.364900(PDBName=HD1,ResName=HID,ResNum=231) 0 17.095832 0.638239 -17.433311 L C-CR-0.205700(PDBName=CE1,ResName=HID,ResNum=231) 0 16.137152 2.498894 -17.255077 L H-H5-0.139200(PDBName=HE1,ResName=HID,ResNum=231) 0 15.616992 2.563794 -18.202830 L N-NB--0.572700(PDBName=NE2,ResName=HID,ResNum=231) 0 16.150696 3.466544 -16.319382 L C-CV-0.129200(PDBName=CD2,ResName=HID,ResNum=231) 0 16.968082 2.987354 -15.286504 L H-H4-0.114700(PDBName=HD2,ResName=HID,ResNum=231) 0 17.214308 3.515175 -14.376947 L C-C-0.597300(PDBName=C,ResName=HID,ResNum=231) 0 18.512244 -1.541492 -13.742678 L O-O--0.567900(PDBName=O,ResName=HID,ResNum=231) 0 19.643235 -1.723300 -14.203730 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=232) 0 18.106857 -2.188641 -12.631991 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=232) 0 17.184165 -1.981571 -12.270683 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=232) 0 18.979698 -3.136321 -11.899408 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=232) 0 19.731682 -3.513970 -12.596134 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=232) 0 19.739656 -2.386555 -10.783864 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=232) 0 19.033824 -1.894544 -10.119778 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=232) 0 20.298679 -3.112770 -10.195806 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=232) 0 20.749047 -1.371966 -11.303601 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=232) 0 21.857531 -1.712152 -11.688267 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=232) 0 20.416186 -0.107264 -11.347032 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=232) 0 21.125925 0.542920 -11.668546 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=232) 0 19.489692 0.167484 -11.041733 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=232) 0 18.314385 -4.421222 -11.338371 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=232) 0 19.001577 -5.442935 -11.256612 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=233) 0 17.024501 -4.434823 -10.963437 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=233) 0 16.476327 -3.593169 -11.088478 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=233) 0 16.314953 -5.694730 -10.619231 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=233) 0 17.057075 -6.419295 -10.288905 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=233) 0 15.393165 -5.527269 -9.401127 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=233) 0 14.889888 -6.471994 -9.223572 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=233) 0 16.037179 -5.355734 -8.542002 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=233) 0 14.339419 -4.415741 -9.396285 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=233) 0 13.955344 -4.320766 -8.382998 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=233) 0 14.811861 -3.471203 -9.627334 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=233) 0 13.146309 -4.670391 -10.309018 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=233) 0 12.194956 -5.337944 -9.920830 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=233) 0 13.162439 -4.149572 -11.516093 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=233) 0 13.930561 -3.563830 -11.815182 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=233) 0 12.383341 -4.308972 -12.144149 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=233) 0 15.678182 -6.360206 -11.853821 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=233) 0 16.057511 -6.003324 -12.960008 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=234) 0 14.804200 -7.365986 -11.715137 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=234) 0 14.534164 -7.674462 -10.792027 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=234) 0 14.079569 -7.977809 -12.843838 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=234) 0 13.807416 -7.182299 -13.536902 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=234) 0 15.008433 -8.986704 -13.561490 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=234) 0 16.007083 -8.563406 -13.666053 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=234) 0 15.086563 -9.871646 -12.930715 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=234) 0 14.534644 -9.435918 -14.956779 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=234) 0 13.474084 -9.648838 -14.933840 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=234) 0 14.781646 -8.374402 -16.027911 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=234) 0 15.849107 -8.224710 -16.170985 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=234) 0 14.340503 -8.702736 -16.969081 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=234) 0 14.319719 -7.430292 -15.742335 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=234) 0 15.277839 -10.704574 -15.376094 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=234) 0 15.047013 -11.505201 -14.671685 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=234) 0 14.939341 -11.016033 -16.364325 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=234) 0 16.353022 -10.532358 -15.391756 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=234) 0 12.804516 -8.703746 -12.348498 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=234) 0 12.885756 -9.376562 -11.317251 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=235) 0 11.659533 -8.614356 -13.055202 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=235) 0 11.372681 -7.666498 -14.127007 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=235) 0 12.124523 -7.704103 -14.913963 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=235) 0 11.313227 -6.659464 -13.711399 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=235) 0 10.012529 -8.068291 -14.697752 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=235) 0 10.152230 -8.779839 -15.513326 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=235) 0 9.442260 -7.204334 -15.037754 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=235) 0 9.339365 -8.764132 -13.516652 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=235) 0 8.542397 -9.435381 -13.840016 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=235) 0 8.949149 -8.022286 -12.826057 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=235) 0 10.504478 -9.495564 -12.849317 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=235) 0 10.298213 -9.615452 -11.785480 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=235) 0 10.702855 -10.886829 -13.477573 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=235) 0 11.640849 -11.107028 -14.239822 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=236) 0 9.786480 -11.816167 -13.193780 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=236) 0 8.997572 -11.553681 -12.622241 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=236) 0 9.700812 -13.133131 -13.837436 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=236) 0 10.418186 -13.190623 -14.656840 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=236) 0 10.010641 -14.261115 -12.829916 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=236) 0 9.346362 -14.159898 -11.970566 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=236) 0 9.748659 -15.203791 -13.313168 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=236) 0 11.457143 -14.425500 -12.319687 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=236) 0 11.486516 -15.389015 -11.815515 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=236) 0 12.492679 -14.484929 -13.443139 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=236) 0 12.582421 -13.514774 -13.929901 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=236) 0 13.461447 -14.762506 -13.028073 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=236) 0 12.194117 -15.233467 -14.176731 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=236) 0 11.888869 -13.374174 -11.291910 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=236) 0 11.139716 -13.302341 -10.504449 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=236) 0 12.839728 -13.668194 -10.849909 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=236) 0 12.026153 -12.405694 -11.764932 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=236) 0 8.306776 -13.327254 -14.459836 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=236) 0 7.329462 -12.757888 -13.967792 L N-N--0.382100(PDBName=N,ResName=VAL,ResNum=237) 0 8.233837 -14.128029 -15.528944 L H-H-0.268100(PDBName=H,ResName=VAL,ResNum=237) 0 9.074409 -14.591103 -15.852946 L C-CT--0.343800(PDBName=CA,ResName=VAL,ResNum=237) 0 7.021815 -14.519347 -16.276134 L H-H1-0.143800(PDBName=HA,ResName=VAL,ResNum=237) 0 6.211645 -14.692352 -15.571954 L C-CT-0.194000(PDBName=CB,ResName=VAL,ResNum=237) 0 6.600086 -13.394088 -17.240957 L H-HC-0.030800(PDBName=HB,ResName=VAL,ResNum=237) 0 6.503147 -12.477900 -16.655382 L C-CT--0.306400(PDBName=CG1,ResName=VAL,ResNum=237) 0 7.621574 -13.126435 -18.354016 L H-HC-0.083600(PDBName=HG11,ResName=VAL,ResNum=237) 0 7.292852 -12.287604 -18.965097 L H-HC-0.083600(PDBName=HG12,ResName=VAL,ResNum=237) 0 8.590278 -12.889591 -17.916005 L H-HC-0.083600(PDBName=HG13,ResName=VAL,ResNum=237) 0 7.727955 -14.012533 -18.980902 L C-CT--0.306400(PDBName=CG2,ResName=VAL,ResNum=237) 0 5.230156 -13.668617 -17.868089 L H-HC-0.083600(PDBName=HG21,ResName=VAL,ResNum=237) 0 4.503277 -13.859529 -17.079087 L H-HC-0.083600(PDBName=HG22,ResName=VAL,ResNum=237) 0 4.909965 -12.807957 -18.452839 L H-HC-0.083600(PDBName=HG23,ResName=VAL,ResNum=237) 0 5.285399 -14.546083 -18.513495 L C-C-0.835000(PDBName=C,ResName=VAL,ResNum=237) 0 7.250319 -15.856831 -16.985002 L O-O2--0.817300(PDBName=O,ResName=VAL,ResNum=237) 0 6.258077 -16.598884 -17.139113 L O-O2--0.817300(PDBName=OXT,ResName=VAL,ResNum=237) 0 8.427728 -16.127439 -17.315748 L C-C-1.004947(PDBName=C18,ResName=GDS,ResNum=238) 0 -24.752461 -15.814241 -11.271282 L H-H1 94 0.0000 O-O2--0.856478(PDBName=O5,ResName=GDS,ResNum=238) 0 -24.294234 -14.881268 -11.955933 L O-O2--0.856478(PDBName=O6,ResName=GDS,ResNum=238) 0 -25.355808 -15.745645 -10.183723 L C-CT-0.021774(PDBName=C10,ResName=GDS,ResNum=238) 0 -24.313951 -20.997464 -5.840345 L H-HC 101 0.0000 C-CT-0.090430(PDBName=C6,ResName=GDS,ResNum=238) 0 -25.055660 -22.237342 -5.346505 L C-C-0.795436(PDBName=C20,ResName=GDS,ResNum=238) 0 -24.194682 -22.931381 -4.270825 L O-O2--0.768529(PDBName=O7,ResName=GDS,ResNum=238) 0 -24.634738 -23.028136 -3.106438 L O-O2--0.768529(PDBName=O8,ResName=GDS,ResNum=238) 0 -23.075635 -23.395016 -4.590408 L N-N3--0.516764(PDBName=N6,ResName=GDS,ResNum=238) 0 -26.423408 -21.847182 -4.895605 L H-H-0.336685(PDBName=H23,ResName=GDS,ResNum=238) 0 -26.938530 -22.639842 -4.523997 L H-H-0.336685(PDBName=H24,ResName=GDS,ResNum=238) 0 -26.384112 -21.142749 -4.162106 L H-H-0.336685(PDBName=H26,ResName=GDS,ResNum=238) 0 -26.948564 -21.458096 -5.676023 L H-HP-0.075961(PDBName=H8,ResName=GDS,ResNum=238) 0 -25.154871 -22.931816 -6.180724 L H-HC-0.040870(PDBName=H15,ResName=GDS,ResNum=238) 0 -25.047200 -20.249464 -6.152429 L H-HC-0.040870(PDBName=H16,ResName=GDS,ResNum=238) 0 -23.753696 -20.597831 -5.001280 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=239) -1 -7.704366 -11.080786 -4.898466 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=239) -1 -7.279371 -10.408567 -5.505695 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=239) -1 -7.118768 -10.953014 -4.121394 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=240) -1 -6.199035 5.325355 9.696136 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=240) -1 -5.374681 5.716994 9.328731 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=240) -1 -5.966408 4.369155 9.620371 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=242) -1 17.171623 -10.483717 -2.554038 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=242) -1 16.256006 -10.807950 -2.689342 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=242) -1 17.206305 -10.498063 -1.572936 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=243) -1 -3.662586 4.621532 2.014466 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=243) -1 -4.055760 5.498946 2.236109 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=243) -1 -4.132872 4.067781 2.670791 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=244) -1 31.519817 -1.651271 15.005601 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=244) -1 30.639897 -1.773008 14.576777 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=244) -1 32.015144 -1.240625 14.266204 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=245) -1 -1.391296 3.779543 15.198331 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=245) -1 -1.376017 3.441146 14.264707 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=245) -1 -1.056488 2.974372 15.649676 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=246) -1 -11.276664 -21.031215 -0.506755 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=246) -1 -11.185497 -20.284555 0.121837 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=246) -1 -11.856817 -20.622800 -1.188276 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=248) -1 -12.776825 -22.763876 -3.052436 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=248) -1 -11.812157 -22.953215 -3.068328 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=248) -1 -12.747587 -21.806523 -2.802983 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=250) -1 -9.316914 -13.293708 -4.532405 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=250) -1 -8.756015 -12.513540 -4.725243 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=250) -1 -10.207536 -12.916298 -4.611804 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=251) -1 -15.488814 -11.555341 -11.580279 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=251) -1 -15.766763 -12.378639 -12.085706 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=251) -1 -16.180632 -11.569378 -10.894123 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=253) -1 -9.424578 -20.126954 -2.308864 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=253) -1 -9.218503 -19.291985 -1.830459 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=253) -1 -9.946579 -20.590346 -1.615573 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=255) -1 -14.268362 -9.798540 -13.107874 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=255) -1 -13.348592 -9.925316 -12.776912 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=255) -1 -14.715659 -10.495504 -12.545673 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=257) -1 -24.915129 -14.386024 -14.374206 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=257) -1 -24.256626 -13.649089 -14.492710 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=257) -1 -24.681226 -14.611498 -13.425635 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=258) -1 -14.554582 -24.716895 -2.992852 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=258) -1 -13.928509 -23.949555 -3.077033 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=258) -1 -15.237711 -24.421716 -3.645515 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=259) -1 -21.633208 -15.177710 -11.977800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=259) -1 -22.599024 -15.005349 -12.023281 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=259) -1 -21.304321 -14.547649 -12.644717 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=260) -1 -22.884201 -23.899979 -1.394737 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=260) -1 -22.602700 -24.698886 -1.900929 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=260) -1 -23.550425 -23.547068 -2.049461 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=261) -1 -21.175557 -11.438694 -12.418369 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=261) -1 -20.328638 -11.054454 -12.102639 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=261) -1 -20.838040 -12.239917 -12.872955 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=262) -1 -25.702229 -13.098480 -10.805592 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=262) -1 -25.177123 -13.702306 -11.401487 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=262) -1 -25.551139 -13.578356 -9.960696 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=263) -1 -27.538997 -14.900108 -14.451479 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=263) -1 -26.566101 -14.707705 -14.403119 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=263) -1 -27.866459 -14.029241 -14.726883 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=264) -1 -17.995747 -12.544677 -14.454762 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=264) -1 -17.615159 -11.630161 -14.465516 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=264) -1 -17.367970 -12.948734 -13.791734 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=266) -1 -28.437924 -13.497151 -10.656571 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=266) -1 -27.547543 -13.122346 -10.848261 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=266) -1 -28.196231 -14.450420 -10.589371 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=267) -1 -29.555864 -16.059964 -8.442758 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=267) -1 -30.338664 -15.777619 -8.976184 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=267) -1 -28.877143 -16.032509 -9.165919 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=269) -1 -19.032917 -16.771596 6.810695 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=269) -1 -19.603490 -17.512573 6.566905 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=269) -1 -19.211708 -16.135931 6.092475 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=270) -1 7.606827 -2.906223 -12.459457 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=270) -1 8.031540 -3.000216 -11.576365 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=270) -1 7.639084 -3.846511 -12.752920 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=271) -1 -20.017148 -18.735657 3.059674 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=271) -1 -20.985365 -18.654787 2.991078 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=271) -1 -19.747475 -18.546090 2.136775 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=272) -1 30.238960 11.862514 -2.438025 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=272) -1 29.949294 12.259567 -3.298737 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=272) -1 29.365356 11.857653 -1.979288 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=273) -1 -16.243938 -16.661164 -16.830050 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=273) -1 -16.014741 -16.487891 -17.756421 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=273) -1 -16.721574 -15.813293 -16.616402 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=274) -1 25.217116 -4.572990 -12.743110 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=274) -1 25.152339 -5.397027 -12.206170 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=274) -1 24.276594 -4.305867 -12.756500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=275) -1 -13.160391 27.092887 2.666758 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=275) -1 -12.396617 26.494360 2.514298 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=275) -1 -13.148126 27.131918 3.650079 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=276) -1 20.213003 -16.481947 -0.291751 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=276) -1 19.305523 -16.295405 0.080605 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=276) -1 20.747505 -16.199935 0.476886 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=277) -1 0.310296 -14.835003 -9.738907 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=277) -1 0.407596 -14.999289 -8.763316 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=277) -1 1.127766 -14.342299 -9.905252 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=278) -1 -27.609285 -10.264087 -8.470869 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=278) -1 -26.879408 -10.250914 -9.124275 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=278) -1 -27.673436 -9.301213 -8.268051 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=279) -1 25.574507 -9.778670 -16.699195 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=279) -1 24.861930 -9.099179 -16.638324 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=279) -1 25.053398 -10.571300 -16.410711 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=280) -1 19.775117 8.137187 -14.886585 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=280) -1 19.840821 9.130783 -14.905433 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=280) -1 19.971758 7.940976 -15.815773 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=281) -1 2.097238 -1.363881 -8.206665 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=281) -1 3.026960 -1.135998 -7.955585 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=281) -1 1.685893 -0.470616 -8.090633 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=282) -1 -21.043628 -3.251222 -17.637396 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=282) -1 -21.685819 -3.691577 -17.017487 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=282) -1 -21.361079 -3.599504 -18.482723 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=283) -1 -23.673134 23.129809 -4.692267 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=283) -1 -23.259052 23.096965 -5.579987 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=283) -1 -24.607074 22.941322 -4.929205 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=284) -1 -7.578315 -18.667936 11.431051 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=284) -1 -8.566563 -18.732095 11.381355 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=284) -1 -7.497626 -17.729862 11.723580 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=285) -1 -23.351475 21.610571 10.081437 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=285) -1 -23.108517 20.952243 9.387455 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=285) -1 -24.016850 21.115097 10.576132 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=286) -1 1.961173 8.640694 7.672304 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=286) -1 2.154610 8.171332 8.498582 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=286) -1 2.479136 8.090392 7.034182 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=287) -1 21.853299 12.565383 -2.920735 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=287) -1 22.027934 12.175392 -2.028145 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=287) -1 21.701915 13.501898 -2.650791 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=288) -1 -13.725752 24.025733 -16.103629 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=288) -1 -13.218496 23.530962 -16.762735 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=288) -1 -14.605222 24.080249 -16.547671 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=289) -1 -15.205335 17.109783 2.541415 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=289) -1 -15.973466 16.693590 3.006175 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=289) -1 -14.654221 17.342287 3.326136 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=291) -1 10.090311 19.466339 16.561228 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=291) -1 10.785609 19.277712 15.886409 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=291) -1 9.686094 18.595573 16.650371 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=292) -1 26.793506 1.442072 -9.853894 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=292) -1 27.478123 2.122826 -10.025436 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=292) -1 26.064894 1.781738 -10.421091 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=293) -1 -13.578973 7.154952 -12.248010 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=293) -1 -13.038668 6.557664 -12.816259 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=293) -1 -12.999844 7.179517 -11.446764 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=294) -1 -21.391794 -6.616894 15.729322 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=294) -1 -21.387204 -6.696269 14.743123 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=294) -1 -20.550973 -7.092250 15.924995 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=295) -1 -10.827575 15.164412 -6.458961 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=295) -1 -11.453725 14.770311 -7.120797 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=295) -1 -10.296944 14.348857 -6.266284 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=296) -1 -21.688391 2.306359 -11.400403 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=296) -1 -20.902300 2.515644 -11.965071 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=296) -1 -21.235544 1.859353 -10.651418 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=297) -1 -13.761656 8.966118 13.312700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=297) -1 -14.387494 8.208059 13.386837 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=297) -1 -12.908322 8.471980 13.315004 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=298) -1 35.145914 -0.396113 11.409045 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=298) -1 35.085913 -0.498659 10.417394 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=298) -1 35.956120 -0.903893 11.572046 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=299) -1 19.313412 13.492799 -11.064951 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=299) -1 19.171152 14.188732 -11.725700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=299) -1 19.217294 12.688232 -11.630549 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=301) -1 26.191142 -7.894388 -13.464916 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=301) -1 25.633527 -7.532745 -12.727407 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=301) -1 25.906506 -7.274468 -14.179620 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=302) -1 -10.156646 4.102953 15.247552 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=302) -1 -9.440787 3.896804 14.596500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=302) -1 -10.813063 4.506189 14.626979 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=303) -1 18.545442 3.155294 -22.731443 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=303) -1 18.738194 2.625163 -21.936945 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=303) -1 17.606172 3.380074 -22.579471 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=304) -1 -21.006578 13.103109 12.710282 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=304) -1 -21.408763 13.270167 11.814856 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=304) -1 -21.748827 13.360585 13.276551 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=305) -1 -18.961541 1.342745 10.626619 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=305) -1 -19.704599 1.963279 10.539606 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=305) -1 -18.213051 1.962325 10.743761 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=306) -1 7.365413 -3.551984 5.147307 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=306) -1 8.228364 -3.594538 4.683865 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=306) -1 6.776476 -3.404174 4.368524 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=307) -1 4.937376 -10.531117 10.914424 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=307) -1 4.398375 -9.704869 10.914678 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=307) -1 5.758864 -10.165531 10.488729 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=308) -1 12.540324 13.720946 -11.491062 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=308) -1 12.567646 13.017913 -12.180111 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=308) -1 13.474641 13.783699 -11.253858 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=309) -1 -10.282739 19.314183 -11.189273 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=309) -1 -10.399671 18.844734 -12.050694 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=309) -1 -10.240932 18.527811 -10.590646 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=310) -1 -10.542301 -1.072279 11.168741 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=310) -1 -10.910496 -1.706462 11.815820 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=310) -1 -9.778925 -0.722997 11.681498 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=311) -1 23.882010 15.425441 -6.553313 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=311) -1 23.522645 16.265430 -6.937760 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=311) -1 23.451335 15.498888 -5.656935 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=312) -1 -11.814813 14.430697 -0.417251 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=312) -1 -12.517871 15.009326 -0.021635 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=312) -1 -12.387079 13.643300 -0.616755 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=313) -1 0.379540 -3.760023 14.630412 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=313) -1 0.543145 -4.334030 15.413522 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=313) -1 1.276952 -3.370569 14.523069 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=314) -1 -26.160185 -7.808711 -10.440970 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=314) -1 -26.656945 -7.739857 -9.599612 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=314) -1 -25.901723 -8.752778 -10.418451 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=315) -1 -19.349017 14.449323 -2.569755 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=315) -1 -19.577320 13.558389 -2.940151 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=315) -1 -18.965493 14.850635 -3.387416 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=316) -1 19.643120 -18.776559 -1.598283 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=316) -1 19.876937 -17.947852 -1.115297 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=316) -1 20.314578 -19.381879 -1.254950 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=317) -1 -21.914656 -16.786607 5.472680 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=317) -1 -21.207723 -16.168987 5.203170 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=317) -1 -22.224395 -16.382863 6.294979 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=318) -1 -13.605104 5.188409 11.427507 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=318) -1 -13.308128 6.007400 10.957238 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=318) -1 -14.246817 4.846806 10.746762 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=319) -1 29.228251 12.993160 -4.756923 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=319) -1 30.075290 13.019732 -5.270399 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=319) -1 28.624361 12.693724 -5.477626 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=320) -1 -18.348128 26.267364 3.075320 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=320) -1 -18.241483 25.307046 2.926161 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=320) -1 -17.443803 26.512787 3.359882 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=321) -1 -20.247387 29.147938 -3.458945 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=321) -1 -20.022336 29.399870 -4.384410 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=321) -1 -20.473702 30.009782 -3.084510 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=322) -1 23.776750 6.356816 -13.228188 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=322) -1 24.362900 5.594037 -12.949549 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=322) -1 22.910284 5.956878 -12.979220 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=323) -1 25.120542 -13.997895 -14.143511 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=323) -1 24.183441 -14.093093 -13.836539 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=323) -1 25.333502 -14.922771 -14.336386 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=324) -1 15.885319 9.379368 -13.414600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=324) -1 15.987603 9.785149 -12.533973 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=324) -1 15.135414 8.756594 -13.234138 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=325) -1 -27.891365 -14.963449 -1.101221 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=325) -1 -27.672125 -14.063755 -0.751062 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=325) -1 -28.879497 -14.879752 -1.118732 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=326) -1 12.346979 14.451556 -6.174982 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=326) -1 11.392891 14.480413 -5.905340 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=326) -1 12.293999 13.654137 -6.771385 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=327) -1 -25.844795 2.158601 -3.859518 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=327) -1 -26.379472 1.444227 -3.444679 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=327) -1 -26.391686 2.336629 -4.654618 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=328) -1 14.781995 15.923436 -5.637870 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=328) -1 15.242024 15.595363 -4.834802 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=328) -1 14.106960 15.230123 -5.759545 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=329) -1 3.007555 -2.847512 -4.217638 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=329) -1 3.828540 -2.921379 -4.776198 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=329) -1 3.090839 -1.890701 -3.976273 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=330) -1 11.836148 16.956566 -7.258003 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=330) -1 12.211863 16.152710 -6.845604 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=330) -1 12.317231 17.650065 -6.756038 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=331) -1 -6.628112 11.400054 16.655438 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=331) -1 -6.992397 10.669146 16.100956 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=331) -1 -5.875901 10.956123 17.067960 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=332) -1 -1.542816 -16.167387 -4.280066 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=332) -1 -2.483392 -16.439793 -4.330754 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=332) -1 -1.186124 -16.669757 -5.051605 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=333) -1 0.679252 -10.671048 14.165959 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=333) -1 0.760142 -11.649435 14.168705 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=333) -1 1.594331 -10.407096 14.000513 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=334) -1 -24.106578 7.663973 5.389011 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=334) -1 -24.187537 6.905135 5.990558 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=334) -1 -23.210717 7.467449 4.998203 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=335) -1 3.185708 6.169158 -2.159923 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=335) -1 4.071975 6.587058 -2.302576 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=335) -1 3.477288 5.238392 -2.025068 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=336) -1 31.803529 10.783859 2.747569 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=336) -1 31.005995 11.168965 3.129229 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=336) -1 31.694831 11.002505 1.799214 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=337) -1 -15.265712 32.345687 -1.951754 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=337) -1 -15.125644 33.176820 -1.476816 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=337) -1 -15.434993 31.734104 -1.191798 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=338) -1 7.539991 11.656077 -7.572693 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=338) -1 8.436537 12.049965 -7.470928 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=338) -1 7.296476 12.038295 -8.443697 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=339) -1 9.116522 -0.990384 -13.630737 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=339) -1 9.461395 -0.795810 -12.726686 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=339) -1 8.504647 -1.733250 -13.403733 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=340) -1 14.138266 18.338570 -2.807457 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=340) -1 15.022922 18.032100 -2.517649 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=340) -1 13.575634 17.649418 -2.374536 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=341) -1 9.715299 14.321280 -5.647051 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=341) -1 9.714673 13.756997 -6.461117 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=341) -1 8.744516 14.463739 -5.556769 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=342) -1 -24.405125 14.203867 2.755792 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=342) -1 -24.697935 13.431233 3.296124 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=342) -1 -23.852761 13.717138 2.087421 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=343) -1 -2.487874 -5.162578 19.174962 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=343) -1 -3.248357 -5.520548 19.674976 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=343) -1 -2.484236 -4.239085 19.505176 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=344) -1 -8.785885 20.939363 4.835578 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=344) -1 -9.454816 20.274474 4.534790 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=344) -1 -9.048169 21.000493 5.784292 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=345) -1 -12.452922 -26.411947 -3.372851 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=345) -1 -13.250307 -25.828151 -3.346055 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=345) -1 -12.798917 -27.161815 -2.832170 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=346) -1 -10.880838 -16.346828 17.320966 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=346) -1 -10.597682 -16.398424 16.364467 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=346) -1 -11.598267 -17.025099 17.284023 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=347) -1 27.440249 7.624209 -8.243623 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=347) -1 27.587788 8.579293 -8.085956 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=347) -1 27.444735 7.606411 -9.222442 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=348) -1 -15.761342 -21.497497 2.854200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=348) -1 -15.296171 -21.411667 3.714115 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=348) -1 -16.664710 -21.224831 3.118266 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=349) -1 15.844652 1.400138 -20.487319 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=349) -1 15.657937 2.152632 -21.080395 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=349) -1 14.953978 1.191176 -20.152148 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=350) -1 20.096727 1.940501 14.310081 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=350) -1 20.601739 2.781110 14.411064 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=350) -1 20.605372 1.369295 14.929601 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=351) -1 25.149940 -14.832067 -9.525331 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=351) -1 24.440557 -15.245950 -10.069714 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=351) -1 25.031928 -13.895767 -9.773651 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=352) -1 -12.240499 3.311498 20.787457 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=352) -1 -11.429444 2.754243 20.743331 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=352) -1 -11.912652 4.072433 21.287314 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=353) -1 3.828472 -13.622226 -3.252745 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=353) -1 4.646624 -13.280244 -2.822733 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=353) -1 3.180988 -13.440409 -2.534962 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=354) -1 -11.885929 3.717960 -15.812964 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=354) -1 -12.273959 3.618424 -16.694490 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=354) -1 -11.700678 2.775820 -15.587911 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=355) -1 -20.959379 -6.849491 13.042593 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=355) -1 -19.980683 -6.757352 13.132144 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=355) -1 -21.106360 -6.149730 12.345188 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=356) -1 -26.361120 -28.771652 -5.210390 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=356) -1 -26.555915 -28.534944 -4.283734 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=356) -1 -25.535896 -28.265856 -5.351708 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=357) -1 -11.848805 -25.603718 0.213117 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=357) -1 -12.807535 -25.634766 -0.009287 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=357) -1 -11.787821 -26.312805 0.868156 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=358) -1 -9.304625 -6.836515 20.140217 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=358) -1 -8.562856 -7.415531 20.412521 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=358) -1 -9.180864 -6.094010 20.776070 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=359) -1 -8.172318 16.310273 -0.862332 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=359) -1 -8.319152 15.725214 -0.082545 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=359) -1 -8.761157 15.848733 -1.508343 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=360) -1 -13.004193 29.490424 -6.789609 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=360) -1 -12.761295 28.713589 -7.355560 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=360) -1 -12.297190 29.370672 -6.096666 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=361) -1 -4.353613 -16.535558 -4.786603 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=361) -1 -4.348662 -15.741715 -4.200662 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=361) -1 -5.154838 -16.987611 -4.419779 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=362) -1 12.629321 15.398311 7.521426 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=362) -1 12.544079 16.316336 7.181628 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=362) -1 13.545940 15.197370 7.250066 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=363) -1 8.686732 -2.662206 -16.797922 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=363) -1 8.795763 -3.308431 -16.049991 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=363) -1 8.349498 -3.258019 -17.483850 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=364) -1 -21.800512 -1.755114 -14.089457 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=364) -1 -22.226104 -0.928542 -13.748396 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=364) -1 -22.558620 -2.378724 -13.957366 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=365) -1 33.385778 -4.619597 6.196041 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=365) -1 32.454903 -4.295307 6.182195 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=365) -1 33.603927 -4.479105 5.239690 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=366) -1 -24.351798 5.912144 -4.719898 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=366) -1 -25.145066 5.584198 -5.194609 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=366) -1 -24.236287 5.189174 -4.061941 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=367) -1 7.317877 15.391650 -7.933582 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=367) -1 8.172699 15.814219 -8.168845 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=367) -1 7.267466 14.716852 -8.645651 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=368) -1 -13.839671 -27.898805 -1.513262 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=368) -1 -14.587652 -28.488488 -1.369311 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=368) -1 -14.136932 -27.086077 -1.050095 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=369) -1 -3.132956 -5.766599 -13.423570 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=369) -1 -3.179577 -6.627532 -13.858891 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=369) -1 -4.069521 -5.474924 -13.473902 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=370) -1 -0.767912 6.489796 -7.327842 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=370) -1 -0.211675 6.477218 -8.124579 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=370) -1 -0.062924 6.375051 -6.633853 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=371) -1 -22.585054 -4.467326 -15.874219 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=371) -1 -21.948740 -4.928720 -15.283065 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=371) -1 -23.206250 -4.111931 -15.200104 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=372) -1 31.325302 -3.385605 17.185659 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=372) -1 31.611843 -2.886812 16.392864 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=372) -1 30.421812 -3.026415 17.298052 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=374) -1 5.739058 -12.971004 11.892034 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=374) -1 4.916008 -13.183838 12.383966 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=374) -1 5.597862 -12.010351 11.739621 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=375) -1 9.577503 13.610949 2.279189 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=375) -1 10.296365 14.192989 2.637040 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=375) -1 8.814667 14.200599 2.383913 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=376) -1 16.282718 12.978049 14.273652 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=376) -1 15.581173 12.894778 13.574323 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=376) -1 16.738665 12.118022 14.126156 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=377) -1 -29.323111 -16.147460 -12.771159 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=377) -1 -28.738186 -16.140791 -11.981777 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=377) -1 -28.737003 -15.691271 -13.416733 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=378) -1 -8.253685 -18.660625 -5.637118 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=378) -1 -8.919567 -18.017744 -5.963216 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=378) -1 -8.482546 -19.439448 -6.195205 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=379) -1 -19.958865 12.246556 -4.032990 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=379) -1 -20.329721 11.346136 -4.189564 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=379) -1 -19.121375 12.165208 -4.548790 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=380) -1 3.409097 3.774409 -6.503411 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=380) -1 3.717571 2.909621 -6.181431 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=380) -1 2.514100 3.807213 -6.075780 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=381) -1 -14.323031 18.313727 9.382761 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=381) -1 -14.626297 19.079171 8.846361 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=381) -1 -15.190728 18.057831 9.795081 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=382) -1 34.400889 -3.052636 -1.832506 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=382) -1 34.145454 -3.999999 -1.759664 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=382) -1 34.070227 -2.836705 -2.712873 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=383) -1 -12.259902 -5.961979 -13.230209 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=383) -1 -12.476709 -6.604741 -13.943392 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=383) -1 -13.169556 -5.739977 -12.932840 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=384) -1 -7.389604 -8.712827 20.889976 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=384) -1 -7.381558 -8.845572 21.853114 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=384) -1 -6.453515 -8.387439 20.768393 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=385) -1 11.852062 18.532312 14.733082 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=385) -1 11.731869 17.601170 14.405074 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=385) -1 12.677195 18.760832 14.282785 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=386) -1 35.526534 0.588827 1.303013 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=386) -1 34.906035 1.034042 0.680513 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=386) -1 35.753198 -0.204128 0.755376 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=387) -1 -18.666953 16.883952 8.881056 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=387) -1 -18.585959 16.634798 7.939282 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=387) -1 -19.639096 17.043539 8.933066 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=388) -1 -21.705556 23.681220 9.610264 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=388) -1 -22.327172 22.927839 9.766858 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=388) -1 -21.849699 24.200606 10.411193 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=389) -1 13.178157 10.142970 15.560358 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=389) -1 13.766527 10.035832 14.773362 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=389) -1 13.582614 10.962070 15.941276 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=390) -1 -19.167804 -5.017324 -11.800305 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=390) -1 -19.749437 -5.066921 -11.005863 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=390) -1 -19.252799 -4.054440 -11.998356 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=391) -1 1.064176 10.875910 0.543373 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=391) -1 1.976680 10.520089 0.357881 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=391) -1 0.813625 10.246918 1.264601 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=392) -1 -4.651029 6.754421 17.792024 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=392) -1 -3.889759 7.322978 17.989331 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=392) -1 -4.176277 6.003639 17.332238 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=393) -1 -12.220205 0.341539 19.186278 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=393) -1 -12.479989 1.082555 18.598272 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=393) -1 -12.556883 -0.417748 18.643100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=394) -1 -10.508083 28.765719 -13.894004 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=394) -1 -10.007665 29.590948 -13.918709 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=394) -1 -11.393274 29.088658 -13.610677 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=395) -1 -31.561364 -22.502596 -4.756657 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=395) -1 -31.125804 -22.369456 -3.884611 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=395) -1 -31.226838 -23.407200 -4.965313 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=396) -1 20.479005 -2.754899 -16.609696 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=396) -1 19.803672 -3.456156 -16.787369 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=396) -1 20.246181 -2.537526 -15.682750 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=397) -1 -2.433716 -8.144535 16.786365 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=397) -1 -3.414072 -8.018055 16.832687 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=397) -1 -2.387978 -8.954692 16.238947 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=398) -1 8.304756 6.557915 7.841487 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=398) -1 7.793742 6.239399 8.634173 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=398) -1 8.336885 7.506604 8.037276 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=399) -1 -3.638074 -14.220920 -12.662723 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=399) -1 -4.388014 -13.863701 -13.200284 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=399) -1 -3.578115 -15.121474 -13.045238 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=400) -1 -24.102749 1.034726 1.812398 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=400) -1 -24.178046 0.139112 1.410420 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=400) -1 -23.892126 0.772060 2.744149 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=401) -1 -14.426880 -15.966362 15.546983 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=401) -1 -15.391716 -16.062216 15.539939 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=401) -1 -14.301026 -15.567741 16.449016 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=402) -1 26.492267 5.599472 -3.928194 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=402) -1 27.143008 5.761372 -4.664658 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=402) -1 25.697745 5.421894 -4.490895 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=403) -1 -4.453128 -1.518620 22.574299 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=403) -1 -4.001700 -1.310271 23.407321 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=403) -1 -5.044819 -0.718209 22.503092 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=404) -1 -30.552270 -14.986950 -1.453987 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=404) -1 -30.750745 -14.602200 -2.335405 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=404) -1 -31.078607 -15.810181 -1.497801 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=405) -1 -0.044806 -15.390564 2.146233 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=405) -1 -0.290811 -15.537048 3.087221 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=405) -1 -0.862209 -14.940193 1.827801 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=406) -1 -23.179969 20.349300 4.264060 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=406) -1 -23.237987 19.587901 4.881227 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=406) -1 -22.965373 19.877249 3.428064 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=407) -1 -14.647420 -17.663148 9.577036 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=407) -1 -15.349658 -17.286633 9.000482 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=407) -1 -14.550155 -16.901886 10.211335 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=408) -1 12.796127 5.791763 -18.852296 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=408) -1 13.179463 5.525207 -17.986834 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=408) -1 12.664060 4.905370 -19.253452 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=409) -1 6.777956 -5.668688 1.165272 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=409) -1 7.376261 -6.319571 0.707964 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=409) -1 6.431786 -5.220691 0.346656 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=410) -1 16.790809 20.146089 3.269227 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=410) -1 16.214619 20.245967 2.465597 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=410) -1 17.159023 19.244577 3.050782 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=411) -1 10.906295 -1.535215 -15.639300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=411) -1 10.320996 -1.273668 -14.886096 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=411) -1 10.223714 -1.940443 -16.225444 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=412) -1 8.483487 -7.125931 -7.181091 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=412) -1 9.442612 -6.893071 -7.222712 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=412) -1 8.328399 -6.994185 -6.217195 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=413) -1 -26.685819 1.861456 2.136407 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=413) -1 -26.814272 1.222552 2.881665 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=413) -1 -25.742136 1.658440 1.928864 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=414) -1 10.076042 4.986533 11.463884 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=414) -1 10.431271 5.323602 10.615744 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=414) -1 10.624399 5.488475 12.101094 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=415) -1 22.456319 15.882949 -4.333824 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=415) -1 21.601199 16.323831 -4.538051 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=415) -1 22.280620 15.587567 -3.416877 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=416) -1 -22.193512 -25.596111 -3.449038 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=416) -1 -22.541185 -24.791604 -3.910921 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=416) -1 -21.284686 -25.607521 -3.800708 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=417) -1 20.961569 -17.816891 -13.918191 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=417) -1 20.039451 -17.925354 -14.238763 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=417) -1 21.100299 -16.876619 -14.224950 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=418) -1 24.215777 19.855893 -10.936778 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=418) -1 24.229039 18.913847 -10.644211 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=418) -1 23.544871 20.218128 -10.346087 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=419) -1 -21.298803 -7.680510 -11.033631 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=419) -1 -20.353821 -7.836955 -11.263732 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=419) -1 -21.192051 -6.941026 -10.398171 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=420) -1 13.833214 15.188785 4.453599 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=420) -1 14.417042 14.801276 5.132009 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=420) -1 14.283673 16.055022 4.311433 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=421) -1 5.857587 -12.497043 -1.756126 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=421) -1 6.787579 -12.572984 -1.458036 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=421) -1 5.634759 -11.601574 -1.454419 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=422) -1 -15.370590 5.207427 -11.469982 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=422) -1 -14.906054 6.054752 -11.646779 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=422) -1 -15.332196 4.810141 -12.370423 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=423) -1 -3.609087 -17.661988 -7.105299 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=423) -1 -3.886864 -17.146702 -6.303042 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=423) -1 -4.295117 -18.351349 -7.101645 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=424) -1 -9.626451 28.941862 -2.956181 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=424) -1 -8.836195 28.494086 -2.570519 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=424) -1 -10.201315 28.985565 -2.169719 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=425) -1 -7.748992 23.515121 -10.921174 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=425) -1 -7.123703 22.839557 -10.559252 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=425) -1 -7.768626 24.129750 -10.148830 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=426) -1 31.356186 11.308260 0.065362 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=426) -1 31.141048 11.469612 -0.881400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=426) -1 31.924851 10.505292 -0.035263 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=427) -1 -8.095227 -16.865731 -13.032309 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=427) -1 -7.218066 -16.769543 -12.598972 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=427) -1 -8.547310 -16.068631 -12.689347 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=428) -1 23.904542 0.610635 -9.467527 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=428) -1 24.261666 1.132197 -8.712846 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=428) -1 24.073095 1.265269 -10.192620 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=429) -1 -17.867912 -2.635787 17.050628 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=429) -1 -18.370019 -2.284442 16.298474 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=429) -1 -18.319478 -3.509668 17.164546 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=430) -1 -24.950152 -3.626868 -0.967271 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=430) -1 -24.683915 -4.351005 -0.361294 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=430) -1 -24.328820 -3.805295 -1.719144 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=431) -1 13.254150 -18.218857 1.211015 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=431) -1 13.168530 -17.305559 1.586253 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=431) -1 14.217647 -18.191197 0.985065 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=432) -1 -21.320651 17.443714 8.755860 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=432) -1 -21.755952 18.315836 8.844102 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=432) -1 -22.101878 16.874186 8.599957 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=433) -1 18.390691 2.077274 -20.091796 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=433) -1 18.157100 2.993020 -19.829150 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=433) -1 17.481644 1.718171 -20.252233 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=434) -1 -20.724851 6.068866 -5.839907 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=434) -1 -21.540978 5.915488 -6.387477 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=434) -1 -20.484672 5.106585 -5.701616 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=435) -1 -7.944595 25.512066 -12.783800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=435) -1 -7.878813 24.704395 -12.220186 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=435) -1 -7.067676 25.510575 -13.197571 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=436) -1 9.035855 -8.277044 -9.572068 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=436) -1 8.721592 -8.065960 -8.661416 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=436) -1 9.846117 -8.787076 -9.347896 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=437) -1 -5.285614 -1.450708 -11.031120 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=437) -1 -5.629311 -1.056617 -11.864255 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=437) -1 -4.963827 -0.628620 -10.589536 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=438) -1 20.086073 10.090596 12.795459 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=438) -1 20.447369 11.011561 12.782156 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=438) -1 20.733510 9.676503 12.167033 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=439) -1 23.864381 17.424777 -9.779598 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=439) -1 23.282104 17.497981 -8.988435 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=439) -1 23.950351 16.453232 -9.836392 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=440) -1 -17.548892 12.859920 -9.058519 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=440) -1 -18.375639 13.361065 -8.887972 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=440) -1 -17.826251 11.968933 -8.751494 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=441) -1 10.614013 15.172053 -3.093594 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=441) -1 10.255008 14.300945 -2.825657 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=441) -1 10.300250 15.207466 -4.020782 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=442) -1 6.377226 -6.353305 -8.723149 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=442) -1 7.109627 -6.701778 -8.158854 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=442) -1 6.251059 -5.477642 -8.275138 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=443) -1 -11.734371 -9.692486 -15.794571 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=443) -1 -11.096948 -10.071512 -15.146779 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=443) -1 -11.752859 -10.390044 -16.462761 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=444) -1 12.855042 -19.781853 -2.741343 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=444) -1 12.252567 -19.400892 -2.067421 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=444) -1 13.549065 -20.158238 -2.152303 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=445) -1 15.488000 -12.355117 10.705202 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=445) -1 16.412583 -12.047705 10.894430 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=445) -1 15.683063 -13.322206 10.615520 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=446) -1 -21.493179 -9.216401 9.490628 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=446) -1 -22.201245 -8.552560 9.676258 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=446) -1 -21.079981 -8.777119 8.706891 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=447) -1 -15.491394 14.464744 -6.161623 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=447) -1 -15.313213 13.545279 -5.857281 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=447) -1 -15.378006 14.338162 -7.131143 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=448) -1 29.101723 8.314602 13.979412 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=448) -1 29.990120 8.084329 14.371080 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=448) -1 28.699452 7.414767 14.010753 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=449) -1 9.243864 -6.155814 3.964374 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=449) -1 9.210876 -5.283440 3.509549 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=449) -1 9.931255 -5.965303 4.638966 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=450) -1 -10.123890 15.233528 -2.383537 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=450) -1 -10.495120 14.611838 -3.064544 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=450) -1 -10.703698 14.954734 -1.624825 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=451) -1 -18.746514 26.204755 -4.974996 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=451) -1 -18.825600 26.781942 -5.779238 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=451) -1 -18.906526 25.330056 -5.433386 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=452) -1 -15.176892 11.888722 -5.355457 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=452) -1 -14.711398 11.999420 -4.479867 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=452) -1 -14.728109 11.058967 -5.642151 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=453) -1 22.534468 -6.767949 -13.072797 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=453) -1 23.349973 -6.938567 -12.526707 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=453) -1 22.516652 -5.780653 -12.988094 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=454) -1 -11.262063 5.003843 -8.799674 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=454) -1 -10.527581 4.482408 -9.181563 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=454) -1 -12.032333 4.470414 -9.098780 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=455) -1 24.588320 -4.040503 -16.884102 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=455) -1 23.937127 -3.712262 -17.557801 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=455) -1 24.534395 -3.270146 -16.259155 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=456) -1 -8.258185 20.621162 0.321053 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=456) -1 -8.035576 20.903441 1.235051 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=456) -1 -9.239983 20.548208 0.405509 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=457) -1 -6.924486 5.058325 -9.521403 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=457) -1 -7.803891 4.807094 -9.909819 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=457) -1 -6.353522 4.488745 -10.104227 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=458) -1 -20.964625 13.991566 -5.808001 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=458) -1 -20.238274 14.636264 -5.610635 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=458) -1 -20.736994 13.319671 -5.110622 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=459) -1 -19.051043 28.068660 1.260536 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=459) -1 -19.891065 27.733624 0.878310 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=459) -1 -18.934646 27.406845 1.990382 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=460) -1 -13.318922 -1.475422 17.584928 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=460) -1 -14.289396 -1.341781 17.528636 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=460) -1 -13.231087 -2.391906 17.288255 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=461) -1 -26.691169 -0.056789 -10.307820 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=461) -1 -26.911128 -1.004709 -10.118274 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=461) -1 -27.156008 0.056257 -11.154721 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=462) -1 11.654796 17.753312 4.133211 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=462) -1 12.226730 18.412664 3.677286 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=462) -1 11.993833 17.841843 5.048895 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=463) -1 -22.810228 22.804074 -7.359302 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=463) -1 -23.741807 22.495191 -7.496908 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=463) -1 -22.740486 23.427204 -8.118537 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=464) -1 8.506609 -12.922025 -0.862444 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=464) -1 9.214007 -12.456363 -0.368047 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=464) -1 9.069249 -13.374642 -1.546540 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=465) -1 -5.715885 -4.897691 -13.216399 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=465) -1 -6.169094 -4.126423 -13.633091 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=465) -1 -5.513988 -4.508511 -12.333692 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=466) -1 -11.751868 21.355845 -12.204862 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=466) -1 -11.281779 20.694172 -11.636907 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=466) -1 -12.239219 20.726243 -12.789736 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=467) -1 27.280253 7.966678 -11.061294 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=467) -1 27.328058 7.891020 -12.049212 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=467) -1 26.630735 8.713710 -11.005580 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=468) -1 8.733903 -2.902469 -9.988240 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=468) -1 8.793515 -3.856570 -9.754630 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=468) -1 7.928622 -2.656270 -9.473719 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=469) -1 11.478531 -15.422020 8.332618 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=469) -1 12.253798 -14.824860 8.377691 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=469) -1 11.851274 -16.147194 7.784016 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=470) -1 21.794856 12.778262 -14.708750 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=470) -1 22.470434 12.250637 -14.212393 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=470) -1 22.247053 13.628388 -14.773802 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=471) -1 -14.397384 26.405454 -9.613410 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=471) -1 -15.268934 26.714855 -9.264731 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=471) -1 -14.126125 27.192597 -10.119525 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=472) -1 3.440746 6.959849 6.137108 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=472) -1 4.406928 6.866261 6.324186 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=472) -1 3.265659 6.026842 5.846743 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=473) -1 -16.870926 20.336262 -0.890214 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=473) -1 -15.896603 20.209954 -1.031308 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=473) -1 -17.193821 19.781877 -1.636097 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=474) -1 -9.251806 -1.380512 -14.733440 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=474) -1 -8.667782 -2.144674 -14.603096 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=474) -1 -10.122754 -1.746498 -14.504543 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=475) -1 -24.445595 -16.820370 -15.444460 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=475) -1 -24.609398 -15.910398 -15.103869 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=475) -1 -23.513301 -16.759509 -15.689938 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=476) -1 -12.295648 -23.010371 0.995160 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=476) -1 -11.871767 -22.374085 0.371699 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=476) -1 -11.953731 -23.855818 0.635001 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=477) -1 2.985990 3.142418 -11.747490 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=477) -1 3.187902 3.406844 -10.810252 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=477) -1 3.831742 3.430670 -12.164050 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=478) -1 11.107072 -6.795923 -7.788651 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=478) -1 11.383531 -7.672011 -8.121786 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=478) -1 11.624296 -6.201430 -8.363550 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=479) -1 11.440886 -18.350832 -0.848890 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=479) -1 12.125282 -18.394435 -0.139302 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=479) -1 10.709413 -17.933976 -0.331701 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=480) -1 0.710619 -15.287366 -7.141219 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=480) -1 0.157761 -16.025850 -6.817915 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=480) -1 1.100979 -14.974548 -6.294806 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=481) -1 5.607295 7.300758 -2.367109 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=481) -1 5.673552 7.904150 -1.590109 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=481) -1 6.525426 6.938072 -2.364312 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=482) -1 25.237654 7.966032 -14.863958 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=482) -1 24.664945 7.317511 -14.396514 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=482) -1 24.590839 8.632513 -15.128706 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=483) -1 -18.763610 24.364481 -17.973009 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=483) -1 -19.495659 24.132068 -18.554329 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=483) -1 -19.181927 24.308038 -17.089488 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=484) -1 -27.540420 -7.614411 -8.011977 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=484) -1 -27.910453 -6.768526 -8.383208 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=484) -1 -27.516326 -7.350871 -7.060656 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=485) -1 -28.946994 22.445080 -1.278023 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=485) -1 -29.249606 22.520694 -0.352522 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=485) -1 -29.489652 21.689384 -1.589629 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=486) -1 -16.227590 24.255458 -17.023793 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=486) -1 -17.049785 24.296581 -17.573432 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=486) -1 -16.254604 25.181159 -16.658449 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=487) -1 -20.029223 -9.205938 11.751556 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=487) -1 -20.553173 -8.506015 12.194157 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=487) -1 -20.563541 -9.314846 10.926783 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=488) -1 -7.912572 26.494290 0.797119 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=488) -1 -8.086861 25.535547 0.957353 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=488) -1 -7.349455 26.703237 1.556485 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=489) -1 3.668665 -5.520580 -8.359465 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=489) -1 4.308110 -4.828372 -8.068213 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=489) -1 4.298753 -6.158263 -8.757169 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=490) -1 27.281383 3.494132 -7.471996 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=490) -1 27.676903 3.440398 -8.371692 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=490) -1 26.426141 3.046187 -7.632168 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=491) -1 -13.720429 18.084169 4.572289 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=491) -1 -13.126618 17.314709 4.772785 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=491) -1 -13.298176 18.744063 5.185875 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=492) -1 -11.341213 -24.689634 -5.347466 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=492) -1 -10.805100 -24.221348 -4.676478 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=492) -1 -11.699648 -25.424661 -4.810890 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=493) -1 0.686573 -13.423261 13.979171 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=493) -1 0.280536 -14.093834 14.576835 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=493) -1 -0.060488 -13.323780 13.338358 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=494) -1 10.948220 -12.675180 6.649900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=494) -1 11.685830 -13.106816 7.137582 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=494) -1 11.319906 -11.769360 6.566468 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=495) -1 12.733451 16.297654 -1.693625 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=495) -1 12.630196 15.807647 -0.855200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=495) -1 11.957734 15.955443 -2.194263 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=496) -1 -18.194318 15.037010 -0.091383 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=496) -1 -17.298704 14.625604 -0.063900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=496) -1 -18.396606 14.916568 -1.047669 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=497) -1 -16.159161 -7.879076 -12.504647 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=497) -1 -15.415888 -8.509427 -12.614344 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=497) -1 -15.672157 -7.027058 -12.579211 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=498) -1 27.383429 9.847952 -5.047548 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=498) -1 27.085926 9.985886 -4.125417 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=498) -1 26.781664 9.113818 -5.314061 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=499) -1 5.488909 -15.215859 7.204814 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=499) -1 5.889318 -14.854340 8.031739 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=499) -1 6.306521 -15.599340 6.799601 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=500) -1 11.788774 16.071571 13.715119 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=500) -1 11.279908 15.705918 12.947515 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=500) -1 12.221187 15.236786 14.014642 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=501) -1 -25.812546 20.665699 3.172514 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=501) -1 -25.667372 19.695510 3.007384 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=501) -1 -25.017596 20.839815 3.724662 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=502) -1 27.788380 12.131697 -1.180333 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=502) -1 28.160178 12.594264 -0.397152 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=502) -1 27.520614 12.914098 -1.723620 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=503) -1 4.569919 -0.834634 -7.194785 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=503) -1 4.844234 -0.075804 -6.654034 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=503) -1 4.804988 -1.582416 -6.587737 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=504) -1 -24.638282 16.230099 4.507574 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=504) -1 -24.479546 15.527869 3.819861 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=504) -1 -24.946245 15.630943 5.238174 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=505) -1 25.899339 15.071649 12.993455 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=505) -1 26.123226 14.830427 12.066373 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=505) -1 26.377863 14.350155 13.465908 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=506) -1 -22.187042 9.917466 7.812636 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=506) -1 -21.852520 9.459855 8.624861 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=506) -1 -21.508999 9.594310 7.168639 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=507) -1 14.121762 -18.887748 -9.694210 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=507) -1 15.080536 -18.754763 -9.515917 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=507) -1 13.936078 -18.074193 -10.207834 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=508) -1 -27.608166 0.384592 -7.595968 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=508) -1 -27.543873 -0.592322 -7.407389 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=508) -1 -27.342173 0.378825 -8.536494 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=509) -1 12.837646 -10.566248 6.679395 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=509) -1 13.124804 -10.606532 7.621008 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=509) -1 13.672809 -10.821277 6.236552 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=511) -1 21.806321 11.752229 4.128200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=511) -1 20.895883 12.000083 4.395653 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=511) -1 22.141629 11.396599 4.984424 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=512) -1 30.998271 4.741664 14.977209 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=512) -1 31.769560 4.375668 14.487615 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=512) -1 30.714735 3.909782 15.449550 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=513) -1 -29.797248 -2.139401 -5.741577 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=513) -1 -29.045861 -2.273231 -6.361404 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=513) -1 -29.702775 -2.962098 -5.199485 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=514) -1 -16.937873 29.593548 2.281328 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=514) -1 -17.815030 29.239953 2.031894 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=514) -1 -16.624728 28.894776 2.887293 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=515) -1 28.887031 -8.616395 -13.008182 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=515) -1 28.647442 -9.433172 -13.480759 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=515) -1 28.047414 -8.119861 -13.067051 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=516) -1 13.994424 10.256129 -15.264516 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=516) -1 14.796914 10.062369 -14.739759 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=516) -1 13.593211 10.968144 -14.732427 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=517) -1 0.635726 11.890919 -1.939686 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=517) -1 -0.050843 11.215436 -2.152574 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=517) -1 0.918279 11.553190 -1.057664 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=518) -1 -6.247201 -7.463355 -12.647587 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=518) -1 -5.720228 -7.393576 -11.821815 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=518) -1 -6.126847 -6.550613 -12.997253 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=519) -1 -3.693968 -19.767104 10.423550 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=519) -1 -3.622287 -18.822662 10.172717 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=519) -1 -4.554659 -19.992473 10.012656 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=520) -1 33.593536 -5.662533 -1.791425 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=520) -1 33.363076 -5.856901 -2.740626 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=520) -1 33.086803 -6.400995 -1.373211 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=521) -1 -21.167445 -21.867459 -0.878626 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=521) -1 -21.729163 -22.655702 -1.077598 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=521) -1 -20.488583 -21.978016 -1.587036 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=522) -1 32.450020 -7.834799 -0.607853 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=522) -1 32.875708 -7.705644 0.275273 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=522) -1 32.783511 -8.713675 -0.840166 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=523) -1 -21.380426 9.022611 -9.324508 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=523) -1 -21.989130 8.267623 -9.515040 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=523) -1 -20.931205 8.670919 -8.524932 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=524) -1 -2.633509 11.185846 -0.414940 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=524) -1 -2.032454 11.911866 -0.144720 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=524) -1 -2.093837 10.768640 -1.124197 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=525) -1 -13.995604 15.685425 0.606914 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=525) -1 -14.733161 15.123602 0.290906 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=525) -1 -14.476817 16.233997 1.271625 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=526) -1 -13.364630 8.464443 1.578861 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=526) -1 -13.778021 9.316383 1.315801 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=526) -1 -13.203320 8.062184 0.706475 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=527) -1 -24.272195 2.407626 8.685804 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=527) -1 -24.911834 1.857376 8.167719 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=527) -1 -23.801976 2.845741 7.943080 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=528) -1 -8.762590 0.059798 22.026554 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=528) -1 -8.450876 -0.562870 21.332883 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=528) -1 -9.251988 0.704654 21.466672 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=529) -1 10.632184 -12.964791 -5.758446 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=529) -1 10.969744 -13.693435 -6.335745 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=529) -1 9.838643 -13.411514 -5.387350 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=530) -1 33.712142 6.659457 13.667638 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=530) -1 33.512209 5.697322 13.592257 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=530) -1 34.249457 6.798723 12.878488 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=531) -1 -9.454423 6.368112 16.669636 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=531) -1 -9.669396 5.566416 16.151259 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=531) -1 -8.537217 6.540347 16.372162 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=532) -1 30.459357 3.176150 7.431742 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=532) -1 30.422565 2.972710 6.467677 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=532) -1 29.904744 3.985574 7.450486 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=533) -1 16.946989 -17.937239 -4.320174 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=533) -1 17.902413 -17.853393 -4.536356 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=533) -1 16.555990 -17.798366 -5.209272 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=534) -1 -8.613765 16.206799 15.884800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=534) -1 -8.305484 15.267347 15.956553 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=534) -1 -7.839950 16.669075 16.239571 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=535) -1 -18.515769 14.991396 -5.149865 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=535) -1 -18.101647 14.121296 -5.365909 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=535) -1 -17.916022 15.582502 -5.657909 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=536) -1 -9.019285 25.031855 -2.298743 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=536) -1 -8.664880 24.155959 -2.012000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=536) -1 -8.992267 24.903890 -3.275280 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=537) -1 -17.740044 21.103881 1.543624 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=537) -1 -17.000411 20.611591 1.995136 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=537) -1 -17.501203 20.848413 0.608134 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=538) -1 20.993060 19.772043 -6.895146 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=538) -1 20.669783 19.860757 -5.978805 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=538) -1 20.158880 19.501526 -7.344009 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=539) -1 9.991505 15.677889 -8.755411 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=539) -1 10.628006 16.273017 -8.284953 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=539) -1 10.186609 14.834742 -8.300491 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=540) -1 -26.610738 -22.485675 0.014659 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=540) -1 -25.732199 -22.605883 0.435418 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=540) -1 -26.629684 -23.282560 -0.561943 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=541) -1 5.218228 -12.374131 4.089297 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=541) -1 5.667024 -11.487796 4.053191 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=541) -1 6.043882 -12.935111 4.122837 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=542) -1 -22.880456 19.154694 1.821342 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=542) -1 -23.743140 18.723099 2.014230 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=542) -1 -22.374700 18.365105 1.507302 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=543) -1 0.498524 -5.471141 16.712720 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=543) -1 0.357209 -6.034226 17.501050 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=543) -1 1.426774 -5.181925 16.866655 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=544) -1 17.248510 -5.914867 14.878509 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=544) -1 17.318948 -6.760400 15.351360 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=544) -1 18.159210 -5.863953 14.488516 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=545) -1 15.977689 -16.484613 -11.514776 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=545) -1 16.295741 -16.971869 -10.724528 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=545) -1 15.066633 -16.266159 -11.225431 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=546) -1 16.264411 -17.219270 5.810080 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=546) -1 16.571852 -17.865389 5.161413 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=546) -1 15.488035 -16.835453 5.339603 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=547) -1 9.938431 -0.693393 -11.025533 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=547) -1 10.794670 -0.664961 -10.575468 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=547) -1 9.521638 -1.469143 -10.580960 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=548) -1 -16.416742 -17.021340 7.538123 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=548) -1 -16.120618 -16.327625 6.902843 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=548) -1 -17.393191 -16.927802 7.428409 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=549) -1 29.275234 7.839477 6.465698 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=549) -1 29.975534 8.211429 7.066451 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=549) -1 29.855688 7.591660 5.706560 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=550) -1 23.766047 9.093488 -3.749621 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=550) -1 23.266940 9.315068 -4.583764 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=550) -1 24.096293 10.014135 -3.560055 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=551) -1 23.519077 -13.783469 3.537269 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=551) -1 23.228553 -14.533305 4.099655 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=551) -1 22.925767 -13.921069 2.761374 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=552) -1 30.145923 7.775329 -12.582571 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=552) -1 30.020548 6.894811 -12.185771 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=552) -1 29.366702 7.820252 -13.174953 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=553) -1 33.019816 4.083024 13.179836 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=553) -1 33.508562 3.288395 12.847192 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=553) -1 32.391264 4.180878 12.413272 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=554) -1 -25.172464 14.291523 6.306047 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=554) -1 -25.256296 13.624362 5.575852 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=554) -1 -25.265869 13.651412 7.068749 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=555) -1 -18.977924 27.653666 -7.247552 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=555) -1 -19.722950 27.223469 -7.731959 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=555) -1 -19.418525 28.467889 -6.934734 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=556) -1 0.424414 2.041824 -11.552272 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=556) -1 1.202704 2.629866 -11.692902 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=556) -1 0.900243 1.214416 -11.299125 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=557) -1 -9.766842 20.959058 7.387924 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=557) -1 -10.592057 21.050543 7.918780 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=557) -1 -9.156980 20.619336 8.058145 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=558) -1 -16.346271 19.122878 -12.551733 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=558) -1 -15.617194 18.488877 -12.769293 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=558) -1 -17.031999 18.455298 -12.280274 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=559) -1 14.190887 -2.624180 14.105240 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=559) -1 14.261182 -2.487254 13.136289 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=559) -1 14.025488 -1.696242 14.392277 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=560) -1 -13.622545 32.157933 -7.146805 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=560) -1 -14.037205 32.307145 -6.272989 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=560) -1 -13.220236 31.275181 -6.996398 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=561) -1 -11.590977 -14.248244 18.825326 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=561) -1 -11.280547 -14.982292 18.241195 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=561) -1 -11.203830 -13.481267 18.343192 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=562) -1 24.931587 11.168336 14.301184 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=562) -1 24.254314 10.689481 14.796402 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=562) -1 24.398510 11.548236 13.566571 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=563) -1 -14.569784 31.799524 -12.221135 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=563) -1 -15.285217 31.198956 -12.567330 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=563) -1 -14.804317 32.617775 -12.684906 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=564) -1 17.339053 4.302081 11.965807 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=564) -1 18.185359 4.789504 12.058381 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=564) -1 17.686793 3.380410 11.940305 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=565) -1 -10.199896 26.129451 -14.258759 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=565) -1 -10.255099 27.115482 -14.169061 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=565) -1 -9.374347 25.974569 -13.744411 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=566) -1 -16.152052 0.765673 -14.895334 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=566) -1 -16.342329 0.931376 -15.851656 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=566) -1 -17.053820 0.984462 -14.535074 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=567) -1 -8.841079 1.231576 -14.444558 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=567) -1 -9.719314 1.463008 -14.816603 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=567) -1 -8.876118 0.247743 -14.579789 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=568) -1 14.991319 20.714616 -1.582877 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=568) -1 15.804203 20.733415 -2.141243 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=568) -1 14.481915 20.026636 -2.063387 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=569) -1 26.802747 -8.662508 -18.955656 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=569) -1 26.298380 -7.826517 -18.853607 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=569) -1 26.473732 -9.157244 -18.176826 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=570) -1 8.254841 -5.559846 -12.590343 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=570) -1 7.620534 -6.296171 -12.392357 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=570) -1 8.744067 -5.563268 -11.730382 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=571) -1 -22.250367 -5.016098 6.721166 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=571) -1 -22.758014 -5.843303 6.812996 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=571) -1 -21.793459 -5.017368 7.610394 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=572) -1 17.200596 -2.185785 -17.838803 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=572) -1 17.869091 -1.543690 -18.168763 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=572) -1 17.748901 -2.986887 -17.747602 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=573) -1 -27.935268 20.142412 1.405775 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=573) -1 -28.500189 20.931964 1.554178 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=573) -1 -27.316239 20.228268 2.160420 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=574) -1 16.698635 -14.803654 10.250410 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=574) -1 16.728212 -15.188229 9.346840 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=574) -1 17.655524 -14.672670 10.409202 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=575) -1 27.268072 13.923848 -3.093769 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=575) -1 26.536478 13.945967 -3.748313 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=575) -1 28.023740 13.739597 -3.698484 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=576) -1 -19.489461 24.112117 -15.340207 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=576) -1 -18.655152 23.585082 -15.259966 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=576) -1 -20.016507 23.682044 -14.638470 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=577) -1 -19.988024 26.639421 -2.621234 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=577) -1 -19.675797 26.337724 -3.515287 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=577) -1 -20.192435 27.584921 -2.870702 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=578) -1 -25.299564 -5.565411 -11.612043 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=578) -1 -24.447672 -5.909104 -11.956166 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=578) -1 -25.668465 -6.399030 -11.225506 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=579) -1 -23.802225 -3.497282 -13.587558 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=579) -1 -24.677730 -3.243264 -13.207879 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=579) -1 -23.638640 -4.321453 -13.079183 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=580) -1 -16.686270 11.072015 4.253374 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=580) -1 -16.010147 11.188431 4.963421 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=580) -1 -16.204395 11.510440 3.511515 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=581) -1 3.820100 -14.512668 5.256729 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=581) -1 4.440076 -14.822048 5.971799 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=581) -1 4.430500 -13.889307 4.797440 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=582) -1 -13.924710 30.983319 -9.683743 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=582) -1 -14.143040 31.487718 -10.495601 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=582) -1 -13.735957 31.712243 -9.058572 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=583) -1 18.603885 18.574613 -7.523500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=583) -1 17.654950 18.298871 -7.540780 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=583) -1 19.023269 17.677786 -7.472554 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=584) -1 4.682137 -9.806808 -0.845935 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=584) -1 5.377441 -9.726036 -0.145411 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=584) -1 4.808811 -8.931853 -1.287993 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=585) -1 -16.729698 11.099077 0.057873 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=585) -1 -15.781938 10.947496 0.306952 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=585) -1 -17.151223 10.439019 0.661008 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=586) -1 6.084086 -7.517013 3.053416 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=586) -1 6.107066 -7.081125 3.927414 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=586) -1 6.345752 -6.759016 2.477014 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=587) -1 -8.218420 -19.837661 7.318899 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=587) -1 -7.987609 -18.857042 7.295881 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=587) -1 -7.597078 -20.085478 8.052049 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=588) -1 -12.872258 28.625382 -10.418611 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=588) -1 -12.468572 28.287340 -9.589454 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=588) -1 -13.232662 29.485243 -10.080772 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=589) -1 10.661001 6.916251 -17.516949 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=589) -1 11.339827 6.627943 -18.168968 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=589) -1 11.235110 7.470170 -16.931606 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=590) -1 26.424791 10.222129 -2.492916 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=590) -1 26.917217 10.880157 -1.934582 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=590) -1 25.676718 10.810421 -2.773184 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=591) -1 7.769267 3.724670 -14.467848 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=591) -1 7.837022 2.786838 -14.756064 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=591) -1 8.193775 4.167316 -15.236237 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=592) -1 -10.401389 -12.109599 17.634414 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=592) -1 -9.956190 -11.510852 18.273653 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=592) -1 -10.933681 -11.439718 17.135098 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=593) -1 32.374509 5.136441 -3.363920 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=593) -1 31.481119 5.361788 -3.732086 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=593) -1 32.926603 5.287347 -4.144283 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=594) -1 29.465504 0.302760 -7.769994 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=594) -1 30.062132 -0.266620 -8.272211 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=594) -1 28.590739 -0.065692 -8.022337 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=595) -1 27.065246 12.784984 13.925264 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=595) -1 26.327139 12.235314 14.284860 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=595) -1 27.825887 12.207196 14.186757 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=596) -1 -23.283778 4.495844 -11.682333 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=596) -1 -23.971547 4.544449 -10.980640 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=596) -1 -22.928552 3.594427 -11.504589 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=597) -1 27.470143 10.439207 -8.835527 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=597) -1 28.298538 10.348475 -9.363943 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=597) -1 26.810195 10.428647 -9.561620 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=598) -1 -8.897751 12.019007 2.175604 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=598) -1 -9.064239 11.052053 2.089043 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=598) -1 -9.593748 12.225537 2.859528 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=599) -1 18.905902 13.779015 13.527002 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=599) -1 18.063433 13.861237 14.014134 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=599) -1 19.345116 14.621962 13.776279 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=600) -1 7.067498 -9.419625 9.671455 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=600) -1 7.851961 -9.064592 10.114822 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=600) -1 7.243694 -9.140097 8.741787 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=601) -1 6.647518 -14.021144 9.358184 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=601) -1 7.584486 -14.020063 9.051275 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=601) -1 6.773985 -13.791977 10.301000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=602) -1 -7.215800 -14.600166 19.602399 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=602) -1 -7.411131 -15.165103 18.825445 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=602) -1 -8.068971 -14.678837 20.088057 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=603) -1 1.619155 -13.482650 1.169992 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=603) -1 1.142173 -14.272265 1.514789 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=603) -1 2.003257 -13.140136 2.005815 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=604) -1 -8.802641 -15.814399 -3.908878 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=604) -1 -9.192284 -16.215981 -4.722987 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=604) -1 -8.911559 -14.854890 -4.161481 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=605) -1 -7.623323 13.205467 6.076071 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=605) -1 -8.419025 13.777688 6.017208 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=605) -1 -7.317253 13.254635 5.140926 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=606) -1 11.307056 -10.430358 -6.111579 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=606) -1 11.217451 -10.193753 -5.165023 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=606) -1 11.020350 -11.381127 -6.060966 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=607) -1 -12.108280 7.273169 -9.992012 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=607) -1 -12.589301 7.599445 -9.196985 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=607) -1 -11.692337 6.465710 -9.600859 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=608) -1 -26.675028 21.011044 -0.854742 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=608) -1 -27.102120 20.534109 -0.102990 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=608) -1 -27.394592 21.658571 -1.052221 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=609) -1 13.546567 19.456987 3.117856 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=609) -1 13.596776 20.308790 3.620018 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=609) -1 13.977414 19.751481 2.278288 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=610) -1 -2.020585 -14.448735 6.882835 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=610) -1 -2.768777 -13.879611 6.611486 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=610) -1 -1.622237 -14.662248 6.018667 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=611) -1 -3.284743 13.394772 5.500658 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=611) -1 -2.544974 13.309917 6.140835 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=611) -1 -2.780376 13.478598 4.662743 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=612) -1 -16.614431 27.546677 -8.633505 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=612) -1 -17.486752 27.516829 -8.176847 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=612) -1 -16.308462 28.436079 -8.336911 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=613) -1 25.410888 12.056135 6.100296 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=613) -1 25.688474 11.210395 5.651962 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=613) -1 25.755317 12.700302 5.463904 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=614) -1 12.803742 18.045523 6.672706 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=614) -1 13.783487 18.023881 6.760212 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=614) -1 12.604889 18.909696 7.063204 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=615) -1 -19.969079 14.012345 -8.402887 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=615) -1 -20.449858 13.201277 -8.709560 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=615) -1 -20.347743 14.072121 -7.494100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=616) -1 -13.650869 11.849854 -3.163879 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=616) -1 -12.985150 11.128645 -3.209465 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=616) -1 -13.642324 12.031368 -2.194050 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=617) -1 31.513420 4.095659 10.985416 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=617) -1 31.366752 4.860314 10.373377 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=617) -1 31.842803 3.435505 10.333045 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=618) -1 -15.743400 -19.648410 -14.046590 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=618) -1 -15.023888 -20.289526 -13.905631 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=618) -1 -16.179311 -19.679952 -13.163445 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=619) -1 -9.279843 4.820311 11.419326 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=619) -1 -9.401822 5.771791 11.680201 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=619) -1 -8.778570 4.507164 12.204241 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=620) -1 -17.223234 22.611160 -15.082102 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=620) -1 -16.781493 23.077299 -15.831297 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=620) -1 -16.484940 22.015729 -14.809608 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=621) -1 -18.583958 -7.622874 -11.475305 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=621) -1 -17.667784 -7.735466 -11.848820 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=621) -1 -18.683235 -6.651894 -11.640975 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=622) -1 -19.020396 22.282634 -13.008901 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=622) -1 -18.440990 21.883720 -12.319370 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=622) -1 -18.393161 22.283828 -13.765851 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=623) -1 12.094542 -18.350978 -7.952656 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=623) -1 12.722597 -18.856644 -8.528292 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=623) -1 12.665339 -17.548753 -7.800662 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=624) -1 -13.271861 16.241829 7.966348 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=624) -1 -14.104490 16.231253 7.432667 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=624) -1 -13.458134 17.036104 8.522050 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=625) -1 31.423235 7.431509 14.911696 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=625) -1 32.321413 7.336412 14.508517 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=625) -1 31.256410 6.480383 15.124544 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=626) -1 8.811631 -8.689920 4.801071 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=626) -1 9.785478 -8.784819 4.946606 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=626) -1 8.822104 -7.792923 4.370242 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=627) -1 10.577599 14.645087 11.753035 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=627) -1 10.631651 14.400110 10.807641 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=627) -1 10.459485 13.760334 12.161395 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=628) -1 11.480431 -8.717938 5.233014 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=628) -1 11.766194 -9.026801 4.345260 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=628) -1 11.958679 -9.366860 5.799598 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=629) -1 -3.867292 6.445649 8.682302 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=629) -1 -3.069936 6.406140 9.232661 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=629) -1 -4.222808 7.329279 8.944618 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=630) -1 23.772927 -13.310503 -4.699432 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=630) -1 24.173573 -13.084340 -5.584957 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=630) -1 23.283517 -14.128930 -4.984550 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=631) -1 4.668656 4.688492 8.739240 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=631) -1 3.879001 4.219694 8.420029 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=631) -1 5.036561 5.032965 7.898496 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=632) -1 -10.964818 9.346652 -6.307049 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=632) -1 -10.044372 9.658653 -6.489503 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=632) -1 -10.838443 8.385633 -6.520431 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=633) -1 -19.060675 24.031426 -9.246390 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=633) -1 -18.784812 24.242061 -10.155178 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=633) -1 -19.238705 23.068903 -9.330312 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=634) -1 27.825960 -5.125534 10.911300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=634) -1 28.608225 -4.868373 11.467567 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=634) -1 27.845736 -4.377142 10.274263 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=635) -1 -20.165263 23.668335 4.805167 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=635) -1 -20.189175 23.461193 5.778679 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=635) -1 -20.179040 24.640488 4.849171 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=636) -1 16.904102 -18.708975 -1.772060 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=636) -1 16.800399 -18.461541 -2.732322 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=636) -1 17.885092 -18.826277 -1.762135 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=637) -1 -20.405021 -13.616720 -13.976762 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=637) -1 -20.144736 -14.526097 -14.281108 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=637) -1 -19.534392 -13.164630 -14.162154 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=638) -1 -24.742090 -18.550471 1.384851 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=638) -1 -24.311943 -19.280949 0.887341 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=638) -1 -24.115845 -18.465562 2.134241 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=639) -1 32.712723 -6.385729 -4.210856 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=639) -1 32.817676 -6.425494 -5.171974 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=639) -1 31.929173 -6.984869 -4.097033 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=640) -1 -20.620599 3.691833 10.390129 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=640) -1 -21.500068 3.298249 10.649817 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=640) -1 -20.608561 3.404725 9.447067 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=641) -1 -16.023973 24.135970 -2.279056 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=641) -1 -16.724414 24.696333 -1.877259 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=641) -1 -15.800023 23.554852 -1.541140 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=642) -1 -24.045424 -23.020107 0.853045 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=642) -1 -23.631174 -23.428115 0.052240 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=642) -1 -23.762049 -23.645292 1.535679 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=643) -1 23.605684 11.451819 -13.272669 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=643) -1 23.596358 10.518062 -12.974774 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=643) -1 23.895894 11.893831 -12.445068 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=644) -1 -20.092695 8.452781 -6.979483 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=644) -1 -20.437526 9.009572 -6.240109 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=644) -1 -20.225087 7.560899 -6.572360 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=645) -1 -19.511192 21.284133 -9.644820 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=645) -1 -18.618646 21.270655 -10.085669 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=645) -1 -19.717566 20.310763 -9.764254 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=646) -1 -18.281165 -6.836721 13.444208 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=646) -1 -17.788889 -7.581087 13.054123 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=646) -1 -17.639070 -6.100771 13.304546 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=647) -1 -15.566071 30.748721 0.205920 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=647) -1 -14.850334 30.088875 0.357543 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=647) -1 -16.145184 30.522252 0.976084 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=648) -1 15.992239 15.291860 -3.242423 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=648) -1 16.193097 16.166420 -2.833502 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=648) -1 16.721545 14.760067 -2.857156 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=649) -1 -18.030802 9.212189 1.442360 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=649) -1 -18.284204 9.234537 2.396294 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=649) -1 -18.926314 9.156736 1.038849 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=650) -1 -18.556079 29.438003 -14.691267 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=650) -1 -18.757141 28.476746 -14.762000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=650) -1 -19.178859 29.805953 -15.330069 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=651) -1 18.881647 2.028706 11.947046 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=651) -1 19.276817 2.021189 12.858621 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=651) -1 18.939511 1.073471 11.742343 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=652) -1 -1.688299 -17.705014 6.226637 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=652) -1 -2.139762 -18.548656 6.369978 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=652) -1 -1.576703 -17.388008 7.147261 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=653) -1 14.082121 -16.198316 4.586663 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=653) -1 13.991622 -15.228956 4.797537 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=653) -1 13.708294 -16.173155 3.668845 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=654) -1 11.520125 3.307244 8.680458 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=654) -1 12.034174 2.902450 9.412343 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=654) -1 11.478609 2.542634 8.062621 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=655) -1 22.339112 -10.549498 -3.245900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=655) -1 21.801985 -10.898245 -4.004517 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=655) -1 22.501636 -9.641273 -3.593719 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=656) -1 -9.561509 28.108946 -8.340068 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=656) -1 -10.514051 27.923489 -8.230257 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=656) -1 -9.420057 27.772209 -9.251470 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=657) -1 18.154695 13.855827 -2.126448 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=657) -1 17.796321 13.059069 -2.588220 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=657) -1 18.725279 13.411698 -1.461091 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=658) -1 -25.491683 -17.730000 -8.256196 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=658) -1 -25.406667 -17.016144 -8.944966 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=658) -1 -24.632167 -17.617234 -7.805218 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=659) -1 0.993253 11.098059 7.208411 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=659) -1 1.776477 11.539568 7.578610 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=659) -1 1.265675 10.149297 7.336968 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=660) -1 -13.176169 11.603144 -12.081650 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=660) -1 -13.724892 10.877779 -12.490653 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=660) -1 -12.830826 11.085829 -11.306555 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=661) -1 30.863500 0.037633 17.060724 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=661) -1 31.314183 -0.501678 16.370372 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=661) -1 30.125205 -0.572087 17.279810 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=662) -1 24.241282 -11.816488 -15.601885 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=662) -1 24.635894 -12.595329 -15.160033 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=662) -1 23.403093 -11.735027 -15.087086 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=663) -1 -12.465347 14.015693 -8.243570 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=663) -1 -13.451862 13.948639 -8.295092 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=663) -1 -12.266168 13.061234 -8.052599 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=664) -1 29.908091 5.534807 -4.271647 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=664) -1 29.662161 4.621413 -4.014615 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=664) -1 29.293963 5.675638 -5.025710 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=665) -1 -8.472420 -20.635923 2.324399 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=665) -1 -8.028214 -20.650010 3.215296 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=665) -1 -9.118209 -21.369670 2.482260 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=666) -1 25.879127 -5.998080 12.530902 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=666) -1 26.316505 -5.678467 13.337289 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=666) -1 26.569128 -5.751498 11.858849 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=667) -1 10.805142 -16.338741 -9.366506 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=667) -1 11.163506 -15.743447 -8.665711 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=667) -1 11.110879 -17.203327 -9.020644 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=668) -1 -25.260030 12.225428 4.481994 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=668) -1 -24.781829 11.559371 5.042969 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=668) -1 -25.988146 11.666897 4.157640 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=669) -1 -13.558060 3.851323 -9.940359 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=669) -1 -13.790429 2.991871 -10.340601 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=669) -1 -14.244679 4.423385 -10.356762 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=670) -1 12.634429 14.705546 0.694855 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=670) -1 13.477501 14.326103 0.993636 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=670) -1 12.267396 15.034038 1.546154 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=671) -1 13.967062 -16.286107 -2.822961 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=671) -1 14.093609 -16.948070 -3.545170 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=671) -1 12.980535 -16.252747 -2.822965 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=672) -1 -6.047849 -19.834598 -2.162179 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=672) -1 -6.286923 -19.574302 -1.251538 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=672) -1 -6.166513 -18.987435 -2.635608 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=673) -1 -15.027911 -23.028517 0.778619 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=673) -1 -14.046470 -22.962115 0.900539 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=673) -1 -15.300780 -22.502883 1.580116 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=674) -1 -12.976355 26.071225 -14.463532 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=674) -1 -11.995104 26.100357 -14.408328 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=674) -1 -13.085739 25.464383 -15.228947 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=675) -1 0.241436 -12.091874 -5.273333 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=675) -1 0.814169 -12.889840 -5.194026 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=675) -1 -0.635350 -12.518016 -5.092740 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=676) -1 -11.768637 13.690599 -3.847679 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=676) -1 -12.311039 14.486433 -4.017827 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=676) -1 -12.468382 13.027012 -3.679714 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=677) -1 10.911405 -18.028573 2.969623 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=677) -1 10.342967 -17.785963 2.204366 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=677) -1 11.687972 -18.388764 2.499940 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=678) -1 -16.366076 26.625136 -15.817240 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=678) -1 -15.820201 27.240459 -15.285034 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=678) -1 -17.261921 26.864712 -15.511308 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=679) -1 -7.899765 4.694468 18.274221 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=679) -1 -8.508139 5.436229 18.067036 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=679) -1 -8.543995 3.943513 18.226487 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=680) -1 -15.327088 16.341726 -4.255256 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=680) -1 -15.509649 15.665675 -4.951394 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=680) -1 -14.361947 16.214715 -4.154827 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=681) -1 -11.275421 16.733770 15.690319 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=681) -1 -10.322704 16.658917 15.923875 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=681) -1 -11.634454 15.967943 16.181831 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=682) -1 20.945894 15.303690 -9.430749 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=682) -1 20.490659 15.720575 -8.664487 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=682) -1 20.217059 14.797422 -9.824183 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=683) -1 -8.422667 -13.097088 -13.563780 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=683) -1 -9.091796 -12.410299 -13.748686 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=683) -1 -8.941925 -13.713062 -13.004415 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=684) -1 11.359455 -9.426538 -8.572468 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=684) -1 11.659998 -10.242578 -9.002821 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=684) -1 11.324051 -9.739770 -7.627796 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=685) -1 -22.154816 13.464017 10.368874 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=685) -1 -21.949132 13.746988 9.451472 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=685) -1 -22.707665 12.669264 10.173665 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=686) -1 -22.844403 0.446728 -12.969255 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=686) -1 -23.348514 -0.051657 -12.271970 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=686) -1 -22.493513 1.173206 -12.396757 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=687) -1 19.039187 19.072397 -4.872379 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=687) -1 18.694799 19.022676 -5.794347 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=687) -1 19.409109 18.152122 -4.805457 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=688) -1 -5.273356 12.135100 6.941666 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=688) -1 -4.741225 12.783696 6.426355 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=688) -1 -6.176532 12.495386 6.766491 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=689) -1 19.639509 -17.684602 -4.134901 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=689) -1 19.683536 -18.271435 -3.352296 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=689) -1 20.080228 -16.884027 -3.770040 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=690) -1 -29.648284 -23.717654 -7.813010 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=690) -1 -29.258261 -23.597894 -8.687453 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=690) -1 -29.954990 -22.807458 -7.609835 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=691) -1 10.034550 -1.016382 10.738110 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=691) -1 9.951485 -1.901473 11.126979 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=691) -1 9.347820 -1.082945 10.021231 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=692) -1 10.574631 12.203225 13.007026 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=692) -1 10.394071 11.558142 13.738130 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=692) -1 10.716412 11.548658 12.273875 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=693) -1 21.145919 -7.850766 -15.084678 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=693) -1 21.679664 -7.352551 -14.413727 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=693) -1 21.043195 -8.698752 -14.567639 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=694) -1 31.995609 6.831928 -1.280339 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=694) -1 32.197438 6.203470 -2.007320 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=694) -1 32.242720 6.271247 -0.504290 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=695) -1 18.167405 -11.948711 10.832047 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=695) -1 18.644999 -12.786458 10.632232 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=695) -1 18.693785 -11.325327 10.287959 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=696) -1 -5.125462 8.701137 9.465277 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=696) -1 -5.701707 8.648376 8.663011 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=696) -1 -5.803792 8.513432 10.155986 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=697) -1 -3.185827 7.540724 -7.004765 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=697) -1 -2.277959 7.186940 -7.196283 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=697) -1 -3.715904 6.817658 -7.419182 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=698) -1 -19.164523 24.105654 -6.531735 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=698) -1 -19.590450 23.213192 -6.527249 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=698) -1 -19.005104 24.189229 -7.501872 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=699) -1 18.679993 -7.390772 -16.220752 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=699) -1 18.338194 -8.313276 -16.162653 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=699) -1 19.596080 -7.541926 -15.882007 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=700) -1 34.230338 10.487136 -1.861870 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=700) -1 35.135712 10.207092 -1.676782 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=700) -1 33.732277 9.961046 -1.193232 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=701) -1 -30.155312 -18.939706 -0.114627 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=701) -1 -29.445986 -19.545773 -0.437136 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=701) -1 -29.883100 -18.814765 0.803496 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=703) -1 -1.940411 0.852587 -11.168601 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=703) -1 -1.068439 1.302837 -11.326001 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=703) -1 -1.619474 -0.084030 -11.170221 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=704) -1 9.896194 12.835333 -13.392426 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=704) -1 9.888175 13.526482 -12.694885 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=704) -1 8.955513 12.650746 -13.491199 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=705) -1 15.452742 -17.479183 -6.600213 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=705) -1 14.805981 -16.918294 -7.099870 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=705) -1 14.820770 -17.870884 -5.943875 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=706) -1 -14.266598 14.181086 4.743677 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=706) -1 -14.509818 13.807993 3.860177 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=706) -1 -14.462960 13.374781 5.291777 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=707) -1 -11.792510 15.276817 -10.527899 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=707) -1 -11.953561 14.812355 -9.666866 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=707) -1 -11.128213 15.937699 -10.219618 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=708) -1 7.361533 -13.887259 4.406677 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=708) -1 7.439666 -14.642667 5.032955 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=708) -1 8.312475 -13.752279 4.198576 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=709) -1 18.112739 12.434530 11.286896 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=709) -1 18.371860 13.015381 12.041650 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=709) -1 18.443388 13.005468 10.542056 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=710) -1 -31.731302 -19.757713 -3.678826 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=710) -1 -32.208911 -20.476588 -4.132533 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=710) -1 -31.204992 -19.397613 -4.430629 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=711) -1 -7.885271 26.922246 -6.620886 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=711) -1 -7.410783 27.639655 -6.171848 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=711) -1 -8.531875 27.449156 -7.156417 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=712) -1 9.173648 -3.577559 3.014572 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=712) -1 9.439473 -2.651290 3.236980 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=712) -1 8.335011 -3.398293 2.542565 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=713) -1 0.136816 8.493713 -4.512727 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=713) -1 0.745875 8.481517 -3.731454 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=713) -1 0.471753 7.675723 -4.964480 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=715) -1 36.829447 -2.440663 4.831342 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=715) -1 36.322201 -2.505925 5.672150 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=715) -1 36.567950 -1.529281 4.557548 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=716) -1 16.652794 -5.762024 -15.441933 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=716) -1 17.279954 -6.455637 -15.771631 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=716) -1 16.617205 -6.044472 -14.491673 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=717) -1 -29.018244 22.673266 1.516235 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=717) -1 -29.479898 23.311460 2.078732 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=717) -1 -28.078019 22.934252 1.682697 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=718) -1 29.514155 2.930496 -3.397473 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=718) -1 28.576827 2.874095 -3.100887 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=718) -1 29.411291 2.580452 -4.319304 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=719) -1 -25.054026 -5.865008 -4.058382 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=719) -1 -24.666564 -5.882903 -4.970596 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=719) -1 -24.351926 -5.298978 -3.631636 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=720) -1 -7.105895 7.693849 11.111545 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=720) -1 -8.031221 7.546151 11.441581 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=720) -1 -6.906854 6.789387 10.790628 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=721) -1 31.391569 8.423498 7.992799 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=721) -1 31.473546 7.619657 8.541331 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=721) -1 32.175037 8.320506 7.406532 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=722) -1 29.406773 7.042391 11.445470 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=722) -1 29.564147 7.825746 12.007862 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=722) -1 29.141088 6.393946 12.140572 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=723) -1 -28.694040 -18.856137 -13.301392 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=723) -1 -29.191108 -18.019240 -13.184997 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=723) -1 -28.069026 -18.573691 -14.013664 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=724) -1 -18.731432 16.306288 -9.208664 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=724) -1 -18.198772 16.404002 -8.385376 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=724) -1 -19.214422 15.472962 -8.984407 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=725) -1 -8.306262 12.365835 13.476942 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=725) -1 -9.002572 11.836823 13.945123 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=725) -1 -7.794088 11.609280 13.083389 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=726) -1 -19.213300 16.546144 1.936649 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=726) -1 -18.768526 16.090995 1.180167 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=726) -1 -18.515429 16.426986 2.620930 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=727) -1 -18.490135 14.073994 12.348337 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=727) -1 -19.402430 13.715760 12.481195 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=727) -1 -17.991820 13.397384 12.877632 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=728) -1 -10.687019 12.536410 4.033100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=728) -1 -10.407358 13.312516 4.565924 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=728) -1 -11.344683 12.134309 4.634390 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=729) -1 -11.629557 8.734059 6.692905 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=729) -1 -11.591179 8.527946 5.737291 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=729) -1 -11.308650 7.876558 7.059976 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=730) -1 -12.463572 19.423061 10.984292 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=730) -1 -13.125013 18.904639 10.472120 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=730) -1 -12.577051 19.055601 11.868446 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=731) -1 -10.313407 6.809521 -6.884467 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=731) -1 -9.439868 6.948554 -7.324442 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=731) -1 -10.658029 6.077504 -7.445746 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=732) -1 -12.187585 -21.530876 4.985908 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=732) -1 -13.131957 -21.559868 5.259529 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=732) -1 -11.748294 -21.578845 5.861128 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=733) -1 -3.226416 -2.805893 20.504501 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=733) -1 -3.556429 -2.267224 21.261358 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=733) -1 -3.401550 -2.177335 19.768988 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=734) -1 2.249837 12.017403 -4.068841 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=734) -1 1.690725 12.116349 -3.257471 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=734) -1 1.561528 11.998136 -4.751468 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=735) -1 -14.682269 31.632634 -4.499172 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=735) -1 -13.930247 31.086234 -4.167938 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=735) -1 -14.977218 32.013138 -3.630206 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=736) -1 30.342730 4.196958 0.220926 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=736) -1 31.159744 4.724901 0.435281 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=736) -1 30.726211 3.639462 -0.501153 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=737) -1 -5.617267 -18.873006 13.328245 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=737) -1 -5.352722 -18.013546 12.906100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=737) -1 -6.311244 -19.142876 12.681207 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=738) -1 7.591214 -8.401918 7.200679 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=738) -1 6.875243 -7.939249 6.697640 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=738) -1 8.141284 -8.689493 6.427475 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=739) -1 -24.312348 10.285030 6.149703 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=739) -1 -24.370622 9.355074 5.805251 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=739) -1 -23.505414 10.172972 6.714414 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=740) -1 -10.395126 26.501283 -0.408349 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=740) -1 -9.520626 26.705448 0.001617 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=740) -1 -10.080102 25.941001 -1.160986 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=741) -1 -0.944952 -17.455796 -6.579322 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=741) -1 -0.559948 -18.232339 -7.009721 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=741) -1 -1.882323 -17.524296 -6.877623 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=742) -1 7.949404 1.946448 12.969918 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=742) -1 7.085334 1.536828 12.812593 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=742) -1 7.772346 2.864260 12.639949 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=743) -1 28.974364 10.957466 14.370062 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=743) -1 29.846716 11.020519 14.786389 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=743) -1 28.915582 9.977516 14.236334 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=744) -1 -9.641316 2.770474 17.718859 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=744) -1 -9.944697 3.115868 16.853487 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=744) -1 -9.585785 1.809850 17.515218 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=745) -1 1.076446 -5.488949 -7.754353 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=745) -1 1.145107 -4.722370 -7.125327 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=745) -1 2.037617 -5.544579 -8.009063 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=746) -1 19.665304 -14.487417 7.079888 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=746) -1 19.666536 -14.426330 6.090638 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=746) -1 20.616470 -14.234466 7.230613 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=747) -1 33.535887 -0.723858 5.450255 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=747) -1 34.251276 -0.489892 4.812655 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=747) -1 33.583454 0.066912 6.037449 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=748) -1 -20.338476 21.724304 -7.003971 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=748) -1 -21.276885 22.005526 -7.111726 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=748) -1 -20.131446 21.458276 -7.922972 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=749) -1 -11.001648 23.574277 -14.556924 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=749) -1 -10.253329 23.093120 -14.143493 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=749) -1 -10.635692 24.487779 -14.557751 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=750) -1 -9.747388 -2.453351 22.907129 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=750) -1 -9.333667 -1.583419 22.740350 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=750) -1 -10.596441 -2.198505 23.285599 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=751) -1 -29.155717 -12.432030 -8.221821 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=751) -1 -28.651020 -11.580918 -8.256683 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=751) -1 -28.977788 -12.756152 -9.132685 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=752) -1 -27.449955 -6.296959 -5.533610 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=752) -1 -26.686911 -6.333697 -4.916910 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=752) -1 -27.207926 -5.477307 -6.035204 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=753) -1 11.924310 1.926879 14.307749 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=753) -1 11.476949 1.615177 13.478779 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=753) -1 11.117751 2.200210 14.810552 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=754) -1 -1.537594 -2.065425 13.975064 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=754) -1 -1.831622 -1.842173 14.896191 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=754) -1 -0.869359 -2.762429 14.199488 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=755) -1 28.684000 5.546337 -11.460516 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=755) -1 28.126410 6.312727 -11.214729 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=755) -1 28.225310 5.256243 -12.282881 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=756) -1 -0.712797 12.904576 0.659949 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=756) -1 -0.312955 13.491446 -0.004018 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=756) -1 -0.012312 12.208375 0.718802 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=757) -1 28.065643 -7.490044 -2.943084 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=757) -1 28.309159 -8.176381 -2.275815 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=757) -1 27.493182 -8.048588 -3.527711 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=758) -1 -11.318994 -22.518293 -6.945237 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=758) -1 -11.344097 -23.376860 -6.458614 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=758) -1 -12.043435 -22.644202 -7.573401 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=759) -1 -8.735096 -10.387870 19.216055 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=759) -1 -8.019440 -11.068144 19.157177 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=759) -1 -8.305664 -9.780262 19.871032 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=760) -1 3.102246 0.663334 -12.917116 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=760) -1 2.544408 0.152175 -12.291483 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=760) -1 2.983503 1.567046 -12.550402 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=761) -1 14.053561 21.641463 4.625656 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=761) -1 14.667921 22.319276 4.276126 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=761) -1 14.633350 21.221747 5.299837 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=762) -1 22.062170 -13.247018 -2.546438 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=762) -1 22.728516 -13.352441 -3.269179 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=762) -1 22.029928 -12.266892 -2.506389 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=763) -1 -17.286506 16.044788 3.852786 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=763) -1 -17.628484 16.391046 4.710314 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=763) -1 -17.257708 15.078872 4.094203 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=764) -1 9.702652 -16.955121 0.730875 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=764) -1 10.046327 -16.094990 1.085419 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=764) -1 8.847517 -16.616019 0.356694 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=765) -1 -6.798727 6.899592 16.113267 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=765) -1 -6.064084 6.975993 16.774185 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=765) -1 -6.599959 5.992290 15.777863 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=766) -1 -14.700186 28.062905 -14.121920 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=766) -1 -14.099308 27.281673 -14.266655 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=766) -1 -14.018132 28.700112 -13.794636 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=767) -1 13.751776 5.257728 -21.474352 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=767) -1 13.543962 5.898322 -20.767107 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=767) -1 13.220918 4.487763 -21.171257 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=768) -1 -7.567953 9.296617 15.225084 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=768) -1 -8.537255 9.126550 15.301851 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=768) -1 -7.234820 8.408594 15.511683 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=769) -1 -8.862562 19.200056 -5.229306 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=769) -1 -9.178249 18.720040 -6.025438 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=769) -1 -9.325347 18.676176 -4.531830 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=770) -1 -12.556604 -18.584754 8.039113 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=770) -1 -13.287964 -18.934835 7.483149 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=770) -1 -13.097901 -18.098709 8.710880 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=771) -1 -4.737838 -6.867411 -10.421230 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=771) -1 -3.993909 -6.823923 -9.759614 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=771) -1 -4.845535 -5.895151 -10.568913 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=772) -1 11.018409 6.995183 -11.903490 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=772) -1 11.098737 7.831835 -12.421907 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=772) -1 11.833025 7.071086 -11.357546 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=773) -1 -27.091946 23.749689 -2.792106 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=773) -1 -26.653384 24.102436 -1.977407 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=773) -1 -27.904614 23.378041 -2.374450 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=774) -1 -14.832176 11.906193 6.031408 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=774) -1 -13.925190 11.562981 5.809254 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=774) -1 -15.062225 11.241794 6.732785 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=775) -1 15.175502 5.779138 12.685323 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=775) -1 14.617834 5.046570 13.023919 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=775) -1 15.953698 5.257668 12.366425 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=776) -1 -26.500002 4.188745 3.651419 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=776) -1 -25.912588 3.669979 4.250021 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=776) -1 -26.757229 3.475400 3.024122 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=777) -1 -26.317944 22.414614 -4.990818 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=777) -1 -26.628238 23.059475 -4.297734 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=777) -1 -26.721451 21.596137 -4.594008 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=778) -1 9.471515 4.855284 -16.283311 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=778) -1 9.717380 5.696915 -16.755033 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=778) -1 9.989916 4.227553 -16.850169 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=779) -1 9.276083 -16.133955 -6.870249 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=779) -1 10.159715 -15.679364 -6.976274 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=779) -1 9.103780 -16.342971 -7.809314 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=780) -1 35.917009 7.530105 2.262180 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=780) -1 35.763840 8.225595 2.926908 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=780) -1 34.994958 7.410120 1.929378 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=781) -1 -6.384924 -3.386787 22.016339 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=781) -1 -6.976259 -2.798169 21.497292 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=781) -1 -5.725319 -2.727554 22.328937 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=782) -1 -27.449452 20.435719 -3.539653 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=782) -1 -27.013651 20.298303 -2.676760 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=782) -1 -28.387153 20.306987 -3.286695 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=783) -1 23.550474 9.244788 -0.989522 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=783) -1 24.281303 8.730666 -0.599571 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=783) -1 23.655029 9.033113 -1.938561 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=784) -1 6.845628 5.783814 9.914219 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=784) -1 5.987478 5.374314 9.660320 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=784) -1 6.986447 5.357733 10.786609 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=785) -1 -23.755367 3.168063 -6.795936 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=785) -1 -23.126844 3.048824 -6.026525 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=785) -1 -23.746280 2.240079 -7.129601 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=786) -1 3.356071 4.472484 5.111068 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=786) -1 2.963174 4.606210 4.218422 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=786) -1 4.284429 4.248095 4.840045 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=787) -1 7.971828 -15.783839 6.285215 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=787) -1 8.413134 -15.281449 7.008950 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=787) -1 8.761913 -16.222393 5.889549 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=788) -1 -13.915795 1.629563 -13.753608 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=788) -1 -14.152776 1.465638 -12.813731 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=788) -1 -14.721288 1.242719 -14.189236 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=789) -1 27.772626 -12.701837 -10.239860 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=789) -1 26.849272 -12.405066 -10.081833 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=789) -1 27.767207 -12.690587 -11.230436 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=790) -1 -12.010372 -16.010652 -10.910368 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=790) -1 -12.913833 -15.827942 -10.595053 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=790) -1 -12.222055 -16.555772 -11.712854 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=791) -1 -16.803718 -10.117951 -14.346098 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=791) -1 -15.847709 -10.156170 -14.156906 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=791) -1 -17.061334 -9.321426 -13.852152 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=792) -1 26.978658 3.350704 -2.525127 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=792) -1 26.739121 4.151792 -3.044343 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=792) -1 27.189413 3.779157 -1.661070 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=793) -1 1.618061 8.291524 -2.299289 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=793) -1 2.162450 7.457779 -2.262790 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=793) -1 1.120774 8.187181 -1.462973 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=794) -1 12.428560 8.085002 -15.858041 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=794) -1 13.088051 8.817875 -15.832186 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=794) -1 12.905509 7.411837 -15.325244 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=795) -1 7.607660 -15.448026 -0.156022 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=795) -1 7.903870 -14.535803 -0.363379 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=795) -1 6.678091 -15.407227 -0.419268 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=796) -1 37.912445 -4.362226 3.219470 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=796) -1 37.709453 -3.613383 3.823358 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=796) -1 37.501465 -5.098839 3.688425 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=797) -1 -8.940840 -15.447111 -1.218293 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=797) -1 -8.643018 -15.460526 -2.157630 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=797) -1 -8.910110 -16.422754 -1.034395 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=798) -1 28.767516 5.419385 7.575085 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=798) -1 28.881395 6.305137 7.148437 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=798) -1 27.848453 5.226510 7.316151 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=799) -1 -12.136122 5.402193 -13.778776 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=799) -1 -11.203048 5.500101 -13.526578 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=799) -1 -12.028378 4.831626 -14.587484 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=801) -1 30.913384 -6.654705 2.192713 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=801) -1 30.335816 -6.888382 1.441003 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=801) -1 30.251286 -6.550169 2.907962 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=802) -1 -7.580683 20.848317 -3.554988 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=802) -1 -7.517727 20.111321 -2.890668 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=802) -1 -8.035666 20.327932 -4.275868 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=803) -1 34.919583 3.299792 5.559588 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=803) -1 35.342517 3.001645 4.717709 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=803) -1 35.059961 4.255617 5.498331 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=804) -1 -8.995224 -23.098700 5.229314 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=804) -1 -9.556330 -23.011871 4.434751 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=804) -1 -9.606270 -22.789049 5.925541 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=805) -1 3.488028 -0.204749 -3.917108 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=805) -1 4.068247 0.363192 -4.475725 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=805) -1 2.709200 0.405691 -3.850268 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=806) -1 -26.432907 -1.653616 6.336628 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=806) -1 -27.088644 -2.326517 6.574865 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=806) -1 -25.612815 -2.218391 6.320697 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=807) -1 -12.063492 5.224483 13.676158 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=807) -1 -12.575957 5.177779 12.829992 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=807) -1 -11.729915 6.162295 13.574202 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=808) -1 6.390556 -0.785810 -11.316576 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=808) -1 6.680798 -1.568229 -11.844927 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=808) -1 6.243118 -1.231206 -10.448855 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=809) -1 -15.498015 29.833290 -7.790310 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=809) -1 -14.647277 29.719355 -7.293798 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=809) -1 -15.140680 30.321272 -8.572648 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=810) -1 13.866198 0.029796 14.729706 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=810) -1 14.471280 0.548494 15.275892 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=810) -1 13.137323 0.675183 14.590582 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=811) -1 -10.716817 -17.187195 -8.799887 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=811) -1 -11.066100 -18.092738 -9.019525 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=811) -1 -11.169935 -16.688546 -9.526418 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=812) -1 -19.372751 -21.820208 1.211655 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=812) -1 -20.103189 -21.804646 0.556814 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=812) -1 -18.617403 -22.026959 0.618125 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=813) -1 -16.471000 -4.923046 12.942324 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=813) -1 -16.570743 -4.253598 12.225920 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=813) -1 -15.762147 -5.478199 12.554315 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=814) -1 -0.592673 -16.741129 -0.244930 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=814) -1 -1.203197 -17.431658 0.095351 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=814) -1 -0.250670 -16.382657 0.599958 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=815) -1 -1.837131 -15.805369 -10.987804 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=815) -1 -2.097166 -14.947798 -11.377002 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=815) -1 -1.007838 -15.522256 -10.516828 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=816) -1 11.785094 9.101784 -13.389005 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=816) -1 11.683943 8.914889 -14.352095 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=816) -1 12.657050 8.625718 -13.252183 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=817) -1 22.638652 -2.846742 -18.320435 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=817) -1 22.515532 -1.902520 -18.515734 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=817) -1 21.868489 -3.012307 -17.734667 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=818) -1 -17.259074 21.280834 -11.144405 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=818) -1 -16.913706 20.454831 -11.561479 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=818) -1 -16.407594 21.679181 -10.851137 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=819) -1 26.437286 11.777444 8.631483 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=819) -1 26.898086 10.984315 8.236615 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=819) -1 25.931041 12.040705 7.819253 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=820) -1 -26.577797 0.275580 -0.328098 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=820) -1 -26.961970 0.937101 0.268403 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=820) -1 -27.032033 0.467242 -1.166478 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=821) -1 -6.061200 0.556203 22.505429 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=821) -1 -5.872969 1.406124 22.041861 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=821) -1 -7.038806 0.547906 22.459600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=822) -1 -7.930632 7.380299 -8.129107 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=822) -1 -7.569351 6.686722 -8.717293 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=822) -1 -7.085540 7.763635 -7.785671 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=823) -1 -22.619609 3.481071 6.754373 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=823) -1 -21.852773 2.999408 7.146211 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=823) -1 -22.123230 4.257973 6.378243 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=824) -1 17.177737 20.102289 -3.128760 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=824) -1 17.896943 19.920745 -3.777702 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=824) -1 17.028804 19.194534 -2.791273 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=825) -1 11.255283 10.489987 11.080384 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=825) -1 12.178251 10.851080 11.046796 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=825) -1 11.415370 9.597269 10.715352 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=826) -1 25.103875 -5.948398 -15.051673 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=826) -1 25.264252 -5.339155 -14.290747 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=826) -1 24.995912 -5.271113 -15.766100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=827) -1 -7.583075 25.356882 -8.860626 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=827) -1 -6.906490 24.730233 -8.473287 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=827) -1 -7.680190 25.944472 -8.068930 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=828) -1 -10.660217 13.528053 16.274986 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=828) -1 -9.692289 13.640660 16.393740 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=828) -1 -10.658382 12.668694 15.786900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=829) -1 -16.241976 15.666208 14.755905 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=829) -1 -15.616607 16.349011 15.079149 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=829) -1 -16.755372 16.178279 14.104755 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=830) -1 -16.315294 30.145705 -13.348129 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=830) -1 -17.188359 29.992275 -13.786722 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=830) -1 -15.846234 29.333844 -13.648731 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=831) -1 -18.182921 4.666827 15.187426 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=831) -1 -18.362311 5.624093 15.195663 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=831) -1 -18.483691 4.430307 14.285389 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=832) -1 -23.855492 23.734554 2.021679 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=832) -1 -23.511217 24.236461 1.255043 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=832) -1 -23.037790 23.295792 2.334432 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=833) -1 34.952188 -2.513535 6.853324 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=833) -1 34.470513 -3.373021 6.794648 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=833) -1 34.331850 -1.953831 6.322145 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=834) -1 -8.714776 -4.868403 21.990121 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=834) -1 -9.201148 -4.088396 22.345503 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=834) -1 -7.794619 -4.537068 22.077958 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=835) -1 -31.553403 -17.574423 -1.945747 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=835) -1 -31.084600 -18.035837 -1.201879 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=835) -1 -31.842561 -18.366412 -2.454517 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=836) -1 -17.322939 12.059573 13.700084 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=836) -1 -17.871499 11.289131 13.967526 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=836) -1 -16.646136 11.589993 13.145941 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=837) -1 0.925716 -0.651019 11.202495 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=837) -1 0.308711 -1.278128 10.790963 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=837) -1 0.349297 0.173362 11.172840 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=838) -1 -18.990109 -0.473259 -1.672363 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=838) -1 -18.329492 -0.776715 -1.023742 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=838) -1 -18.557670 0.340510 -2.005976 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=839) -1 19.700454 16.413630 11.217128 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=839) -1 20.181391 15.613654 10.876032 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=839) -1 18.940943 16.420360 10.616460 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=840) -1 32.831064 9.030092 -0.083050 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=840) -1 32.480671 8.289073 -0.655428 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=840) -1 33.067493 8.468082 0.706416 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=841) -1 -9.743545 12.646022 -6.472939 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=841) -1 -10.548122 12.286497 -6.918211 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=841) -1 -9.109978 11.925181 -6.702458 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=842) -1 -14.062343 28.470993 0.477654 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=842) -1 -13.745790 28.005111 1.284775 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=842) -1 -14.930719 28.037984 0.352850 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=843) -1 8.956548 5.312882 14.444201 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=843) -1 9.775685 5.761982 14.165428 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=843) -1 9.311701 4.496938 14.841067 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=844) -1 -22.923665 -12.606726 -14.398468 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=844) -1 -22.023820 -12.998433 -14.467299 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=844) -1 -22.738884 -11.867111 -13.787633 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=845) -1 6.982432 14.431652 -5.436092 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=845) -1 6.012261 14.313684 -5.303451 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=845) -1 6.964326 14.870309 -6.324301 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=846) -1 13.510190 -16.222192 -10.306315 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=846) -1 13.586436 -16.117665 -9.323675 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=846) -1 12.544482 -16.109946 -10.405743 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=847) -1 -0.935560 1.018180 15.272361 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=847) -1 -0.131101 0.511333 15.009672 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=847) -1 -1.129138 1.438308 14.387397 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=848) -1 -24.769067 6.158962 2.995869 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=848) -1 -25.539824 5.583137 3.199550 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=848) -1 -24.805930 6.789011 3.731985 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=849) -1 10.126568 -13.956550 4.345549 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=849) -1 10.260825 -14.878352 4.676415 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=849) -1 10.429093 -13.458424 5.140466 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=850) -1 -9.507792 11.513225 -3.890398 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=850) -1 -8.613629 11.821876 -3.620790 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=850) -1 -9.690717 12.139482 -4.620853 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=851) -1 -24.356916 -26.794296 -4.705307 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=851) -1 -24.045958 -26.359252 -5.539320 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=851) -1 -23.574697 -26.603507 -4.137381 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=852) -1 -21.087446 22.837239 -11.292830 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=852) -1 -20.725991 22.145280 -10.694321 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=852) -1 -20.484740 22.707954 -12.063390 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=853) -1 -30.170842 -18.799995 -5.730573 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=853) -1 -29.431588 -18.533340 -6.337320 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=853) -1 -30.162056 -17.986977 -5.152494 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=854) -1 5.707224 0.776642 -13.405412 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=854) -1 5.914794 0.204500 -12.624469 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=854) -1 4.719005 0.661427 -13.404796 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=855) -1 -20.237864 23.200176 7.414589 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=855) -1 -20.758249 23.528394 8.193412 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=855) -1 -20.209600 22.244032 7.646530 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=856) -1 -17.895202 17.081332 -11.703653 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=856) -1 -17.340651 16.342975 -12.050474 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=856) -1 -18.145703 16.690831 -10.830825 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=857) -1 3.077403 -5.089658 -2.428714 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=857) -1 3.005385 -4.310260 -3.018175 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=857) -1 2.980021 -4.643374 -1.550459 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=858) -1 -5.660743 4.992892 19.710782 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=858) -1 -6.528699 4.886386 19.252300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=858) -1 -5.259642 5.682030 19.139801 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=859) -1 7.589841 12.232578 -3.933939 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=859) -1 8.470411 12.385645 -3.506028 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=859) -1 7.473989 13.110604 -4.368059 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=860) -1 -11.680216 9.983978 -3.736367 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=860) -1 -11.626907 9.699467 -4.680282 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=860) -1 -10.871722 10.565504 -3.717502 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=861) -1 -12.199156 27.264715 -8.089486 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=861) -1 -12.834004 26.599307 -8.444376 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=861) -1 -11.818172 26.737591 -7.345561 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=862) -1 -11.962647 13.266523 -13.824004 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=862) -1 -11.533875 12.633849 -14.417728 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=862) -1 -12.394884 12.648377 -13.185026 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=863) -1 32.897706 -0.394598 12.975775 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=863) -1 32.840604 0.580925 12.963134 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=863) -1 33.766650 -0.515205 12.522855 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=864) -1 -14.868412 -21.338370 5.530675 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=864) -1 -14.945799 -20.615961 6.206666 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=864) -1 -15.748155 -21.768810 5.681898 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=865) -1 1.817098 -13.174963 -1.473587 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=865) -1 1.792858 -13.325891 -0.494455 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=865) -1 1.205280 -13.894685 -1.755947 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=866) -1 -26.855509 -12.605839 -0.177283 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=866) -1 -25.963784 -12.477239 -0.587364 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=866) -1 -26.991935 -11.679622 0.148848 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=867) -1 9.437343 2.624257 15.169596 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=867) -1 8.901981 2.337611 14.394838 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=867) -1 8.875776 2.334104 15.901147 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=868) -1 -8.304177 -0.026287 12.431462 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=868) -1 -7.745020 -0.245672 11.645206 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=868) -1 -7.667177 0.531400 12.926218 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=869) -1 16.038086 20.308704 5.974908 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=869) -1 16.421746 20.101334 5.096745 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=869) -1 16.008349 19.416656 6.374634 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=870) -1 35.465833 -5.901457 0.291813 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=870) -1 34.921161 -5.787120 -0.512699 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=870) -1 34.847239 -6.406860 0.857465 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=871) -1 -13.052734 11.406242 14.491071 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=871) -1 -13.875237 11.904481 14.667035 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=871) -1 -13.419101 10.584662 14.100530 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=872) -1 -2.308781 -1.214275 16.386408 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=872) -1 -1.913974 -0.325643 16.309770 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=872) -1 -2.863870 -1.116954 17.178486 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=873) -1 -0.562580 -7.546779 -7.527653 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=873) -1 0.030773 -6.753803 -7.626914 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=873) -1 -0.136057 -8.152037 -8.154416 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=874) -1 -20.484761 9.179202 0.159437 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=874) -1 -20.852096 9.092461 1.081659 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=874) -1 -21.136773 8.644512 -0.323684 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=875) -1 -25.394824 22.105528 -7.501650 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=875) -1 -25.798155 22.267922 -6.614307 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=875) -1 -25.992920 21.430665 -7.849307 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=876) -1 13.626490 -11.036551 9.319545 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=876) -1 13.355964 -10.402179 10.005194 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=876) -1 14.357375 -11.503395 9.815035 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=877) -1 27.817142 1.330486 15.391369 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=877) -1 27.692972 0.346923 15.332782 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=877) -1 27.019418 1.605526 14.884591 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=878) -1 -17.356568 13.609431 4.955529 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=878) -1 -17.255264 12.682611 4.648014 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=878) -1 -16.989662 13.529433 5.862383 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=879) -1 -8.027625 22.627210 -1.442780 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=879) -1 -8.047837 21.860617 -0.811822 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=879) -1 -7.842982 22.119980 -2.271713 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=880) -1 -21.515471 8.998220 10.292475 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=880) -1 -21.199223 9.432430 11.122821 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=880) -1 -21.111468 8.109408 10.414809 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=881) -1 -26.621018 16.712812 -0.665840 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=881) -1 -26.532533 15.980713 -1.291672 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=881) -1 -25.829590 16.565537 -0.097142 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=882) -1 24.887732 -11.982644 5.008953 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=882) -1 24.501729 -12.692684 4.435035 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=882) -1 24.644335 -12.350650 5.890994 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=883) -1 16.034278 3.850028 -21.734382 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=883) -1 16.512562 4.278491 -20.988790 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=883) -1 15.243632 4.438333 -21.781334 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=884) -1 10.715388 12.962428 -0.124950 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=884) -1 11.442228 13.609166 0.039568 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=884) -1 10.202275 13.089314 0.706020 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=885) -1 -15.358422 10.987852 12.294859 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=885) -1 -15.109372 11.207162 11.377493 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=885) -1 -14.730830 10.260738 12.488850 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=886) -1 -1.837289 -10.187091 15.045551 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=886) -1 -1.982152 -11.164441 15.078817 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=886) -1 -0.898515 -10.191009 14.725684 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=887) -1 21.698933 0.220369 15.698519 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=887) -1 21.806095 -0.572481 15.140824 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=887) -1 22.518505 0.218438 16.208795 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=888) -1 -10.953400 25.286744 1.995554 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=888) -1 -10.940824 25.750933 1.124063 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=888) -1 -10.127247 24.757816 1.896317 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=889) -1 25.701203 -13.423998 12.328331 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=889) -1 25.168002 -13.204937 11.542550 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=889) -1 25.505054 -12.655917 12.904297 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=890) -1 6.391012 3.381861 -10.059717 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=890) -1 6.127029 3.531642 -10.997592 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=890) -1 7.077272 2.687461 -10.200920 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=891) -1 -4.476328 -10.910790 14.997555 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=891) -1 -3.673172 -10.371696 14.827172 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=891) -1 -4.078284 -11.810168 14.939161 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=892) -1 -29.763009 -14.248164 -6.381408 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=892) -1 -29.664153 -14.985780 -7.029538 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=892) -1 -29.544208 -13.492998 -6.993513 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=893) -1 -6.536257 -0.252607 -13.193491 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=893) -1 -6.744587 0.527136 -13.742486 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=893) -1 -7.279571 -0.189105 -12.536987 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=894) -1 -18.023376 7.527658 14.698905 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=894) -1 -17.046600 7.434070 14.713272 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=894) -1 -18.187516 7.301615 13.748469 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=895) -1 25.246568 -10.111996 10.204322 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=895) -1 24.941160 -10.998321 10.483373 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=895) -1 25.252421 -9.645141 11.069446 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=896) -1 11.461040 6.342894 13.424848 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=896) -1 12.062673 6.891098 12.855968 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=896) -1 11.613772 6.830314 14.282403 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=897) -1 -14.096467 -15.141083 18.055733 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=897) -1 -14.076031 -15.957119 18.609479 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=897) -1 -13.323527 -14.668351 18.438342 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=898) -1 20.060756 -14.165575 4.416032 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=898) -1 19.840593 -13.228672 4.223667 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=898) -1 19.792303 -14.569066 3.549157 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=899) -1 9.315518 10.943665 3.112940 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=899) -1 9.337460 11.877827 2.829787 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=899) -1 9.948030 10.542471 2.491106 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=900) -1 -25.419059 -10.458301 -10.120150 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=900) -1 -25.522974 -11.342938 -10.548901 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=900) -1 -24.490140 -10.260401 -10.421464 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=901) -1 27.959269 5.811549 -6.184322 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=901) -1 27.698319 5.012916 -6.702122 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=901) -1 27.809573 6.502000 -6.874993 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=902) -1 -26.624344 -9.910463 0.349688 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=902) -1 -27.266341 -9.189621 0.275327 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=902) -1 -25.796771 -9.391965 0.508833 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=903) -1 34.040542 1.336072 7.151528 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=903) -1 33.501889 1.853115 7.783307 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=903) -1 34.382405 2.075391 6.584401 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=904) -1 -12.416195 19.603965 6.326871 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=904) -1 -11.524446 19.507252 5.943578 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=904) -1 -12.198698 19.892472 7.235185 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=905) -1 33.505313 -7.235966 1.776394 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=905) -1 32.579616 -6.978761 2.031514 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=905) -1 33.891683 -7.298542 2.685075 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=906) -1 -26.409682 23.048644 2.059959 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=906) -1 -25.483272 23.410351 2.146809 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=906) -1 -26.248898 22.176457 2.506718 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=907) -1 2.589121 -15.323225 10.712150 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=907) -1 2.004142 -15.437893 9.915069 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=907) -1 2.775085 -16.255595 10.911272 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=908) -1 -22.926682 13.138348 0.813653 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=908) -1 -22.217758 13.656999 0.366333 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=908) -1 -22.673313 12.236535 0.564865 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=909) -1 13.575416 -18.201086 -4.775073 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=909) -1 12.644723 -18.109880 -5.088814 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=909) -1 13.429547 -18.912456 -4.095920 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=910) -1 9.300619 -6.451315 8.096969 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=910) -1 8.609589 -7.108630 7.883887 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=910) -1 8.770935 -5.627732 8.117259 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=911) -1 -27.819816 -16.137754 -10.482338 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=911) -1 -27.790452 -17.137190 -10.558420 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=911) -1 -26.830350 -16.011218 -10.337535 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=912) -1 12.184686 7.647192 15.633125 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=912) -1 13.028680 7.151562 15.779551 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=912) -1 12.534277 8.566935 15.737298 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=913) -1 -25.991293 24.304484 -0.404426 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=913) -1 -25.094969 24.644036 -0.208508 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=913) -1 -26.217484 23.888446 0.451548 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=914) -1 -1.763514 12.792775 3.290104 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=914) -1 -2.052542 11.908192 2.948011 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=914) -1 -1.402478 13.161340 2.450105 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=915) -1 19.237435 -17.216376 -8.976147 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=915) -1 19.826414 -17.238655 -9.762019 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=915) -1 19.688719 -16.533468 -8.439376 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=916) -1 -6.292678 10.847003 -5.480585 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=916) -1 -5.490312 10.571116 -4.964075 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=916) -1 -6.634421 11.532724 -4.858517 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=917) -1 24.119143 -12.748116 10.111250 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=917) -1 24.177206 -12.678722 9.128051 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=917) -1 23.481103 -13.490706 10.182726 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=918) -1 1.483692 -0.396982 -10.981216 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=918) -1 1.823959 -0.799428 -10.161510 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=918) -1 0.664245 -0.922139 -11.113835 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=919) -1 26.732310 -9.392202 -4.371817 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=919) -1 26.083540 -10.069708 -4.062987 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=919) -1 26.579151 -9.463582 -5.345996 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=920) -1 -11.005132 26.052347 -5.891797 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=920) -1 -10.222745 25.565949 -5.539440 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=920) -1 -11.567016 25.287507 -6.152821 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=921) -1 -21.732719 22.325252 3.085400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=921) -1 -21.223719 22.798284 3.785400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=921) -1 -22.253319 21.708118 3.649872 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=922) -1 -4.885129 -7.827613 20.954434 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=922) -1 -3.960066 -8.127857 20.780904 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=922) -1 -4.711244 -6.868009 21.103531 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=923) -1 30.190136 2.440793 16.003452 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=923) -1 30.533344 1.642157 16.477680 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=923) -1 29.287499 2.093087 15.777749 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=924) -1 -18.728768 10.750606 -7.774056 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=924) -1 -19.595845 11.072996 -8.125244 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=924) -1 -18.979649 9.813578 -7.595128 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=925) -1 12.615821 -17.214390 6.596423 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=925) -1 13.153738 -17.963676 6.894469 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=925) -1 13.177976 -16.874250 5.857378 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=926) -1 -20.565544 6.617736 -14.663990 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=926) -1 -20.033257 5.897382 -15.075208 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=926) -1 -21.463341 6.213342 -14.747891 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=927) -1 -13.565506 8.629280 -8.061626 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=927) -1 -13.531301 8.836855 -7.105755 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=927) -1 -14.410588 8.116281 -8.090004 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=929) -1 -30.020812 -24.696124 -5.322839 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=929) -1 -29.602728 -25.595289 -5.293386 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=929) -1 -29.877179 -24.497584 -6.282055 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=930) -1 23.664774 -7.842936 -16.389607 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=930) -1 22.742389 -7.857093 -16.063533 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=930) -1 24.064246 -7.197830 -15.764227 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=931) -1 -23.340225 25.161736 -0.270428 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=931) -1 -22.607330 25.791786 -0.079566 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=931) -1 -23.385132 25.229413 -1.237484 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=932) -1 -15.487170 4.210310 13.007347 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=932) -1 -16.027678 3.790967 12.295353 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=932) -1 -14.721417 4.510470 12.461379 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=933) -1 -28.708392 18.416135 -0.567690 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=933) -1 -27.982635 17.745103 -0.616909 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=933) -1 -28.465800 18.850472 0.279990 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=934) -1 0.433293 -3.249566 -9.382002 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=934) -1 0.578621 -4.097217 -8.916030 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=934) -1 1.096539 -2.684781 -8.927324 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=935) -1 -9.225082 22.303835 -12.929635 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=935) -1 -8.747384 22.662759 -12.149401 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=935) -1 -10.062827 22.020169 -12.507778 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=936) -1 -25.872718 0.948208 7.082916 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=936) -1 -26.061922 1.296640 6.193065 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=936) -1 -26.081269 -0.003064 6.947621 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=937) -1 21.512496 15.092259 -1.871475 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=937) -1 20.691501 15.630411 -1.949531 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=937) -1 21.806449 15.334285 -0.981550 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=938) -1 -28.335213 -23.469975 -3.595272 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=938) -1 -28.936524 -23.980822 -4.191728 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=938) -1 -29.004341 -22.874099 -3.178561 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=939) -1 24.316681 -0.988620 -12.596461 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=939) -1 24.983330 -1.345886 -11.981355 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=939) -1 23.491761 -1.336620 -12.195226 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=940) -1 23.762273 12.180550 12.087353 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=940) -1 22.786893 12.148711 12.268577 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=940) -1 23.786808 13.054588 11.621155 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=941) -1 3.236686 -1.958074 11.898095 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=941) -1 2.452355 -1.434755 11.613113 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=941) -1 3.603801 -2.196048 11.019783 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=942) -1 -25.943454 4.669545 -6.694041 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=942) -1 -25.182287 4.037659 -6.744787 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=942) -1 -26.655662 4.026483 -6.459051 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=943) -1 23.434832 16.148335 13.089869 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=943) -1 24.327961 15.725515 13.175611 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=943) -1 23.639786 17.044716 13.392251 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=944) -1 -3.406090 4.767348 16.630178 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=944) -1 -3.764743 3.851368 16.675941 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=944) -1 -2.597969 4.579363 16.081037 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=945) -1 -9.609601 -14.872022 -11.812703 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=945) -1 -9.168232 -15.020008 -10.945319 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=945) -1 -10.506436 -15.220128 -11.596083 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=946) -1 14.496350 6.250472 15.480765 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=946) -1 14.108778 5.406247 15.156187 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=946) -1 15.104868 6.452376 14.746877 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=947) -1 -4.792438 -4.092397 -10.796904 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=947) -1 -3.818630 -3.999588 -10.940402 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=947) -1 -5.026514 -3.129045 -10.751743 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=948) -1 -17.172119 1.713095 -17.235689 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=948) -1 -18.139327 1.727267 -17.122176 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=948) -1 -16.942995 2.623705 -16.940453 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=949) -1 22.320545 11.550524 -0.492189 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=949) -1 22.738019 11.746242 0.391674 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=949) -1 22.779823 10.683953 -0.665206 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=950) -1 -3.197966 -16.924289 -13.075450 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=950) -1 -2.629285 -16.710190 -12.300387 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=950) -1 -2.699940 -17.648148 -13.477306 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=951) -1 -24.061221 -5.382677 1.007365 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=951) -1 -24.090973 -4.614216 1.622017 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=951) -1 -23.185035 -5.749803 1.239681 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=952) -1 -8.468602 10.249354 -7.032905 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=952) -1 -7.660147 10.426235 -6.491834 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=952) -1 -8.140094 9.512807 -7.584772 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=953) -1 -21.160174 11.598316 -8.657052 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=953) -1 -21.335391 10.721138 -9.087110 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=953) -1 -21.861121 11.575809 -7.967755 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=954) -1 27.202392 -13.911581 -7.903508 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=954) -1 27.653929 -13.539218 -8.704733 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=954) -1 26.581907 -14.528773 -8.365633 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=955) -1 -12.266908 -19.254980 14.340268 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=955) -1 -12.010582 -20.047669 13.807132 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=955) -1 -11.934195 -18.555822 13.715062 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=956) -1 20.732780 -17.023214 -11.328347 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=956) -1 19.897277 -16.605471 -11.691800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=956) -1 20.980363 -17.526182 -12.147880 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=957) -1 3.403683 9.845695 -0.173255 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=957) -1 4.308824 9.541899 0.060820 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=957) -1 3.503261 9.922476 -1.146254 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=958) -1 26.763197 -11.230043 -1.350744 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=958) -1 26.601655 -12.130880 -1.038122 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=958) -1 26.128591 -11.180980 -2.104126 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=959) -1 -3.745179 -17.048361 9.929292 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=959) -1 -4.210332 -16.810693 10.772667 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=959) -1 -4.553739 -17.130558 9.346171 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=960) -1 3.807717 3.823652 -9.279401 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=960) -1 4.778254 3.699932 -9.371605 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=960) -1 3.719975 3.836746 -8.306204 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=961) -1 29.224206 -10.397383 -4.098493 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=961) -1 28.305814 -10.033176 -4.188544 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=961) -1 29.160268 -11.095764 -4.799622 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=962) -1 25.587195 10.082473 -10.896672 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=962) -1 24.823000 9.629866 -11.334388 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=962) -1 25.201264 10.992263 -10.835218 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=963) -1 -10.072409 -23.151044 -3.386113 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=963) -1 -9.144536 -22.831417 -3.341754 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=963) -1 -9.991410 -23.949150 -2.800250 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=964) -1 7.608716 4.491506 12.224882 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=964) -1 8.516815 4.634238 11.825977 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=964) -1 7.784989 4.938105 13.093221 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=965) -1 -20.403418 21.508226 0.883356 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=965) -1 -20.859416 21.658501 1.742613 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=965) -1 -19.544017 21.157819 1.202404 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=966) -1 -8.171036 -9.329827 -12.927354 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=966) -1 -7.583315 -8.529179 -12.900229 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=966) -1 -7.472391 -10.004336 -12.698296 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=967) -1 -6.667909 -17.597233 -3.772366 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=967) -1 -7.148253 -18.134560 -4.461506 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=967) -1 -7.336482 -16.878115 -3.670962 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=968) -1 -14.736333 4.258926 -13.951242 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=968) -1 -14.424118 3.324961 -13.982156 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=968) -1 -13.873008 4.722801 -13.989194 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=969) -1 -25.254211 18.117080 2.694083 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=969) -1 -25.178486 17.476471 3.446659 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=969) -1 -25.257441 17.465631 1.949772 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=970) -1 -10.308318 -25.402301 -2.019277 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=970) -1 -10.719487 -25.471166 -1.127557 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=970) -1 -10.979832 -25.894605 -2.544947 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=971) -1 1.132588 -15.685717 8.530662 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=971) -1 1.330239 -15.875760 7.586151 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=971) -1 0.199256 -15.999351 8.570135 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=972) -1 -9.303519 -14.858184 13.025100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=972) -1 -9.619394 -15.346004 13.813804 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=972) -1 -8.509022 -15.407256 12.805135 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=973) -1 -15.592080 1.809877 18.363858 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=973) -1 -15.803507 0.886491 18.090017 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=973) -1 -15.408548 1.652353 19.320428 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=974) -1 32.228375 2.160492 9.155191 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=974) -1 31.917527 1.225962 9.103085 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=974) -1 31.592482 2.560996 8.499779 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=975) -1 3.672495 9.944644 -2.974293 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=975) -1 3.253643 10.701804 -3.447092 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=975) -1 2.886432 9.359195 -2.876228 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=976) -1 -15.234368 13.177117 15.098264 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=976) -1 -15.994162 12.695502 14.689069 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=976) -1 -15.609920 14.095949 15.051300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=977) -1 36.632517 4.880798 2.016988 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=977) -1 36.531464 5.855985 2.091745 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=977) -1 36.103036 4.722711 1.199682 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=978) -1 -18.842881 4.163358 12.492895 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=978) -1 -18.129260 3.723302 11.965440 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=978) -1 -19.608690 3.973026 11.902391 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=979) -1 -14.293798 1.443476 20.736437 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=979) -1 -13.696490 2.180316 20.982584 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=979) -1 -13.638259 0.772090 20.460838 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=980) -1 -6.753105 -2.675889 -14.343057 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=980) -1 -6.307967 -2.485281 -15.182625 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=980) -1 -6.640652 -1.808873 -13.881082 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=981) -1 -28.085000 -18.056950 -7.297245 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=981) -1 -27.181243 -17.800558 -7.599016 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=981) -1 -28.600366 -17.313329 -7.694758 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=982) -1 23.585267 14.636127 -9.227310 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=982) -1 23.713671 14.794642 -8.267316 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=982) -1 22.626532 14.861873 -9.306530 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=983) -1 35.720424 -0.078873 3.954941 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=983) -1 35.592099 -0.057611 2.970923 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=983) -1 36.012315 0.856393 4.077037 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=984) -1 -19.556676 30.076600 -5.932563 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=984) -1 -18.594529 30.307751 -5.812412 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=984) -1 -19.853595 30.865678 -6.412042 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=985) -1 -1.109055 9.850440 -2.238289 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=985) -1 -0.986918 9.443765 -3.120645 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=985) -1 -0.851776 9.097001 -1.662347 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=986) -1 -26.184692 -3.158947 -12.237290 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=986) -1 -26.728717 -2.966821 -11.448313 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=986) -1 -25.935248 -4.099570 -12.030562 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=987) -1 6.591559 -10.047070 3.957152 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=987) -1 6.234235 -9.154000 3.735948 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=987) -1 7.477212 -9.770270 4.300728 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=988) -1 7.877009 1.023083 -14.963677 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=988) -1 8.376333 0.317410 -14.484237 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=988) -1 7.008587 0.933933 -14.491558 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=989) -1 -5.769299 8.637964 -7.146972 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=989) -1 -5.787684 9.440449 -6.587603 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=989) -1 -4.824842 8.387005 -7.066394 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=990) -1 -5.773050 -13.181394 -13.930059 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=990) -1 -6.742382 -13.204763 -13.695600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=990) -1 -5.848874 -13.046016 -14.889372 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=991) -1 17.621876 4.744702 -19.684691 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=991) -1 17.429159 5.164886 -18.806014 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=991) -1 18.372960 5.290331 -19.967709 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=992) -1 -10.303505 17.685051 -7.073330 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=992) -1 -11.184287 18.031846 -6.802556 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=992) -1 -10.405916 16.746688 -6.766264 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=993) -1 22.994119 10.771024 6.349778 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=993) -1 23.780885 11.359926 6.410676 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=993) -1 23.462940 9.923912 6.113579 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=994) -1 29.760507 -3.939060 12.369106 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=994) -1 29.541825 -3.375818 13.150948 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=994) -1 30.476647 -3.379743 11.978571 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=995) -1 13.378826 7.735879 12.043186 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=995) -1 13.796533 8.527136 12.460443 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=995) -1 14.105749 7.081262 12.196536 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=996) -1 5.653874 3.414298 -12.709631 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=996) -1 5.679344 2.465137 -12.984306 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=996) -1 6.360432 3.760537 -13.308252 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=997) -1 -16.123157 15.202378 -12.630457 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=997) -1 -15.433857 14.761792 -12.066433 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=997) -1 -16.514658 14.418183 -13.051149 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=998) -1 -12.436417 10.954786 5.450375 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=998) -1 -12.172260 10.274810 6.124819 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=998) -1 -12.276114 10.397794 4.639387 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=999) -1 -23.452566 11.170895 9.801321 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=999) -1 -23.226614 10.464382 10.441749 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=999) -1 -23.001449 10.797738 8.999050 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1000) -1 -2.872732 -6.503532 -8.553483 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1000) -1 -2.075199 -6.969725 -8.214844 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1000) -1 -2.902406 -5.754956 -7.909590 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1002) -1 -19.847738 1.632417 -16.130349 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1002) -1 -20.027696 0.667382 -16.284437 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1002) -1 -19.323379 1.534789 -15.283489 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1003) -1 -20.592387 -5.272737 -14.134786 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1003) -1 -20.001494 -5.344290 -13.350170 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1003) -1 -20.000238 -4.734366 -14.719972 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1004) -1 -8.634159 -15.354472 -9.276214 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1004) -1 -9.343180 -14.716240 -9.014611 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1004) -1 -9.084134 -16.194439 -9.033307 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1005) -1 10.854627 5.883928 8.988891 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1005) -1 10.053454 5.933805 8.428930 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1005) -1 11.133805 4.951865 8.794608 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1006) -1 -24.727005 -1.396804 0.646329 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1006) -1 -25.441410 -0.813463 0.275627 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1006) -1 -24.810598 -2.147557 0.008524 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1007) -1 -21.145241 8.840616 2.681683 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1007) -1 -21.539454 8.151308 3.275160 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1007) -1 -20.373857 9.095775 3.237886 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1008) -1 13.046205 -15.736912 2.129580 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1008) -1 13.563792 -15.061435 1.638642 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1008) -1 12.135632 -15.385506 1.988060 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1009) -1 -0.771112 -7.096019 18.606366 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1009) -1 -1.353617 -6.318916 18.811552 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1009) -1 -1.344583 -7.536111 17.930491 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1010) -1 -18.788296 -7.445719 15.998245 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1010) -1 -18.605202 -7.155130 15.066760 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1010) -1 -18.252087 -8.277977 15.991441 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1011) -1 -25.933543 -20.293037 -9.173477 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1011) -1 -25.758915 -19.359885 -8.904001 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1011) -1 -26.573660 -20.547021 -8.471790 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1012) -1 -27.096405 -2.612190 -9.655800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1012) -1 -26.175635 -2.946911 -9.521958 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1012) -1 -27.352290 -2.514681 -8.697049 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1013) -1 4.654492 -7.204070 -1.634711 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1013) -1 5.411870 -6.624221 -1.383478 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1013) -1 4.096675 -6.520279 -2.091767 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1014) -1 -20.386984 -0.985508 -16.245459 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1014) -1 -20.914889 -1.269591 -15.459893 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1014) -1 -20.660391 -1.682551 -16.882683 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1015) -1 13.521590 0.933092 -19.000155 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1015) -1 12.700740 0.762763 -18.470587 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1015) -1 14.099214 0.242649 -18.567244 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1016) -1 36.128946 2.558654 3.254317 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1016) -1 36.421284 3.409989 2.835505 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1016) -1 35.985122 2.028564 2.438390 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1017) -1 20.946110 7.859329 -12.462157 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1017) -1 21.037204 6.878414 -12.411925 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1017) -1 20.487826 7.926331 -13.337816 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1018) -1 -2.655619 -16.674458 13.473680 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1018) -1 -2.594024 -17.662599 13.378032 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1018) -1 -3.539268 -16.553924 13.032926 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1019) -1 -22.350331 7.750393 -4.347333 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1019) -1 -21.707168 7.093215 -4.692194 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1019) -1 -23.168710 7.200678 -4.361837 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1020) -1 23.305611 11.914168 1.938605 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1020) -1 22.696688 11.881707 2.719442 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1020) -1 24.159295 11.799358 2.375188 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1021) -1 9.256765 -4.412466 -14.870761 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1021) -1 10.198647 -4.336883 -14.605469 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1021) -1 8.910401 -4.948631 -14.123483 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1022) -1 19.465643 -14.166991 9.856118 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1022) -1 20.397634 -14.430314 10.037179 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1022) -1 19.448867 -14.300135 8.881355 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1023) -1 -5.566462 3.240608 -10.997747 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1023) -1 -4.694383 3.460307 -11.424035 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1023) -1 -5.334646 2.331645 -10.681142 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1024) -1 20.649042 15.891703 13.689468 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1024) -1 21.610206 15.929802 13.515117 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1024) -1 20.304901 16.236281 12.831697 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1025) -1 21.669243 -14.231695 1.527696 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1025) -1 21.547268 -13.829996 0.657233 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1025) -1 20.742333 -14.507597 1.736394 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1026) -1 14.894730 -4.712638 15.753159 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1026) -1 15.713860 -5.072912 15.354740 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1026) -1 14.676725 -4.006384 15.106374 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1027) -1 12.708606 13.507750 14.126184 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1027) -1 13.363448 13.099703 13.504821 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1027) -1 11.889261 13.072212 13.791444 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1028) -1 -15.431096 15.942277 6.433833 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1028) -1 -16.022035 15.271740 6.858073 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1028) -1 -15.077706 15.383231 5.697018 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1029) -1 1.802453 7.652011 3.975498 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1029) -1 2.412576 7.620664 4.742630 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1029) -1 1.972589 6.766514 3.586187 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1030) -1 -18.048118 25.497556 -1.150514 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1030) -1 -18.744396 25.877850 -1.741096 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1030) -1 -18.627727 24.924172 -0.588338 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1031) -1 17.428883 10.704617 13.263266 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1031) -1 18.383851 10.460304 13.309953 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1031) -1 17.466301 11.271726 12.449799 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1032) -1 -17.712385 -14.506337 -16.358921 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1032) -1 -18.422126 -14.992620 -15.877842 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1032) -1 -17.700516 -13.678792 -15.822240 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1033) -1 -28.242090 -20.618521 -0.981143 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1033) -1 -27.601562 -20.291396 -1.656387 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1033) -1 -27.653949 -21.272504 -0.519437 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1034) -1 -22.282799 2.428368 -14.908789 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1034) -1 -22.533261 1.643638 -14.382817 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1034) -1 -21.517121 2.081664 -15.406245 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1035) -1 0.258299 -15.290064 -2.391543 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1035) -1 0.020946 -15.848206 -1.606438 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1035) -1 -0.414689 -15.637094 -3.026020 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1036) -1 -15.828876 27.305959 3.643276 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1036) -1 -15.060208 27.178745 3.043145 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1036) -1 -15.353831 27.294645 4.506075 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1037) -1 5.909806 5.690974 6.476702 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1037) -1 6.834619 5.915744 6.697416 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1037) -1 6.049701 5.098513 5.701743 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1038) -1 -11.751788 26.043071 -11.284121 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1038) -1 -12.093603 26.955298 -11.273951 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1038) -1 -10.804137 26.210745 -11.069883 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1039) -1 12.374857 11.752830 -13.392428 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1039) -1 12.117007 10.804059 -13.296227 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1039) -1 11.474920 12.138974 -13.540796 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1040) -1 12.503748 3.294920 -19.986741 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1040) -1 12.946295 2.431286 -19.803055 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1040) -1 11.767766 3.233995 -19.336711 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1041) -1 -26.407858 0.151699 4.239654 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1041) -1 -25.416238 0.158035 4.225391 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1041) -1 -26.549360 -0.594559 4.861876 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1042) -1 -10.187275 -18.359143 -13.804420 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1042) -1 -9.805923 -19.216558 -13.572262 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1042) -1 -9.417802 -17.765166 -13.615450 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1043) -1 -10.215380 8.674695 15.427161 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1043) -1 -10.154998 7.890936 16.019938 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1043) -1 -10.687118 8.255855 14.661908 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1044) -1 -25.204850 12.216392 7.963993 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1044) -1 -25.049624 11.449241 7.371203 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1044) -1 -24.737609 11.903419 8.769838 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1045) -1 -22.777078 -5.974892 -12.605445 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1045) -1 -22.040090 -5.780841 -13.230175 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1045) -1 -22.369628 -6.719888 -12.106235 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1046) -1 -30.089199 -16.761954 -4.041290 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1046) -1 -30.357971 -15.823102 -4.168167 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1046) -1 -30.660754 -16.987392 -3.267608 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1047) -1 -8.306835 15.531004 3.204980 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1047) -1 -7.573066 14.882704 3.262708 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1047) -1 -8.658859 15.313087 2.315011 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1048) -1 -10.155389 -10.812509 -13.862770 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1048) -1 -10.782249 -10.551715 -13.152091 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1048) -1 -9.387103 -10.232617 -13.602873 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1049) -1 -1.484039 12.241837 7.188663 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1049) -1 -2.000002 11.726620 7.840741 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1049) -1 -0.587984 11.867170 7.332852 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1050) -1 13.577831 18.322767 -5.547494 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1050) -1 13.660191 18.590874 -4.603720 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1050) -1 14.041024 17.453488 -5.505414 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1051) -1 -23.262862 3.893078 2.833691 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1051) -1 -23.781444 3.480252 3.557665 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1051) -1 -23.733226 4.755877 2.763195 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1052) -1 -27.043469 -17.580333 -15.020863 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1052) -1 -27.281240 -16.634514 -14.921955 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1052) -1 -26.086865 -17.490981 -15.236440 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1053) -1 -7.748008 27.402834 -1.800234 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1053) -1 -8.078322 26.523459 -2.090166 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1053) -1 -7.565545 27.210408 -0.856313 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1054) -1 18.800246 -0.111733 -18.500905 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1054) -1 19.750054 -0.088820 -18.238685 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1054) -1 18.791283 0.637350 -19.140874 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1055) -1 -24.491480 16.232372 0.932505 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1055) -1 -24.515047 15.410747 1.480536 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1055) -1 -23.515377 16.366460 0.895229 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1056) -1 11.869762 -3.707130 -14.277561 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1056) -1 11.754472 -2.941051 -14.882765 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1056) -1 12.757581 -4.023207 -14.589143 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1057) -1 23.500851 14.594538 10.838760 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1057) -1 22.544213 14.546883 10.566367 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1057) -1 23.407617 15.254583 11.567853 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1058) -1 29.426268 9.593673 -10.538870 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1058) -1 30.105963 9.313300 -11.186476 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1058) -1 28.728953 8.930023 -10.736401 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1059) -1 -5.278915 2.779527 21.176725 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1059) -1 -5.520318 3.613429 20.699634 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1059) -1 -4.313537 2.819949 21.110848 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1060) -1 -18.952216 10.036094 14.623572 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1060) -1 -19.199987 10.157833 15.553224 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1060) -1 -18.620562 9.102585 14.653793 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1061) -1 -24.950696 4.776462 -9.514489 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1061) -1 -25.404795 4.989191 -8.673359 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1061) -1 -25.077076 3.790291 -9.514695 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1062) -1 9.122589 -14.173637 8.171404 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1062) -1 9.563428 -13.461176 7.652991 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1062) -1 9.930024 -14.708376 8.399230 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1063) -1 21.301276 -0.356302 -17.481385 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1063) -1 20.976931 -1.244047 -17.191299 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1063) -1 21.671894 -0.039761 -16.627121 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1064) -1 35.929635 -1.762508 -0.007657 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1064) -1 36.611621 -2.477320 0.069168 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1064) -1 35.382224 -2.159576 -0.731324 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1065) -1 -17.809306 -18.293852 -15.259292 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1065) -1 -17.071948 -18.851664 -14.919303 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1065) -1 -17.307137 -17.740566 -15.901742 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1066) -1 -7.872554 18.839286 -1.717420 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1066) -1 -7.764717 17.931578 -1.335542 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1066) -1 -7.896843 19.359881 -0.882703 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1067) -1 16.448320 22.792133 3.690718 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1067) -1 16.658056 23.135613 2.810747 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1067) -1 16.690765 21.841457 3.577705 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1068) -1 2.277746 -10.529278 -1.912706 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1068) -1 3.184763 -10.421445 -1.550992 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1068) -1 2.138319 -11.488533 -1.733376 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1069) -1 -19.370216 4.234120 -15.212814 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1069) -1 -19.635631 3.512161 -15.828674 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1069) -1 -19.495078 3.751313 -14.356640 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1070) -1 9.349639 -5.567132 -10.087913 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1070) -1 10.292482 -5.511149 -9.817076 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1070) -1 9.174704 -6.514138 -9.881404 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1071) -1 -8.633034 23.917467 1.158514 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1071) -1 -8.489540 23.492860 0.285366 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1071) -1 -8.274226 23.203153 1.743816 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1072) -1 -13.460639 -7.823774 -14.862237 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1072) -1 -13.855464 -8.534667 -14.304030 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1072) -1 -12.802598 -8.378266 -15.357656 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1073) -1 -15.217910 12.675301 2.570316 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1073) -1 -14.766781 11.965614 2.039215 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1073) -1 -15.547483 13.227783 1.828437 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1074) -1 -11.527378 -19.206021 3.755141 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1074) -1 -11.874356 -20.055675 4.118034 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1074) -1 -11.118642 -18.848594 4.584102 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1075) -1 -19.108424 -3.600358 -15.681016 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1075) -1 -19.641198 -3.573817 -16.505745 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1075) -1 -18.972236 -2.648313 -15.529541 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1077) -1 28.787637 5.557338 13.645912 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1077) -1 28.594644 4.685146 13.237524 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1077) -1 29.534752 5.287585 14.239146 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1078) -1 -11.071029 -20.373545 9.457103 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1078) -1 -10.624965 -19.765670 10.100207 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1078) -1 -11.634594 -19.714713 8.989694 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1079) -1 24.415087 11.704449 -3.504396 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1079) -1 24.790738 12.374556 -4.130487 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1079) -1 23.521659 12.100743 -3.375565 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1080) -1 -23.004569 5.724654 -7.116893 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1080) -1 -23.233789 4.760613 -7.177316 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1080) -1 -23.573580 5.959133 -6.344203 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1081) -1 -7.984750 20.044012 -13.820677 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1081) -1 -7.602896 20.238985 -14.683739 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1081) -1 -8.457417 20.881024 -13.620051 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1082) -1 -27.661415 -18.734459 -10.804770 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1082) -1 -28.011742 -18.997032 -11.684555 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1082) -1 -27.129376 -19.512556 -10.573141 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1083) -1 -6.030015 23.555334 -7.725262 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1083) -1 -6.230881 23.172966 -6.849112 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1083) -1 -5.990850 22.749208 -8.277610 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1084) -1 14.863963 -0.914254 -17.591230 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1084) -1 14.785459 -1.246224 -16.671117 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1084) -1 15.677259 -1.417432 -17.861877 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1085) -1 -4.428593 -5.157841 21.277771 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1085) -1 -5.250073 -4.726493 21.609538 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1085) -1 -3.875736 -4.356227 21.135116 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1086) -1 6.427103 -9.455618 1.145889 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1086) -1 6.256302 -8.697283 1.758192 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1086) -1 6.682081 -10.134518 1.803695 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1087) -1 0.261286 9.372077 2.652901 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1087) -1 0.857981 8.703076 3.088863 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1087) -1 0.362238 10.094308 3.333842 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1089) -1 -17.283977 -22.193511 -0.536031 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1089) -1 -16.859465 -21.340000 -0.731129 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1089) -1 -16.533396 -22.656105 -0.086158 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1090) -1 -20.469759 8.715104 6.146623 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1090) -1 -20.999890 8.122693 5.549624 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1090) -1 -20.187961 8.046701 6.811518 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1091) -1 -26.604300 -19.629201 -2.942404 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1091) -1 -27.055067 -18.745413 -3.002926 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1091) -1 -25.766195 -19.327687 -2.508753 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1092) -1 -24.027233 -0.846380 -10.947935 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1092) -1 -24.063939 -1.724924 -10.513299 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1092) -1 -24.915875 -0.505981 -10.730936 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1093) -1 -15.099144 13.777933 -8.761761 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1093) -1 -16.016439 13.400491 -8.860621 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1093) -1 -14.873253 13.852516 -9.719477 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1094) -1 -13.023092 19.530971 -13.809545 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1094) -1 -12.141816 19.087559 -13.901292 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1094) -1 -13.573459 18.720303 -13.653639 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1095) -1 -27.517942 2.576465 -6.000938 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1095) -1 -28.318467 2.232102 -5.549580 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1095) -1 -27.418408 1.876341 -6.694589 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1096) -1 -22.896025 2.462713 10.929510 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1096) -1 -23.426019 2.457313 10.085803 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1096) -1 -23.505916 1.986476 11.510332 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1097) -1 27.395863 12.012120 -6.581715 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1097) -1 27.446791 11.570705 -7.465116 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1097) -1 27.412736 11.193589 -6.015042 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1098) -1 25.168878 -6.512010 -18.319392 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1098) -1 24.551487 -7.005068 -17.741823 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1098) -1 25.085051 -5.612963 -17.950112 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1099) -1 -23.133779 -25.247690 -6.582266 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1099) -1 -22.254133 -25.164657 -7.021314 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1099) -1 -23.071667 -24.487471 -5.959997 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1100) -1 -17.012822 30.808343 -5.774945 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1100) -1 -16.263201 31.182980 -5.256697 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1100) -1 -16.511445 30.478889 -6.558985 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1101) -1 -13.702599 -17.605335 19.156251 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1101) -1 -13.145864 -18.190943 19.682232 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1101) -1 -13.469775 -17.891575 18.242142 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1102) -1 -2.292970 -8.515201 20.444773 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1102) -1 -1.901016 -9.392534 20.352665 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1102) -1 -1.670127 -7.969394 19.920035 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1103) -1 25.516057 7.988301 -5.525102 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1103) -1 24.844224 8.291069 -4.879455 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1103) -1 25.222707 7.071028 -5.679919 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1104) -1 -10.050862 -16.675886 14.881116 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1104) -1 -10.483673 -17.096201 14.087768 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1104) -1 -9.191106 -17.157415 14.856270 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1105) -1 -29.115716 0.390685 -5.252779 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1105) -1 -28.687138 0.359376 -6.139364 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1105) -1 -29.588061 -0.483929 -5.291180 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1106) -1 -22.756442 11.992645 -6.433884 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1106) -1 -23.651119 12.325673 -6.286427 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1106) -1 -22.218338 12.791561 -6.239392 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1107) -1 35.076677 -0.604905 8.789627 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1107) -1 34.772555 0.096685 8.167958 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1107) -1 35.131634 -1.362307 8.160307 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1108) -1 27.271858 4.805512 -13.677243 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1108) -1 27.225807 4.081488 -14.323897 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1108) -1 26.420094 4.621326 -13.178322 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1109) -1 8.525897 -14.493238 -4.878050 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1109) -1 8.682555 -15.176461 -5.574061 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1109) -1 7.557131 -14.477283 -4.858283 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1110) -1 -20.919209 14.598737 -0.312960 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1110) -1 -20.637144 14.560306 -1.262474 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1110) -1 -20.019264 14.614586 0.097205 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1111) -1 -10.787096 19.347414 4.049458 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1111) -1 -10.728184 18.546404 3.498076 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1111) -1 -11.680042 19.669096 3.819291 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1112) -1 22.997808 -16.824759 7.757834 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1112) -1 22.655767 -16.523069 6.891388 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1112) -1 23.930981 -16.965945 7.557747 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1113) -1 -13.633122 27.009904 5.378524 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1113) -1 -13.437804 26.079202 5.657688 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1113) -1 -13.274232 27.494043 6.138253 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1114) -1 -17.419596 -22.205180 5.654116 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1114) -1 -17.823963 -21.690689 4.916733 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1114) -1 -18.089753 -22.881436 5.800464 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1115) -1 17.136477 -15.407071 7.616107 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1115) -1 18.078652 -15.293772 7.361959 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1115) -1 16.882316 -16.135452 6.999985 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1116) -1 16.027887 17.825739 -7.191917 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1116) -1 15.306890 18.440978 -6.964704 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1116) -1 15.711096 17.012192 -6.740214 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1117) -1 -7.195930 10.080578 12.631014 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1117) -1 -7.197660 9.678751 13.525928 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1117) -1 -7.081348 9.281331 12.077823 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1118) -1 10.486844 1.196745 12.160668 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1118) -1 9.562200 1.469558 12.356564 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1118) -1 10.301446 0.374166 11.640153 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1119) -1 -30.923496 -14.140991 -4.038153 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1119) -1 -31.437415 -13.325030 -4.154596 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1119) -1 -30.441177 -14.148958 -4.915674 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1120) -1 15.878116 -17.890434 0.542913 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1120) -1 16.638837 -17.307585 0.784407 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1120) -1 16.227498 -18.237264 -0.318249 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1121) -1 30.754643 6.082243 9.361786 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1121) -1 30.233071 6.520292 10.081612 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1121) -1 30.020964 5.842881 8.754648 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1122) -1 -11.624270 1.133274 -15.047330 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1122) -1 -11.601870 0.157449 -14.958936 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1122) -1 -12.474457 1.313064 -14.566032 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1123) -1 7.798610 -7.623427 -0.413167 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1123) -1 8.116042 -7.994035 -1.268603 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1123) -1 7.463828 -8.435118 0.015081 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1124) -1 33.588579 1.862644 -0.219099 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1124) -1 32.978372 1.357454 0.374053 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1124) -1 32.927023 2.178046 -0.882000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1125) -1 -16.773358 27.721996 -0.192064 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1125) -1 -17.076722 26.820547 -0.450978 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1125) -1 -17.534382 27.984199 0.380051 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1126) -1 -8.015183 3.733614 13.624368 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1126) -1 -7.490269 2.940731 13.354098 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1126) -1 -7.458616 4.014027 14.397805 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1127) -1 6.312440 -2.132941 -8.923456 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1127) -1 6.137531 -2.951984 -8.376211 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1127) -1 5.710920 -1.518644 -8.437222 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1128) -1 33.816280 1.986803 11.603239 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1128) -1 33.421596 2.045005 10.711533 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1128) -1 34.425056 1.226640 11.480227 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1129) -1 28.935625 -1.976988 16.873754 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1129) -1 29.063037 -2.079025 15.891997 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1129) -1 28.009890 -1.656177 16.863149 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1130) -1 -7.019908 12.553659 -3.402149 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1130) -1 -7.057966 13.493361 -3.158468 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1130) -1 -6.210195 12.283831 -2.890485 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1131) -1 1.624228 -14.417653 -4.688270 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1131) -1 1.231328 -14.769336 -3.857386 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1131) -1 2.523199 -14.182235 -4.348230 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1132) -1 20.548146 9.508542 -10.429335 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1132) -1 20.648190 8.854623 -11.170283 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1132) -1 21.089825 9.047726 -9.749474 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1133) -1 -20.205307 6.536344 10.370514 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1133) -1 -20.046405 6.594160 9.391617 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1133) -1 -20.483182 5.595156 10.423603 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1134) -1 -28.175608 -5.141230 -8.773034 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1134) -1 -27.670463 -4.742261 -8.020665 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1134) -1 -28.125489 -4.414898 -9.415758 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1136) -1 -9.789384 14.774849 5.290353 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1136) -1 -9.265197 15.200397 4.565595 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1136) -1 -10.570742 15.369617 5.294237 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1137) -1 -4.258693 -9.848849 -10.511023 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1137) -1 -4.201318 -8.902659 -10.756271 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1137) -1 -4.587120 -9.733966 -9.570738 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1138) -1 -28.556095 -26.936830 -5.102533 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1138) -1 -28.071678 -27.653391 -5.560441 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1138) -1 -27.989517 -26.843942 -4.300513 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1139) -1 24.116732 12.404490 -10.749332 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1139) -1 23.146270 12.265943 -10.565970 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1139) -1 24.210826 13.277858 -10.287233 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1140) -1 -16.064789 18.490100 5.977390 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1140) -1 -15.934470 17.544322 6.244684 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1140) -1 -15.275216 18.590313 5.401230 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1141) -1 -11.831728 11.469349 -7.759368 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1141) -1 -11.941612 11.022939 -8.632835 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1141) -1 -11.692086 10.668340 -7.195404 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1142) -1 2.040224 -9.852973 3.691448 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1142) -1 1.557550 -9.628313 4.506760 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1142) -1 2.034599 -10.831028 3.728743 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1143) -1 -7.882429 13.630146 15.882055 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1143) -1 -7.373182 12.917272 16.358452 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1143) -1 -7.901863 13.202779 14.989060 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1144) -1 27.045464 -12.498418 -12.842372 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1144) -1 27.096787 -11.701904 -13.424563 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1144) -1 26.406062 -13.036165 -13.357311 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1145) -1 -14.492022 -25.484814 -0.425150 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1145) -1 -14.828571 -24.691677 0.053722 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1145) -1 -14.603296 -25.159901 -1.355928 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1146) -1 14.356153 -4.329229 -14.995740 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1146) -1 15.111544 -4.898779 -15.269312 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1146) -1 14.764728 -3.444774 -15.102818 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1147) -1 -15.200684 21.118730 -13.996573 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1147) -1 -15.744644 20.451964 -13.502703 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1147) -1 -14.391489 20.562197 -14.134849 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1148) -1 -6.294176 -19.726659 9.316151 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1148) -1 -6.785135 -19.417543 10.118336 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1148) -1 -6.093618 -18.833476 8.920986 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1149) -1 15.204800 20.184803 1.069750 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1149) -1 15.050376 20.532624 0.151384 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1149) -1 15.708241 19.358474 0.807219 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1150) -1 18.981408 -8.465645 15.000413 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1150) -1 19.282917 -7.614228 14.586807 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1150) -1 18.752708 -8.968777 14.205822 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1151) -1 21.488419 5.213063 -12.093981 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1151) -1 21.268081 5.260894 -11.135297 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1151) -1 21.527969 4.253962 -12.226009 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1152) -1 10.541175 10.271777 14.903606 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1152) -1 11.481629 10.329092 15.190980 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1152) -1 10.342431 9.350090 15.128261 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1153) -1 -6.711452 -12.093299 18.697275 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1153) -1 -7.088739 -12.517596 17.877604 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1153) -1 -6.649842 -12.916946 19.249476 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1154) -1 -5.635158 -16.564705 -11.824545 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1154) -1 -5.198341 -16.873298 -10.988945 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1154) -1 -4.909081 -16.772300 -12.456144 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1155) -1 1.821175 -16.155371 5.908364 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1155) -1 2.533234 -15.519962 5.635585 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1155) -1 2.254481 -16.995606 5.682403 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1156) -1 34.872670 4.258785 0.055379 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1156) -1 34.007665 4.701922 0.208537 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1156) -1 34.557351 3.342550 -0.116767 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1157) -1 10.591147 -14.629669 1.766677 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1157) -1 10.394835 -13.807637 1.272361 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1157) -1 10.316610 -14.350313 2.673565 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1158) -1 -4.716828 11.901203 -2.213566 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1158) -1 -4.080009 11.719790 -1.492111 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1158) -1 -4.427089 11.224163 -2.869279 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1159) -1 -2.937089 -19.320181 13.017347 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1159) -1 -3.033018 -19.634159 12.086097 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1159) -1 -3.879682 -19.377320 13.297581 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1160) -1 -17.529057 -9.549680 12.538282 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1160) -1 -18.482093 -9.485516 12.255077 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1160) -1 -17.183757 -10.080548 11.789147 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1161) -1 -14.151204 13.971257 -11.304634 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1161) -1 -13.285305 14.383678 -11.090131 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1161) -1 -13.833383 13.077966 -11.594599 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1162) -1 -27.742295 -20.704943 -7.148646 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1162) -1 -27.874444 -19.722503 -7.185952 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1162) -1 -28.688260 -20.983960 -7.149356 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1163) -1 29.447259 13.111432 0.768318 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1163) -1 30.139601 12.439704 0.580256 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1163) -1 29.972883 13.918788 0.814100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1164) -1 8.141554 -3.944100 7.666300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1164) -1 7.690804 -3.809944 6.790930 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1164) -1 9.066182 -3.734086 7.383573 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1165) -1 -18.423860 -20.895316 3.530075 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1165) -1 -18.948314 -20.055747 3.510318 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1165) -1 -18.796559 -21.309868 2.704977 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1166) -1 9.989063 14.583635 -11.278391 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1166) -1 10.015962 15.189490 -10.500803 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1166) -1 10.954199 14.358134 -11.327740 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1167) -1 -22.972413 -6.982207 9.985829 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1167) -1 -22.303347 -6.355424 9.604683 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1167) -1 -23.037078 -6.608170 10.884165 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1168) -1 25.490020 13.516981 -5.220185 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1168) -1 26.108261 13.111952 -5.867162 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1168) -1 25.045386 14.178236 -5.793466 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1169) -1 20.826669 -15.637701 -2.840729 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1169) -1 20.674134 -15.888026 -1.901966 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1169) -1 21.251962 -14.754844 -2.703261 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1170) -1 -18.504424 23.556153 2.577728 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1170) -1 -18.174304 22.663028 2.326130 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1170) -1 -19.015645 23.332716 3.383504 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1171) -1 21.478438 4.279498 14.154262 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1171) -1 20.810445 4.711772 13.579156 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1171) -1 22.282509 4.750999 13.881537 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1172) -1 0.354455 11.264669 4.506598 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1172) -1 0.633173 11.342198 5.439493 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1172) -1 -0.146171 12.087107 4.381812 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1173) -1 17.104272 7.472290 -15.051891 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1173) -1 18.040469 7.692189 -14.861117 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1173) -1 16.654512 8.189168 -14.554401 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1174) -1 31.453702 -2.046098 11.428617 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1174) -1 31.970283 -1.521342 12.082142 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1174) -1 31.517755 -1.465723 10.649643 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1175) -1 11.275620 3.276106 -17.531147 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1175) -1 11.388762 2.310779 -17.380382 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1175) -1 12.115993 3.611090 -17.144699 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1176) -1 18.537441 -16.155014 -12.546131 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1176) -1 18.572679 -16.158037 -13.534491 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1176) -1 17.571998 -16.234489 -12.408345 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1177) -1 -8.042025 -13.193707 16.677948 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1177) -1 -8.043201 -14.170560 16.775273 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1177) -1 -8.978121 -12.993096 16.880791 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1178) -1 34.346615 -6.857691 4.332338 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1178) -1 34.245817 -5.923221 4.041936 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1178) -1 34.143949 -6.772139 5.278206 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1179) -1 -29.080500 -4.339726 -4.357711 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1179) -1 -28.417215 -4.305120 -3.623538 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1179) -1 -28.805442 -5.181875 -4.777514 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1180) -1 16.602584 -17.787692 -9.128472 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1180) -1 17.584629 -17.658021 -9.089777 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1180) -1 16.395502 -17.715170 -8.171508 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1181) -1 -8.087649 -15.876734 17.256148 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1181) -1 -8.998034 -16.211796 17.382799 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1181) -1 -7.785098 -16.455999 16.523791 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1182) -1 0.813783 -0.604684 13.943088 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1182) -1 -0.047197 -1.074006 13.851635 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1182) -1 0.987889 -0.409296 12.992683 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1183) -1 -14.548767 9.529560 -13.054550 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1183) -1 -15.341819 9.219447 -13.513688 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1183) -1 -14.175227 8.668327 -12.741668 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1184) -1 -16.640691 17.615007 10.462787 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1184) -1 -17.383520 17.316105 9.878145 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1184) -1 -17.006227 17.326934 11.331144 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1185) -1 -9.123753 -20.910392 -6.859860 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1185) -1 -9.836231 -21.517480 -7.168178 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1185) -1 -8.436564 -21.583301 -6.625111 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1186) -1 -4.151787 10.031801 -4.080990 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1186) -1 -4.025261 9.104108 -3.754910 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1186) -1 -3.344394 10.078959 -4.664145 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1187) -1 -7.399865 -22.686487 -5.817950 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1187) -1 -6.867322 -23.481841 -5.702320 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1187) -1 -7.421271 -22.336399 -4.896343 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1188) -1 -29.918027 20.060883 -2.224302 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1188) -1 -30.680465 19.539649 -2.517199 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1188) -1 -29.493161 19.405289 -1.605254 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1189) -1 -2.174618 -4.109255 -11.537063 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1189) -1 -2.417479 -4.693431 -12.298458 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1189) -1 -1.468807 -4.637487 -11.131570 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1190) -1 1.348760 -3.283059 -6.309637 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1190) -1 1.680539 -2.539291 -6.850164 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1190) -1 1.862937 -3.145729 -5.482725 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1191) -1 -3.518484 10.615401 8.306567 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1191) -1 -4.007415 9.996868 8.895715 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1191) -1 -4.257184 11.226134 8.066734 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1192) -1 25.117858 -8.627511 12.507095 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1192) -1 24.419409 -8.571690 13.205889 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1192) -1 25.446218 -7.699773 12.536127 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1193) -1 -22.719242 5.021710 -14.324697 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1193) -1 -22.619146 4.090919 -14.648412 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1193) -1 -23.166387 4.843199 -13.468754 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1194) -1 14.847197 -20.389057 -1.009839 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1194) -1 14.874788 -20.080204 -0.094745 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1194) -1 15.610959 -19.913649 -1.398630 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1195) -1 -24.548213 2.811715 4.963187 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1195) -1 -23.884007 3.022991 5.661841 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1195) -1 -24.266416 1.879580 4.763946 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1196) -1 -3.001796 3.299271 -11.884667 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1196) -1 -2.187122 3.730181 -12.183630 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1196) -1 -2.671813 2.392652 -11.696707 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1197) -1 22.519810 -4.180066 -12.458195 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1197) -1 22.790969 -4.174868 -11.505617 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1197) -1 22.202940 -3.255399 -12.534685 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1198) -1 24.206105 -9.924570 3.437291 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1198) -1 24.056035 -10.425691 2.620734 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1198) -1 24.518236 -10.652276 4.032328 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1199) -1 29.821806 -7.240380 -0.320792 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1199) -1 29.442423 -8.108391 -0.605543 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1199) -1 30.775819 -7.427709 -0.512409 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1200) -1 -14.092902 17.066216 15.703900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1200) -1 -13.191093 17.443158 15.673793 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1200) -1 -13.881676 16.178822 16.087603 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1201) -1 -23.371942 18.149041 5.922508 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1201) -1 -23.425176 17.565945 6.726441 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1201) -1 -23.890937 17.563779 5.306999 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1202) -1 22.193291 -14.839523 9.597466 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1202) -1 22.226489 -14.412707 8.696192 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1202) -1 22.462416 -15.748172 9.327749 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1203) -1 21.530559 12.041845 -10.201065 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1203) -1 21.085677 11.169750 -10.289196 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1203) -1 20.791075 12.640216 -10.431875 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1204) -1 29.193341 2.288520 -5.944986 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1204) -1 29.409855 1.556958 -6.571313 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1204) -1 28.520686 2.765418 -6.481224 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1205) -1 22.315971 17.476722 -7.515874 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1205) -1 22.041338 18.399074 -7.281202 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1205) -1 21.434921 17.034979 -7.405644 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1206) -1 -15.963708 -0.765347 17.407827 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1206) -1 -16.349297 -0.402263 16.569099 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1206) -1 -16.604230 -1.518407 17.530816 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1207) -1 26.995845 -0.700376 -8.330797 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1207) -1 26.508039 -1.305058 -8.953353 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1207) -1 26.894616 0.136222 -8.874896 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1208) -1 -6.917771 -19.218980 0.450551 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1208) -1 -6.212248 -18.803479 0.995097 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1208) -1 -7.301457 -19.836878 1.111987 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1209) -1 -1.182506 -15.204401 15.158783 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1209) -1 -1.721102 -15.736107 14.513715 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1209) -1 -1.119699 -15.843409 15.885924 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1210) -1 -19.333332 -4.915512 16.948462 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1210) -1 -20.252542 -5.097196 16.672197 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1210) -1 -18.931093 -5.798654 16.778537 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1211) -1 -11.768310 9.110800 3.668378 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1211) -1 -12.394130 8.806086 2.963283 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1211) -1 -10.971813 9.265693 3.118878 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1212) -1 24.963228 -11.234931 -3.393004 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1212) -1 24.756963 -12.060532 -3.904327 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1212) -1 24.033228 -10.949019 -3.210897 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1213) -1 21.955032 -0.126346 -14.815992 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1213) -1 22.174413 0.493873 -14.093195 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1213) -1 21.215198 -0.623323 -14.418856 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1214) -1 -7.623619 21.893554 2.670200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1214) -1 -6.710746 21.696246 2.944676 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1214) -1 -8.104261 21.574742 3.486180 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1215) -1 27.743173 4.794095 -0.367412 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1215) -1 27.445984 4.978113 0.553183 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1215) -1 28.682737 4.547460 -0.181734 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1216) -1 6.298549 -3.438532 2.637686 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1216) -1 6.453937 -4.264197 2.119843 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1216) -1 5.462305 -3.138360 2.194681 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1217) -1 8.622793 -8.621023 -2.801324 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1217) -1 8.383696 -8.005702 -3.524188 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1217) -1 9.242197 -9.214415 -3.249463 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1218) -1 -4.373403 0.925272 -10.034664 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1218) -1 -3.488482 0.874186 -10.481057 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1218) -1 -4.075569 1.279856 -9.161386 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1219) -1 25.158934 -1.784008 -9.969041 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1219) -1 24.541268 -1.029621 -9.878246 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1219) -1 24.540471 -2.527572 -10.089148 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1220) -1 13.400032 -4.783629 17.998899 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1220) -1 12.792016 -4.145145 17.609676 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1220) -1 14.049657 -4.890020 17.262447 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1221) -1 -20.470773 -7.578903 7.603183 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1221) -1 -20.622948 -6.751061 8.118212 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1221) -1 -19.791347 -7.269574 6.973704 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1222) -1 -24.291097 -3.220908 6.244770 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1222) -1 -23.801979 -2.661471 5.580739 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1222) -1 -23.573629 -3.856348 6.460233 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1223) -1 27.602610 7.495235 -13.696981 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1223) -1 27.507923 6.524400 -13.862058 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1223) -1 26.824534 7.807559 -14.229784 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1224) -1 -15.625120 6.925992 13.376042 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1224) -1 -16.368450 6.974353 12.732787 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1224) -1 -15.540729 5.946755 13.447924 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1225) -1 15.507775 17.636316 6.720996 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1225) -1 15.424250 17.532891 5.738627 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1225) -1 15.631139 16.699803 6.973187 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1226) -1 -27.595855 0.237173 -2.982701 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1226) -1 -28.247009 0.326449 -3.717984 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1226) -1 -27.516163 -0.730033 -2.935341 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1227) -1 13.295295 -13.377549 7.981022 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1227) -1 14.289790 -13.416113 7.960226 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1227) -1 13.210031 -12.595784 8.587591 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1228) -1 -9.696624 -14.634175 20.734763 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1228) -1 -10.124578 -14.300917 21.532182 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1228) -1 -10.420693 -14.539116 20.075572 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1229) -1 -22.806854 -18.415038 3.465157 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1229) -1 -23.012196 -19.193761 4.005206 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1229) -1 -22.537746 -17.776868 4.170729 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1230) -1 13.268962 4.285547 14.050146 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1230) -1 12.851359 3.399156 14.133629 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1230) -1 12.495525 4.818449 13.776285 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1231) -1 -20.745888 26.135722 -8.628896 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1231) -1 -20.113788 25.400202 -8.802080 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1231) -1 -21.583137 25.685878 -8.882026 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1232) -1 24.892487 -12.729141 -7.036911 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1232) -1 25.720810 -13.236805 -7.203074 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1232) -1 24.734720 -12.380266 -7.940078 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1233) -1 -24.592089 -8.117827 0.728001 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1233) -1 -24.714830 -7.141672 0.727573 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1233) -1 -23.649893 -8.155939 1.014513 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1234) -1 -11.625259 -10.017735 16.423860 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1234) -1 -11.918959 -9.431946 15.709262 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1234) -1 -11.289524 -9.353616 17.074392 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1235) -1 -14.433636 17.266651 -13.289502 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1235) -1 -15.089938 16.538642 -13.151273 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1235) -1 -13.606572 16.720652 -13.269538 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1236) -1 -22.610862 24.324459 -9.654784 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1236) -1 -23.415864 24.395369 -10.189370 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1236) -1 -22.033022 23.811916 -10.277554 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1237) -1 -16.684466 4.083938 -16.010442 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1237) -1 -16.084908 4.244340 -15.258926 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1237) -1 -17.546672 4.329928 -15.628446 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1238) -1 -13.135307 14.617551 16.410577 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1238) -1 -13.773006 13.935532 16.112383 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1238) -1 -12.312693 14.074317 16.449386 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1239) -1 8.240803 -1.428419 8.816847 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1239) -1 8.018049 -2.326875 8.486278 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1239) -1 8.094597 -0.908878 7.992368 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1240) -1 22.857653 1.324595 -12.546320 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1240) -1 23.471261 0.552715 -12.641252 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1240) -1 23.498125 1.955589 -12.120971 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1241) -1 5.758500 11.161751 -5.624235 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1241) -1 6.389808 11.517447 -4.946334 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1241) -1 6.318183 11.327041 -6.430716 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1242) -1 -23.309763 -20.507813 0.078406 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1242) -1 -23.698356 -21.343991 0.435623 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1242) -1 -22.442796 -20.870566 -0.232668 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1243) -1 -12.870571 29.699187 -12.905747 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1243) -1 -13.346588 30.531165 -12.686488 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1243) -1 -12.835334 29.290719 -12.007971 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1244) -1 -12.606276 -17.458186 -13.067081 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1244) -1 -11.737168 -17.772906 -13.427703 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1244) -1 -13.107853 -17.397182 -13.918203 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1245) -1 -14.283904 -17.601857 -15.158860 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1245) -1 -14.839661 -18.337771 -14.828008 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1245) -1 -14.913153 -17.174075 -15.778945 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1246) -1 -15.510942 19.787698 2.379441 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1246) -1 -14.772141 19.935740 3.001289 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1246) -1 -15.494752 18.804145 2.322931 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1247) -1 25.040011 -11.121755 13.679067 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1247) -1 24.302848 -10.795744 14.222156 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1247) -1 25.337935 -10.289087 13.257976 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1248) -1 -22.879403 6.805133 -9.555481 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1248) -1 -22.894538 6.450401 -8.627861 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1248) -1 -23.641643 6.303698 -9.917219 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1249) -1 3.077484 -13.442308 12.580824 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1249) -1 2.306984 -13.403786 13.190663 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1249) -1 2.815031 -14.216485 12.032928 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1250) -1 10.357269 -16.541742 5.166057 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1250) -1 10.498916 -17.127004 4.375898 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1250) -1 11.098369 -16.867087 5.727719 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1251) -1 -6.820902 13.180611 3.474906 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1251) -1 -7.482877 12.716237 2.913632 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1251) -1 -6.107890 12.512898 3.492916 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1252) -1 -10.493449 -18.567928 6.179051 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1252) -1 -11.167703 -18.463257 6.886833 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1252) -1 -9.788699 -19.028163 6.676560 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1253) -1 37.394887 -3.972939 0.526230 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1253) -1 37.692325 -4.120344 1.451810 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1253) -1 36.774019 -4.732245 0.430159 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1254) -1 -11.249814 -20.862230 12.376970 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1254) -1 -11.372154 -21.267589 11.500179 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1254) -1 -10.758850 -20.043231 12.112767 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1255) -1 23.517964 8.883036 -12.224145 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1255) -1 22.542211 8.722659 -12.213720 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1255) -1 23.801990 7.994232 -12.559039 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1256) -1 15.116759 17.496060 4.125870 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1256) -1 15.918329 17.588043 3.541083 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1256) -1 14.554967 18.197670 3.710714 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1257) -1 -30.858395 -15.010507 -10.677409 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1257) -1 -30.613522 -15.458186 -11.511093 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1257) -1 -30.279816 -14.224724 -10.716490 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1258) -1 10.961305 -17.878304 -5.521206 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1258) -1 11.277078 -18.254358 -6.381510 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1258) -1 10.203104 -17.348823 -5.856529 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1259) -1 13.499463 4.488861 -16.511939 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1259) -1 14.421482 4.159729 -16.411250 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1259) -1 13.450452 5.065348 -15.705757 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1260) -1 27.312988 9.659706 7.165598 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1260) -1 28.008708 9.004940 6.930227 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1260) -1 26.794208 9.644231 6.321695 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1261) -1 -10.138240 1.645590 20.266512 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1261) -1 -9.814810 2.056418 19.435195 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1261) -1 -10.808425 1.023267 19.885395 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1262) -1 -19.805937 24.131976 0.333180 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1262) -1 -20.164773 23.209221 0.306828 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1262) -1 -19.313941 24.057919 1.196636 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1263) -1 -6.826719 -15.309770 0.486081 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1263) -1 -7.625852 -15.241325 -0.070551 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1263) -1 -7.227197 -15.466499 1.367188 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1264) -1 -17.919686 16.660917 12.711724 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1264) -1 -18.823520 16.946966 12.907251 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1264) -1 -18.075152 15.694758 12.543434 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1265) -1 2.561137 -12.586039 3.645175 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1265) -1 3.528142 -12.357247 3.631302 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1265) -1 2.608667 -13.385163 4.214191 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1266) -1 -12.929613 -18.047617 16.618669 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1266) -1 -13.478909 -17.412835 16.103057 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1266) -1 -12.652326 -18.640597 15.865917 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1267) -1 -18.832925 9.420995 4.038931 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1267) -1 -18.073085 10.008870 4.257235 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1267) -1 -19.204395 9.280260 4.936141 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1268) -1 -7.547958 -20.850865 4.827879 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1268) -1 -7.864621 -21.768468 5.004817 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1268) -1 -7.670228 -20.463051 5.722161 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1269) -1 10.008116 -14.255658 -2.617358 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1269) -1 10.510351 -15.103901 -2.685677 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1269) -1 9.465914 -14.332234 -3.438429 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1270) -1 -10.415320 11.272138 14.778892 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1270) -1 -10.357730 10.335062 15.096577 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1270) -1 -11.396866 11.303961 14.613771 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1271) -1 -9.190105 26.627808 -10.614205 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1271) -1 -8.721656 26.421885 -11.455558 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1271) -1 -8.591662 26.152489 -9.983904 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1272) -1 -2.523013 -12.822987 14.789703 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1272) -1 -2.144300 -13.664047 15.137854 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1272) -1 -2.280362 -12.933247 13.836092 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1273) -1 3.604535 6.479408 -5.865385 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1273) -1 3.711538 5.554796 -6.195962 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1273) -1 2.626535 6.458719 -5.699505 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1275) -1 -15.143798 -19.419648 7.390669 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1275) -1 -15.660813 -18.583412 7.271144 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1275) -1 -15.064294 -19.410083 8.368417 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1276) -1 -23.713545 -6.196852 17.015042 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1276) -1 -22.816020 -6.373656 16.637092 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1276) -1 -24.231547 -6.116340 16.202796 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1277) -1 -19.329859 -15.989996 -14.752565 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1277) -1 -19.028169 -16.910457 -14.922240 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1277) -1 -18.711548 -15.787239 -13.981730 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1278) -1 -26.616305 -26.856840 -3.162799 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1278) -1 -26.555708 -26.099707 -2.539561 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1278) -1 -25.765271 -26.745041 -3.645422 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1279) -1 8.771553 0.063247 -17.377525 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1279) -1 8.325109 0.489120 -16.614458 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1279) -1 8.559408 -0.876594 -17.205234 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1280) -1 26.998100 -10.286244 -14.390344 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1280) -1 26.644433 -9.435230 -14.026378 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1280) -1 26.662829 -10.200766 -15.314979 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1281) -1 -7.650081 20.011145 -11.108936 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1281) -1 -7.583883 19.878695 -12.084043 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1281) -1 -8.601255 19.787398 -10.985510 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1282) -1 -30.131427 -21.711872 -2.563673 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1282) -1 -29.512183 -21.358354 -1.878145 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1282) -1 -30.659027 -20.897556 -2.730881 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1284) -1 10.650067 14.329491 8.990572 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1284) -1 9.974342 14.976780 8.749728 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1284) -1 11.433823 14.698908 8.514049 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1285) -1 -23.811741 3.669346 -3.145490 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1285) -1 -23.167705 3.339599 -3.836919 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1285) -1 -24.572795 3.071040 -3.382182 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1286) -1 -20.738882 10.325712 12.539815 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1286) -1 -20.782642 11.303414 12.597216 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1286) -1 -20.094586 10.142784 13.259134 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1287) -1 -10.490021 -19.154243 1.317947 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1287) -1 -10.993974 -19.076674 2.177254 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1287) -1 -9.721717 -19.678616 1.670563 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1288) -1 11.254265 -16.647258 -3.012164 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1288) -1 11.091389 -17.186489 -3.816690 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1288) -1 11.240293 -17.352591 -2.326984 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1289) -1 33.145904 7.921844 5.992100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1289) -1 33.557717 8.439314 5.259586 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1289) -1 32.409138 7.503445 5.492931 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1290) -1 13.768949 -13.647005 5.245162 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1290) -1 13.531819 -13.592406 6.193254 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1290) -1 14.321948 -12.841395 5.157514 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1291) -1 16.785707 22.966719 6.439814 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1291) -1 16.726671 23.095394 5.472302 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1291) -1 16.575841 22.014588 6.506834 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1292) -1 -10.159982 -16.760930 -6.172905 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1292) -1 -10.939244 -16.204707 -5.923532 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1292) -1 -10.361797 -16.879459 -7.135271 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1293) -1 -25.166648 2.115528 -9.531164 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1293) -1 -24.553758 1.598358 -8.963377 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1293) -1 -25.744441 1.395310 -9.858484 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1294) -1 -0.600052 -15.694784 4.797844 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1294) -1 0.300831 -15.813917 5.189402 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1294) -1 -1.037279 -16.491583 5.196566 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1295) -1 8.048629 1.340978 -10.829251 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1295) -1 7.346865 0.672135 -11.004452 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1295) -1 8.840216 0.765589 -10.891126 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1296) -1 -0.941955 -1.699289 -11.045059 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1296) -1 -1.518648 -2.394994 -11.445291 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1296) -1 -0.477309 -2.276868 -10.377800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1297) -1 20.004652 10.759635 -14.792745 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1297) -1 19.619526 10.980693 -13.914305 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1297) -1 20.617661 11.527226 -14.895228 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1298) -1 -9.038792 -18.018303 -0.621681 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1298) -1 -8.187441 -18.381499 -0.259696 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1298) -1 -9.642750 -18.324544 0.102526 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1299) -1 19.069523 11.085007 -12.244131 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1299) -1 19.536240 10.465061 -11.640864 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1299) -1 18.137938 10.850594 -12.036004 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1300) -1 -1.504687 -16.377966 8.658534 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1300) -1 -2.354326 -16.632297 9.103496 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1300) -1 -1.836474 -15.626760 8.107739 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1301) -1 -8.693219 24.817746 -5.043356 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1301) -1 -8.270204 25.516399 -5.595891 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1301) -1 -8.017479 24.105969 -5.140200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1302) -1 -21.772168 16.754331 1.112631 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1302) -1 -21.571923 16.008335 0.487800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1302) -1 -20.870950 16.805413 1.539175 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1303) -1 -10.010622 17.871880 -3.184401 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1303) -1 -10.055366 16.908346 -2.982665 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1303) -1 -9.235793 18.121721 -2.632986 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1304) -1 -18.700397 10.104837 -1.724903 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1304) -1 -19.374842 9.875259 -1.050774 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1304) -1 -18.062233 10.603873 -1.177454 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1305) -1 23.126747 -8.725025 14.305367 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1305) -1 22.374173 -8.317105 13.794371 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1305) -1 22.641877 -8.868289 15.159051 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1306) -1 -12.924965 29.810329 -3.383780 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1306) -1 -12.238659 29.475749 -4.016613 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1306) -1 -12.487637 29.514797 -2.540648 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1307) -1 -19.787983 6.607426 7.744330 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1307) -1 -20.263672 6.075260 7.064817 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1307) -1 -18.888539 6.631070 7.363510 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1308) -1 19.158418 16.348937 -2.426400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1308) -1 18.784799 15.439698 -2.457915 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1308) -1 19.375927 16.469679 -3.385919 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1309) -1 14.285964 12.547559 16.135545 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1309) -1 15.112826 12.805435 15.673438 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1309) -1 13.631932 13.044890 15.593215 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1310) -1 8.010237 13.409729 -9.722610 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1310) -1 8.761423 13.292999 -9.089578 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1310) -1 8.508259 13.782420 -10.484679 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1311) -1 2.954927 -4.285651 16.515720 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1311) -1 3.895044 -4.306937 16.738181 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1311) -1 2.945861 -3.583656 15.821964 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1312) -1 32.691027 11.683314 -3.750463 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1312) -1 33.329195 11.268242 -3.123578 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1312) -1 31.884678 11.681098 -3.193560 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1313) -1 -10.734834 18.097351 -13.574054 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1313) -1 -9.920584 17.861761 -14.044738 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1313) -1 -11.159584 17.208118 -13.488317 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1314) -1 -10.548780 -22.356835 3.032205 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1314) -1 -11.190123 -22.641758 2.341369 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1314) -1 -11.191311 -22.036956 3.715192 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1315) -1 18.534366 -4.556805 -16.989105 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1315) -1 18.872389 -5.471717 -17.115521 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1315) -1 17.729563 -4.767022 -16.453316 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1316) -1 -21.211669 10.053020 -5.076101 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1316) -1 -21.710731 9.290827 -4.689041 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1316) -1 -21.946662 10.540253 -5.498635 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1317) -1 -12.386845 10.050937 -10.021048 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1317) -1 -12.995473 9.631239 -9.356933 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1317) -1 -11.919339 9.237426 -10.319618 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1318) -1 -20.984635 26.518343 -0.093618 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1318) -1 -20.580907 25.642623 0.116737 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1318) -1 -20.690708 26.611208 -1.029142 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1319) -1 23.051742 -15.547337 -11.168412 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1319) -1 22.886879 -15.174456 -12.065167 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1319) -1 22.273025 -16.149473 -11.101905 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1320) -1 4.409691 13.460379 -5.091812 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1320) -1 4.783181 12.601976 -5.393615 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1320) -1 3.606919 13.137505 -4.630239 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1321) -1 -9.262328 14.434111 0.860215 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1321) -1 -10.175034 14.364927 0.509546 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1321) -1 -9.134198 13.520020 1.195708 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1322) -1 -23.528544 -3.032718 2.478535 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1322) -1 -23.974634 -2.351624 1.920333 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1322) -1 -23.389702 -2.484486 3.298457 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1323) -1 2.765526 -2.449192 14.512930 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1323) -1 2.199298 -1.637484 14.502433 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1323) -1 3.127234 -2.377159 13.589050 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1324) -1 -30.386283 -21.267608 -6.861653 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1324) -1 -30.475083 -20.331400 -6.560785 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1324) -1 -30.921562 -21.706871 -6.156351 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1325) -1 -12.579014 16.154408 -4.646041 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1325) -1 -11.896502 15.739293 -5.229781 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1325) -1 -12.581213 17.057848 -5.019889 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1326) -1 -2.280161 10.362008 2.221548 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1326) -1 -1.415889 9.903756 2.160373 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1326) -1 -2.472251 10.512144 1.272544 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1327) -1 -6.086532 21.632612 -9.727272 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1327) -1 -5.242496 21.155328 -9.777725 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1327) -1 -6.682629 20.962184 -10.158860 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1328) -1 -22.930728 -9.963939 -10.949140 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1328) -1 -22.340972 -10.550600 -11.479133 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1328) -1 -22.392392 -9.142200 -10.957512 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1329) -1 -12.102122 15.842476 -13.134375 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1329) -1 -11.951312 15.614139 -12.179628 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1329) -1 -12.049628 14.917752 -13.503337 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1330) -1 28.088478 -11.845053 -6.171855 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1330) -1 27.900609 -12.665488 -6.675571 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1330) -1 27.467868 -11.226585 -6.599830 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1331) -1 -22.592109 19.849830 8.184718 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1331) -1 -22.897180 19.559738 7.307015 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1331) -1 -21.689823 20.171969 7.973625 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1332) -1 17.271026 5.875687 -17.270865 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1332) -1 17.153289 6.517639 -16.530640 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1332) -1 16.905478 5.069546 -16.846666 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1333) -1 -13.033082 2.791186 18.157225 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1333) -1 -12.821035 3.147161 19.046905 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1333) -1 -13.992486 2.602813 18.273285 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1334) -1 -12.276004 15.954945 5.404139 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1334) -1 -12.457914 15.987739 6.368748 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1334) -1 -12.894445 15.236760 5.137678 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1335) -1 -27.728651 -17.164413 -2.738206 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1335) -1 -28.491603 -17.083243 -3.359664 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1335) -1 -27.858058 -16.333455 -2.225859 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1336) -1 -17.278863 -9.591957 15.229247 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1336) -1 -17.359687 -9.578164 14.247183 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1336) -1 -17.020080 -10.507221 15.383391 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1337) -1 28.658157 3.411778 -9.847718 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1337) -1 28.683371 4.215721 -10.426137 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1337) -1 29.607832 3.242683 -9.747952 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1338) -1 -2.399624 -18.575418 0.837500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1338) -1 -3.329735 -18.448396 1.101099 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1338) -1 -2.387693 -19.508696 0.591131 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1339) -1 -23.551549 16.082498 7.701255 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1339) -1 -22.922277 15.331438 7.838215 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1339) -1 -24.324160 15.567468 7.366438 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1340) -1 31.614220 12.701425 -5.976220 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1340) -1 32.104825 12.381470 -5.179397 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1340) -1 31.975368 12.120274 -6.656335 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1341) -1 -11.875170 28.660096 -1.172746 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1341) -1 -12.627391 28.650596 -0.535015 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1341) -1 -11.402966 27.846912 -0.870136 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1342) -1 -6.081369 -10.867468 -12.363417 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1342) -1 -5.711794 -11.644305 -12.810586 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1342) -1 -5.336389 -10.571842 -11.811928 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1343) -1 -11.187642 28.640837 -5.062139 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1343) -1 -11.021287 27.695874 -5.296589 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1343) -1 -10.468019 28.755972 -4.385667 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1344) -1 -15.964698 4.183919 16.723489 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1344) -1 -16.814068 4.316129 16.247208 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1344) -1 -16.204497 3.462083 17.331333 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1345) -1 16.734532 17.608773 -2.003989 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1345) -1 17.682429 17.334928 -2.011369 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1345) -1 16.654476 17.829762 -1.032956 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1346) -1 33.750983 9.085566 3.604751 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1346) -1 33.100302 9.785227 3.351222 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1346) -1 33.506021 8.401262 2.933506 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1347) -1 -18.959494 26.774565 -14.831087 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1347) -1 -19.264622 25.924060 -15.228940 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1347) -1 -18.857623 26.487877 -13.900475 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1348) -1 -18.127267 6.714244 12.150478 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1348) -1 -18.360836 5.760863 12.299096 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1348) -1 -18.806507 6.916770 11.458870 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1349) -1 -7.593777 -21.786796 -3.289581 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1349) -1 -8.271158 -21.136840 -2.955873 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1349) -1 -6.789427 -21.318985 -2.940807 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1350) -1 -10.368966 -8.455873 18.220178 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1350) -1 -9.818709 -9.163566 18.630467 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1350) -1 -10.149391 -7.716205 18.840789 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1351) -1 26.117817 14.028776 10.424643 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1351) -1 26.216298 13.530627 9.593019 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1351) -1 25.170814 14.290564 10.368391 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1352) -1 22.313293 -15.480554 5.374011 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1352) -1 21.474212 -15.184344 4.953264 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1352) -1 22.358595 -14.804557 6.104579 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1353) -1 9.893205 12.515514 -2.611673 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1353) -1 10.128520 12.616817 -1.651156 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1353) -1 10.785308 12.263121 -2.953434 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1354) -1 14.705099 9.899729 13.322287 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1354) -1 15.684297 10.003786 13.352041 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1354) -1 14.482975 10.778273 12.903830 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1355) -1 11.031019 -6.148701 6.061919 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1355) -1 11.291546 -7.063636 5.811549 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1355) -1 10.497262 -6.346417 6.869634 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1356) -1 30.570783 -7.966254 -4.039151 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1356) -1 29.711581 -7.608333 -3.728649 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1356) -1 30.314542 -8.905306 -4.184366 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1357) -1 -1.958277 -13.473112 -4.570529 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1357) -1 -2.794615 -13.555712 -4.074340 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1357) -1 -1.654510 -14.408986 -4.545789 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1358) -1 11.527374 15.276276 3.130102 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1358) -1 12.344165 15.114499 3.682240 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1358) -1 11.380170 16.223079 3.412040 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1359) -1 20.934521 5.672836 -9.432926 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1359) -1 20.214570 5.784322 -8.789021 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1359) -1 21.419447 6.521988 -9.301047 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1360) -1 22.194112 -15.383157 -5.309667 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1360) -1 21.689609 -15.724676 -6.067768 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1360) -1 21.675717 -15.724160 -4.559382 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1361) -1 21.107177 12.620735 12.487119 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1361) -1 20.389844 13.019097 13.046111 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1361) -1 21.076315 13.280717 11.742484 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1362) -1 22.552324 -14.138941 -13.439747 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1362) -1 22.272969 -13.215336 -13.687711 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1362) -1 21.858375 -14.625255 -13.987299 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1363) -1 11.397856 0.588000 -17.332295 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1363) -1 10.425616 0.476408 -17.520525 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1363) -1 11.505611 -0.180718 -16.719626 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1364) -1 24.103517 -1.916836 -15.217957 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1364) -1 23.343964 -1.302439 -15.296974 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1364) -1 24.431139 -1.664783 -14.328130 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1365) -1 -19.663912 18.694915 -10.196352 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1365) -1 -19.287912 18.367693 -11.042010 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1365) -1 -19.517915 17.889991 -9.642308 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1366) -1 6.924945 -7.463546 -11.169781 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1366) -1 6.552983 -7.041478 -10.360666 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1366) -1 7.638081 -7.999159 -10.758820 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1367) -1 -7.455076 -17.417754 14.910905 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1367) -1 -7.333674 -16.947535 14.043159 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1367) -1 -6.818104 -18.154130 14.763620 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1368) -1 -6.692891 22.902432 -5.072499 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1368) -1 -5.837060 22.989270 -4.620270 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1368) -1 -7.056432 22.113187 -4.595058 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1369) -1 -26.460721 -24.413307 -1.920257 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1369) -1 -25.725810 -23.914476 -2.364136 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1369) -1 -27.209371 -24.112230 -2.492482 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1370) -1 12.029352 8.243351 9.669914 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1370) -1 12.570299 7.961420 10.445605 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1370) -1 11.639888 7.368945 9.423535 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1371) -1 -15.834693 13.642561 -0.028251 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1371) -1 -14.958899 13.282898 -0.355894 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1371) -1 -16.351091 12.796484 -0.111128 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1372) -1 -6.624852 4.219154 15.868393 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1372) -1 -5.831706 3.659142 16.022816 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1372) -1 -6.967420 4.280063 16.788782 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1373) -1 21.311895 -8.928181 16.312355 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1373) -1 20.457264 -8.811894 15.833005 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1373) -1 21.019680 -8.839643 17.228043 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1374) -1 -17.840926 12.376376 -5.720644 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1374) -1 -18.036498 11.834576 -6.516838 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1374) -1 -16.874011 12.208266 -5.634981 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1375) -1 28.874020 -9.568592 -1.439110 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1375) -1 29.233556 -10.028377 -2.234464 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1375) -1 28.106880 -10.174006 -1.255844 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1376) -1 -10.384253 -21.603472 7.143577 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1376) -1 -9.551105 -21.072607 7.162491 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1376) -1 -10.714472 -21.380690 8.052149 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1377) -1 31.682144 2.994192 -1.819780 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1377) -1 30.897641 2.810926 -2.401179 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1377) -1 32.087795 3.720971 -2.354270 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1378) -1 -12.106714 20.856624 8.746477 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1378) -1 -13.076794 20.960605 8.633170 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1378) -1 -12.100195 20.415653 9.634885 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1379) -1 -2.040979 9.660234 -5.637683 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1379) -1 -1.185865 9.266344 -5.355304 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1379) -1 -2.389968 8.935847 -6.197786 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1380) -1 -26.978042 -4.450365 -2.668143 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1380) -1 -26.306035 -5.001439 -3.127846 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1380) -1 -26.416995 -4.051484 -1.968421 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1381) -1 -24.339848 -6.001851 19.643057 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1381) -1 -23.425283 -5.855510 19.906767 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1381) -1 -24.241383 -6.100290 18.667456 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1382) -1 -9.926489 17.112427 -9.650866 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1382) -1 -9.041735 16.715503 -9.567854 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1382) -1 -10.072584 17.388429 -8.707532 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1383) -1 -3.979103 -17.001988 -9.761250 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1383) -1 -3.128734 -16.608307 -10.049886 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1383) -1 -3.790017 -17.160635 -8.813778 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1384) -1 18.848271 7.718563 13.339036 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1384) -1 19.337843 8.563241 13.228197 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1384) -1 17.997424 8.039476 13.671807 L 1 944 1.0 2 1.0 3 1.0 4 1.0 2 3 4 5 1.0 6 1.0 7 1.0 5 6 7 8 1.0 9 1.0 8 9 10 1013 1.0 11 1.0 1015 1.0 12 1.0 11 12 13 1.0 14 1.0 13 14 15 1.0 16 1.0 15 16 17 1.0 18 1.0 22 1.0 17 18 19 1.0 20 1.0 21 1.0 19 20 21 22 23 1.0 24 1.0 23 24 25 1.0 26 1.0 25 26 27 1.0 28 1.0 29 1.0 27 28 29 30 1.0 31 1.0 30 31 32 1.0 33 1.0 32 33 34 1.0 35 1.0 46 1.0 34 35 36 1.0 37 1.0 38 1.0 36 37 38 39 1.0 44 1.0 39 40 1.0 41 1.0 40 41 42 1.0 43 1.0 42 43 44 1.0 44 45 1.0 45 46 47 1.0 48 1.0 47 48 49 1.0 50 1.0 49 50 51 1.0 52 1.0 151 1.0 51 52 53 1.0 54 1.0 55 1.0 53 54 55 56 1.0 56 57 1981 1.0 58 1.0 59 1.0 60 1.0 58 59 60 61 1.0 62 1.0 61 62 63 1.0 66 1.0 63 64 1.0 65 1.0 64 65 66 67 1.0 68 1.0 67 68 69 70 1.0 73 1.0 77 1.0 78 1.0 70 71 1.0 72 1.0 71 72 73 74 1.0 75 1.0 76 1.0 74 75 76 77 78 79 1.0 80 1.0 81 1.0 79 80 81 82 1.0 83 1.0 84 1.0 82 83 84 85 1.0 123 1.0 85 86 1.0 122 1.0 86 87 1.0 111 1.0 121 1.0 87 88 1.0 109 1.0 110 1.0 88 89 1.0 89 90 1.0 90 91 1.0 107 1.0 108 1.0 91 92 1.0 99 1.0 106 1.0 92 93 1.0 98 1.0 93 94 1.0 97 1.0 94 3780 1.0 95 1.0 96 1.0 95 96 97 98 99 100 1.0 105 1.0 100 101 1.0 104 1.0 101 3783 1.0 102 1.0 103 1.0 102 103 104 105 106 107 108 109 110 111 112 1.0 113 1.0 112 113 114 1.0 120 1.0 114 115 1.0 118 1.0 119 1.0 115 116 1.0 117 1.0 116 117 118 119 120 121 122 123 124 125 1.0 126 1.0 125 126 1.0 126 127 128 1.0 129 1.0 128 129 1.0 129 130 131 1.0 132 1.0 131 132 1.0 132 133 134 1.0 135 1.0 134 135 1.0 135 136 137 1.0 138 1.0 137 138 1.0 138 139 140 1.0 141 1.0 140 141 1.0 141 142 143 1.0 144 1.0 143 144 1.0 144 145 146 1.0 147 1.0 146 147 1.0 147 148 149 1.0 150 1.0 149 150 1.0 150 151 152 1.0 153 1.0 152 153 154 1.0 1033 1.0 154 155 1401 1.0 156 1.0 157 1.0 158 1.0 156 157 158 159 1.0 160 1.0 161 1.0 159 160 161 162 1.0 163 1.0 164 1.0 162 163 164 165 166 1.0 167 1.0 166 167 1.0 167 168 169 1.0 170 1.0 169 170 1.0 170 171 172 1.0 173 1.0 172 173 1.0 173 174 175 1.0 176 1.0 175 176 1.0 176 177 178 1.0 179 1.0 178 179 1.0 179 180 181 1.0 182 1.0 181 182 1.0 182 183 184 1.0 185 1.0 184 185 1.0 185 186 187 1.0 188 1.0 187 188 1.0 188 189 190 1.0 191 1.0 190 191 1.0 191 192 193 1.0 194 1.0 193 194 1.0 194 195 196 1.0 197 1.0 196 197 1.0 197 198 199 1.0 200 1.0 199 200 1.0 200 201 202 1.0 203 1.0 202 203 1.0 203 204 205 1.0 206 1.0 207 1.0 208 1.0 205 206 207 208 209 1.0 210 1.0 221 1.0 209 210 211 1.0 212 1.0 213 1.0 211 212 213 214 1.0 215 1.0 216 1.0 214 215 216 217 1.0 217 218 1.0 219 1.0 220 1.0 218 219 220 221 222 1.0 223 1.0 222 223 224 1.0 225 1.0 224 225 226 1.0 227 1.0 240 1.0 226 227 228 1.0 229 1.0 230 1.0 228 229 230 231 1.0 232 1.0 236 1.0 231 232 233 1.0 234 1.0 235 1.0 233 234 235 236 237 1.0 238 1.0 239 1.0 237 238 239 240 241 1.0 242 1.0 241 242 243 1.0 244 1.0 243 244 245 1.0 246 1.0 264 1.0 245 246 247 1.0 248 1.0 249 1.0 247 248 249 250 1.0 251 1.0 252 1.0 250 251 252 253 1.0 254 1.0 255 1.0 253 254 255 256 1.0 257 1.0 256 257 258 1.0 261 1.0 258 259 1.0 260 1.0 259 260 261 262 1.0 263 1.0 262 263 264 265 1.0 266 1.0 265 266 267 1.0 268 1.0 267 268 269 1.0 270 1.0 288 1.0 269 270 271 1.0 272 1.0 273 1.0 271 272 273 274 1.0 275 1.0 276 1.0 274 275 276 277 1.0 278 1.0 279 1.0 277 278 279 280 1.0 281 1.0 280 281 282 1.0 285 1.0 282 283 1.0 284 1.0 283 284 285 286 1.0 287 1.0 286 287 288 289 1.0 290 1.0 289 290 291 1.0 292 1.0 291 292 293 1.0 294 1.0 298 1.0 293 294 295 1.0 296 1.0 297 1.0 295 296 297 298 299 1.0 300 1.0 299 300 301 1.0 302 1.0 301 302 303 1.0 304 1.0 317 1.0 303 304 305 1.0 306 1.0 307 1.0 305 306 307 308 1.0 309 1.0 313 1.0 308 309 310 1.0 311 1.0 312 1.0 310 311 312 313 314 1.0 315 1.0 316 1.0 314 315 316 317 318 1.0 319 1.0 318 319 320 1.0 321 1.0 320 321 322 1.0 323 1.0 336 1.0 322 323 324 1.0 325 1.0 326 1.0 324 325 326 327 1.0 328 1.0 332 1.0 327 328 329 1.0 330 1.0 331 1.0 329 330 331 332 333 1.0 334 1.0 335 1.0 333 334 335 336 337 1.0 338 1.0 337 338 339 1.0 340 1.0 339 340 341 1.0 342 1.0 347 1.0 341 342 343 1.0 344 1.0 345 1.0 343 344 345 346 1.0 346 347 348 1.0 349 1.0 348 349 350 1.0 351 1.0 350 351 352 1.0 353 1.0 366 1.0 352 353 354 1.0 355 1.0 356 1.0 354 355 356 357 1.0 358 1.0 362 1.0 357 358 359 1.0 360 1.0 361 1.0 359 360 361 362 363 1.0 364 1.0 365 1.0 363 364 365 366 367 1.0 368 1.0 367 368 369 1.0 370 1.0 369 370 371 1.0 372 1.0 376 1.0 371 372 373 1.0 374 1.0 375 1.0 373 374 375 376 377 1.0 378 1.0 377 378 379 1.0 380 1.0 379 380 381 1.0 382 1.0 392 1.0 381 382 383 1.0 384 1.0 388 1.0 383 384 385 1.0 386 1.0 387 1.0 385 386 387 388 389 1.0 390 1.0 391 1.0 389 390 391 392 393 1.0 394 1.0 393 394 395 1.0 396 1.0 395 396 397 1.0 398 1.0 402 1.0 397 398 399 1.0 400 1.0 401 1.0 399 400 401 402 403 1.0 404 1.0 403 404 405 1.0 406 1.0 405 406 407 1.0 408 1.0 412 1.0 407 408 409 1.0 410 1.0 411 1.0 409 410 411 412 413 1.0 414 1.0 413 414 415 1.0 416 1.0 415 416 417 1.0 418 1.0 431 1.0 417 418 419 1.0 420 1.0 421 1.0 419 420 421 422 1.0 423 1.0 427 1.0 422 423 424 1.0 425 1.0 426 1.0 424 425 426 427 428 1.0 429 1.0 430 1.0 428 429 430 431 432 1.0 433 1.0 432 433 434 1.0 435 1.0 434 435 436 1.0 437 1.0 447 1.0 436 437 438 1.0 439 1.0 443 1.0 438 439 440 1.0 441 1.0 442 1.0 440 441 442 443 444 1.0 445 1.0 446 1.0 444 445 446 447 448 1.0 449 1.0 448 449 450 1.0 451 1.0 450 451 452 1.0 453 1.0 471 1.0 452 453 454 1.0 455 1.0 456 1.0 454 455 456 457 1.0 458 1.0 459 1.0 457 458 459 460 1.0 461 1.0 462 1.0 460 461 462 463 1.0 464 1.0 463 464 465 1.0 468 1.0 465 466 1.0 467 1.0 466 467 468 469 1.0 470 1.0 469 470 471 472 1.0 473 1.0 472 473 474 1.0 475 1.0 474 475 476 1.0 477 1.0 481 1.0 476 477 478 1.0 479 1.0 480 1.0 478 479 480 481 482 1.0 483 1.0 482 483 484 1.0 485 1.0 484 485 486 1.0 487 1.0 493 1.0 486 487 488 1.0 489 1.0 490 1.0 488 489 490 491 1.0 492 1.0 491 492 493 494 1.0 495 1.0 494 495 496 1.0 497 1.0 496 497 498 1.0 499 1.0 503 1.0 498 499 500 1.0 501 1.0 502 1.0 500 501 502 503 504 1.0 505 1.0 504 505 506 1.0 515 1.0 506 507 1.0 508 1.0 509 1.0 507 508 509 510 1.0 511 1.0 512 1.0 510 511 512 513 1.0 514 1.0 515 1.0 513 514 515 516 1.0 517 1.0 516 517 518 1.0 519 1.0 518 519 520 1.0 521 1.0 520 521 522 1.0 523 1.0 532 1.0 522 523 524 1.0 525 1.0 526 1.0 524 525 526 527 1.0 528 1.0 529 1.0 527 528 529 530 1.0 531 1.0 530 531 532 533 1.0 534 1.0 533 534 535 1.0 536 1.0 535 536 537 1.0 538 1.0 547 1.0 537 538 539 1.0 540 1.0 541 1.0 539 540 541 542 1.0 543 1.0 544 1.0 542 543 544 545 1.0 546 1.0 545 546 547 548 1.0 549 1.0 548 549 550 1.0 551 1.0 550 551 552 1.0 553 1.0 562 1.0 552 553 554 1.0 555 1.0 556 1.0 554 555 556 557 1.0 558 1.0 559 1.0 557 558 559 560 1.0 561 1.0 560 561 562 563 1.0 564 1.0 563 564 565 1.0 566 1.0 565 566 567 1.0 568 1.0 574 1.0 567 568 569 1.0 570 1.0 571 1.0 569 570 571 572 1.0 573 1.0 572 573 574 575 1.0 576 1.0 575 576 577 1.0 578 1.0 577 578 579 1.0 580 1.0 591 1.0 579 580 581 1.0 582 1.0 583 1.0 581 582 583 584 1.0 589 1.0 584 585 1.0 586 1.0 585 586 587 1.0 588 1.0 587 588 589 1.0 589 590 1.0 590 591 592 1.0 593 1.0 592 593 594 1.0 595 1.0 594 595 596 1.0 597 1.0 607 1.0 596 597 598 1.0 599 1.0 603 1.0 598 599 600 1.0 601 1.0 602 1.0 600 601 602 603 604 1.0 605 1.0 606 1.0 604 605 606 607 608 1.0 609 1.0 608 609 610 1.0 611 1.0 610 611 612 1.0 613 1.0 626 1.0 612 613 614 1.0 615 1.0 616 1.0 614 615 616 617 1.0 618 1.0 622 1.0 617 618 619 1.0 620 1.0 621 1.0 619 620 621 622 623 1.0 624 1.0 625 1.0 623 624 625 626 627 1.0 628 1.0 627 628 629 1.0 630 1.0 629 630 631 1.0 632 1.0 642 1.0 631 632 633 1.0 634 1.0 638 1.0 633 634 635 1.0 636 1.0 637 1.0 635 636 637 638 639 1.0 640 1.0 641 1.0 639 640 641 642 643 1.0 644 1.0 643 644 645 1.0 646 1.0 645 646 647 1.0 648 1.0 661 1.0 647 648 649 1.0 650 1.0 651 1.0 649 650 651 652 1.0 653 1.0 657 1.0 652 653 654 1.0 655 1.0 656 1.0 654 655 656 657 658 1.0 659 1.0 660 1.0 658 659 660 661 662 1.0 663 1.0 662 663 664 1.0 665 1.0 664 665 666 1.0 667 1.0 685 1.0 666 667 668 1.0 669 1.0 670 1.0 668 669 670 671 1.0 672 1.0 673 1.0 671 672 673 674 1.0 675 1.0 676 1.0 674 675 676 677 1.0 678 1.0 677 678 679 1.0 682 1.0 679 680 1.0 681 1.0 680 681 682 683 1.0 684 1.0 683 684 685 686 1.0 687 1.0 686 687 688 1.0 689 1.0 688 689 690 1.0 691 1.0 707 1.0 690 691 692 1.0 693 1.0 694 1.0 692 693 694 695 1.0 696 1.0 697 1.0 695 696 697 698 1.0 699 1.0 700 1.0 698 699 700 701 1.0 702 1.0 703 1.0 701 702 703 704 1.0 705 1.0 706 1.0 704 705 706 707 708 1.0 709 1.0 708 709 710 1.0 711 1.0 710 711 712 1.0 713 1.0 718 1.0 712 713 714 1.0 715 1.0 716 1.0 714 715 716 717 1.0 717 718 719 1.0 720 1.0 719 720 721 1.0 722 1.0 721 722 723 1.0 724 1.0 732 1.0 723 724 725 1.0 726 1.0 727 1.0 725 726 727 728 1.0 729 1.0 728 729 730 1.0 731 1.0 730 731 732 733 1.0 734 1.0 733 734 735 1.0 736 1.0 735 736 737 1.0 738 1.0 752 1.0 737 738 739 1.0 740 1.0 741 1.0 739 740 741 742 1.0 750 1.0 742 743 1.0 744 1.0 743 744 745 1.0 746 1.0 745 746 747 1.0 748 1.0 747 748 749 1.0 750 1.0 749 750 751 1.0 751 752 753 1.0 754 1.0 753 754 755 1.0 756 1.0 755 756 757 1.0 758 1.0 762 1.0 757 758 759 1.0 760 1.0 761 1.0 759 760 761 762 763 1.0 764 1.0 763 764 765 1.0 766 1.0 765 766 767 1.0 768 1.0 777 1.0 767 768 769 1.0 770 1.0 771 1.0 769 770 771 772 1.0 773 1.0 774 1.0 772 773 774 775 1.0 776 1.0 775 776 777 778 1.0 779 1.0 778 779 780 1.0 781 1.0 780 781 782 1.0 783 1.0 787 1.0 782 783 784 1.0 785 1.0 786 1.0 784 785 786 787 788 1.0 789 1.0 788 789 790 1.0 791 1.0 790 791 792 1.0 793 1.0 806 1.0 792 793 794 1.0 795 1.0 796 1.0 794 795 796 797 1.0 798 1.0 802 1.0 797 798 799 1.0 800 1.0 801 1.0 799 800 801 802 803 1.0 804 1.0 805 1.0 803 804 805 806 807 1.0 808 1.0 807 808 809 1.0 810 1.0 809 810 811 1.0 812 1.0 816 1.0 811 812 813 1.0 814 1.0 815 1.0 813 814 815 816 817 1.0 818 1.0 817 818 819 1.0 820 1.0 819 820 821 1.0 822 1.0 826 1.0 821 822 823 1.0 824 1.0 825 1.0 823 824 825 826 827 1.0 828 1.0 827 828 829 1.0 830 1.0 829 830 831 1.0 832 1.0 843 1.0 831 832 833 1.0 834 1.0 835 1.0 833 834 835 836 1.0 841 1.0 836 837 1.0 838 1.0 837 838 839 1.0 840 1.0 839 840 841 1.0 841 842 1.0 842 843 844 1.0 845 1.0 844 845 846 1.0 847 1.0 846 847 848 1.0 849 1.0 865 1.0 848 849 850 1.0 851 1.0 852 1.0 850 851 852 853 1.0 854 1.0 855 1.0 853 854 855 856 1.0 857 1.0 858 1.0 856 857 858 859 1.0 860 1.0 861 1.0 859 860 861 862 1.0 863 1.0 864 1.0 862 863 864 865 866 1.0 867 1.0 866 867 868 1.0 869 1.0 868 869 870 1.0 871 1.0 886 1.0 870 871 872 1.0 873 1.0 874 1.0 872 873 874 875 1.0 884 1.0 875 876 1.0 877 1.0 876 877 878 1.0 879 1.0 878 879 880 1.0 882 1.0 880 881 1.0 881 882 883 1.0 884 1.0 883 884 885 1.0 885 886 887 1.0 888 1.0 887 888 889 1.0 890 1.0 889 890 891 1.0 892 1.0 905 1.0 891 892 893 1.0 894 1.0 895 1.0 893 894 895 896 1.0 897 1.0 901 1.0 896 897 898 1.0 899 1.0 900 1.0 898 899 900 901 902 1.0 903 1.0 904 1.0 902 903 904 905 906 1.0 907 1.0 906 907 908 1.0 909 1.0 908 909 910 1.0 911 1.0 924 1.0 910 911 912 1.0 913 1.0 914 1.0 912 913 914 915 1.0 916 1.0 920 1.0 915 916 917 1.0 918 1.0 919 1.0 917 918 919 920 921 1.0 922 1.0 923 1.0 921 922 923 924 925 1.0 926 1.0 925 926 927 1.0 928 1.0 927 928 929 1.0 930 1.0 940 1.0 929 930 931 1.0 932 1.0 936 1.0 931 932 933 1.0 934 1.0 935 1.0 933 934 935 936 937 1.0 938 1.0 939 1.0 937 938 939 940 941 1.0 942 1.0 941 942 943 1.0 944 1.0 943 944 945 1.0 946 1.0 945 946 947 1.0 948 1.0 947 948 949 1.0 950 1.0 949 950 951 1.0 952 1.0 966 1.0 951 952 953 1.0 954 1.0 955 1.0 953 954 955 956 1.0 964 1.0 956 957 1.0 958 1.0 957 958 959 1.0 960 1.0 959 960 961 1.0 962 1.0 961 962 963 1.0 964 1.0 963 964 965 1.0 965 966 967 1.0 968 1.0 967 968 969 1.0 970 1.0 969 970 971 1.0 972 1.0 987 1.0 971 972 973 1.0 974 1.0 975 1.0 973 974 975 976 1.0 985 1.0 976 977 1.0 978 1.0 977 978 979 1.0 980 1.0 979 980 981 1.0 983 1.0 981 982 1.0 982 983 984 1.0 985 1.0 984 985 986 1.0 986 987 988 1.0 989 1.0 988 989 990 1.0 991 1.0 990 991 992 1.0 993 1.0 997 1.0 992 993 994 1.0 995 1.0 996 1.0 994 995 996 997 998 1.0 999 1.0 998 999 1000 1.0 1009 1.0 1000 1001 1.0 1002 1.0 1003 1.0 1001 1002 1003 1004 1.0 1005 1.0 1006 1.0 1004 1005 1006 1007 1.0 1008 1.0 1009 1.0 1007 1008 1009 1010 1.0 1011 1.0 1010 1011 1012 1.0 1013 1.0 1012 1013 1014 1.0 1014 1015 1016 1.0 1017 1.0 1018 1.0 1016 1017 1018 1019 1.0 1032 1.0 1019 1020 1.0 1021 1.0 1020 1021 1022 1.0 1023 1.0 1022 1023 1024 1.0 1032 1.0 1024 1025 1.0 1026 1.0 1025 1026 1027 1.0 1028 1.0 1027 1028 1029 1.0 1030 1.0 1029 1030 1031 1.0 1032 1.0 1031 1032 1033 1034 1.0 1035 1.0 1051 1.0 1034 1035 1036 1.0 1037 1.0 1038 1.0 1036 1037 1038 1039 1.0 1040 1.0 1041 1.0 1039 1040 1041 1042 1.0 1043 1.0 1044 1.0 1042 1043 1044 1045 1.0 1046 1.0 1047 1.0 1045 1046 1047 1048 1.0 1049 1.0 1050 1.0 1048 1049 1050 1051 1052 1.0 1053 1.0 1052 1053 1054 1.0 1055 1.0 1054 1055 1056 1.0 1057 1.0 1061 1.0 1056 1057 1058 1.0 1059 1.0 1060 1.0 1058 1059 1060 1061 1062 1.0 1063 1.0 1062 1063 1064 1.0 1065 1.0 1064 1065 1066 1.0 1067 1.0 1080 1.0 1066 1067 1068 1.0 1069 1.0 1070 1.0 1068 1069 1070 1071 1.0 1072 1.0 1076 1.0 1071 1072 1073 1.0 1074 1.0 1075 1.0 1073 1074 1075 1076 1077 1.0 1078 1.0 1079 1.0 1077 1078 1079 1080 1081 1.0 1082 1.0 1081 1082 1083 1.0 1084 1.0 1083 1084 1085 1.0 1086 1.0 1090 1.0 1085 1086 1087 1.0 1088 1.0 1089 1.0 1087 1088 1089 1090 1091 1.0 1092 1.0 1091 1092 1093 1.0 1102 1.0 1093 1094 1.0 1095 1.0 1096 1.0 1094 1095 1096 1097 1.0 1098 1.0 1099 1.0 1097 1098 1099 1100 1.0 1101 1.0 1102 1.0 1100 1101 1102 1103 1.0 1104 1.0 1103 1104 1105 1.0 1106 1.0 1105 1106 1107 1.0 1108 1.0 1107 1108 1109 1.0 1110 1.0 1119 1.0 1109 1110 1111 1.0 1112 1.0 1113 1.0 1111 1112 1113 1114 1.0 1115 1.0 1116 1.0 1114 1115 1116 1117 1.0 1118 1.0 1117 1118 1119 1120 1.0 1121 1.0 1120 1121 1122 1.0 1123 1.0 1122 1123 1124 1.0 1125 1.0 1140 1.0 1124 1125 1126 1.0 1127 1.0 1128 1.0 1126 1127 1128 1129 1.0 1138 1.0 1129 1130 1.0 1131 1.0 1130 1131 1132 1.0 1133 1.0 1132 1133 1134 1.0 1136 1.0 1134 1135 1.0 1135 1136 1137 1.0 1138 1.0 1137 1138 1139 1.0 1139 1140 1141 1.0 1142 1.0 1141 1142 1143 1.0 1144 1.0 1143 1144 1145 1.0 1146 1.0 1150 1.0 1145 1146 1147 1.0 1148 1.0 1149 1.0 1147 1148 1149 1150 1151 1.0 1152 1.0 1151 1152 1153 1.0 1154 1.0 1153 1154 1155 1.0 1156 1.0 1172 1.0 1155 1156 1157 1.0 1158 1.0 1159 1.0 1157 1158 1159 1160 1.0 1161 1.0 1162 1.0 1160 1161 1162 1163 1.0 1164 1.0 1165 1.0 1163 1164 1165 1166 1.0 1167 1.0 1168 1.0 1166 1167 1168 1169 1.0 1170 1.0 1171 1.0 1169 1170 1171 1172 1173 1.0 1174 1.0 1173 1174 1175 1.0 1176 1.0 1175 1176 1177 1.0 1178 1.0 1182 1.0 1177 1178 1179 1.0 1180 1.0 1181 1.0 1179 1180 1181 1182 1183 1.0 1184 1.0 1183 1184 1185 1.0 1186 1.0 1185 1186 1187 1.0 1188 1.0 1192 1.0 1187 1188 1189 1.0 1190 1.0 1191 1.0 1189 1190 1191 1192 1193 1.0 1194 1.0 1193 1194 1195 1.0 1196 1.0 1195 1196 1197 1.0 1198 1.0 1199 1.0 1197 1198 1199 1200 1.0 1201 1.0 1200 1201 1202 1.0 1203 1.0 1202 1203 1204 1.0 1205 1.0 1221 1.0 1204 1205 1206 1.0 1207 1.0 1208 1.0 1206 1207 1208 1209 1.0 1210 1.0 1211 1.0 1209 1210 1211 1212 1.0 1213 1.0 1214 1.0 1212 1213 1214 1215 1.0 1216 1.0 1217 1.0 1215 1216 1217 1218 1.0 1219 1.0 1220 1.0 1218 1219 1220 1221 1222 1.0 1223 1.0 1222 1223 1224 1.0 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2005 1.0 2009 1.0 2004 2005 2006 1.0 2007 1.0 2008 1.0 2006 2007 2008 2009 2010 1.0 2011 1.0 2010 2011 2012 1.0 2013 1.0 2012 2013 2014 1.0 2015 1.0 2021 1.0 2014 2015 2016 1.0 2017 1.0 2018 1.0 2016 2017 2018 2019 1.0 2020 1.0 2019 2020 2021 2022 1.0 2023 1.0 2022 2023 2024 1.0 2025 1.0 2024 2025 2026 1.0 2027 1.0 2033 1.0 2026 2027 2028 1.0 2029 1.0 2030 1.0 2028 2029 2030 2031 1.0 2032 1.0 2031 2032 2033 2034 1.0 2035 1.0 2034 2035 2036 1.0 2037 1.0 2036 2037 2038 1.0 2039 1.0 2052 1.0 2038 2039 2040 1.0 2041 1.0 2045 1.0 2040 2041 2042 1.0 2043 1.0 2044 1.0 2042 2043 2044 2045 2046 1.0 2047 1.0 2048 1.0 2046 2047 2048 2049 1.0 2050 1.0 2051 1.0 2049 2050 2051 2052 2053 1.0 2054 1.0 2053 2054 2055 1.0 2056 1.0 2055 2056 2057 1.0 2058 1.0 2068 1.0 2057 2058 2059 1.0 2060 1.0 2064 1.0 2059 2060 2061 1.0 2062 1.0 2063 1.0 2061 2062 2063 2064 2065 1.0 2066 1.0 2067 1.0 2065 2066 2067 2068 2069 1.0 2070 1.0 2069 2070 2071 1.0 2072 1.0 2071 2072 2073 1.0 2074 1.0 2082 1.0 2073 2074 2075 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7060 1.0 7061 1.0 7060 7061 1.0 7061 7062 7063 1.0 7064 1.0 7063 7064 1.0 7064 7065 7066 1.0 7067 1.0 7066 7067 1.0 7067 7068 7069 1.0 7070 1.0 7069 7070 1.0 7070 7071 7072 1.0 7073 1.0 7072 7073 1.0 7073 7074 7075 1.0 7076 1.0 7075 7076 1.0 7076 7077 7078 1.0 7079 1.0 7078 7079 1.0 7079 7080 7081 1.0 7082 1.0 7081 7082 1.0 7082 7083 7084 1.0 7085 1.0 7084 7085 1.0 7085 7086 7087 1.0 7088 1.0 7087 7088 1.0 7088 7089 7090 1.0 7091 1.0 7090 7091 1.0 7091 7092 7093 1.0 7094 1.0 7093 7094 1.0 7094 7095 7096 1.0 7097 1.0 7096 7097 1.0 7097 7098 7099 1.0 7100 1.0 7099 7100 1.0 7100 7101 7102 1.0 7103 1.0 7102 7103 1.0 7103 7104 7105 1.0 7106 1.0 7105 7106 1.0 7106 7107 7108 1.0 7109 1.0 7108 7109 1.0 7109 7110 7111 1.0 7112 1.0 7111 7112 1.0 7112 7113 7114 1.0 7115 1.0 7114 7115 1.0 7115 7116 7117 1.0 7118 1.0 7117 7118 1.0 7118 7119 7120 1.0 7121 1.0 7120 7121 1.0 7121 7122 7123 1.0 7124 1.0 7123 7124 1.0 7124 7125 7126 1.0 7127 1.0 7126 7127 1.0 7127 7128 7129 1.0 7130 1.0 7129 7130 1.0 7130 7131 7132 1.0 7133 1.0 7132 7133 1.0 7133 7134 7135 1.0 7136 1.0 7135 7136 1.0 7136 7137 7138 1.0 7139 1.0 7138 7139 1.0 7139 7140 7141 1.0 7142 1.0 7141 7142 1.0 7142 7143 7144 1.0 7145 1.0 7144 7145 1.0 7145 7146 7147 1.0 7148 1.0 7147 7148 1.0 7148 7149 7150 1.0 7151 1.0 7150 7151 1.0 7151 7152 7153 1.0 7154 1.0 7153 7154 1.0 7154 7155 7156 1.0 7157 1.0 7156 7157 1.0 7157 7158 7159 1.0 7160 1.0 7159 7160 1.0 7160 7161 7162 1.0 7163 1.0 7162 7163 1.0 7163 7164 7165 1.0 7166 1.0 7165 7166 1.0 7166 VDW C* 1.9080 0.0860 VDW H5 1.3590 0.0150 VDW H4 1.4090 0.0150 VDW HA 1.4590 0.0150 VDW H1 1.3870 0.0157 VDW N3 1.8240 0.1700 VDW N2 1.8240 0.1700 VDW O2 1.6612 0.2100 VDW CN 1.9080 0.0860 VDW NA 1.8240 0.1700 VDW NB 1.8240 0.1700 VDW HS 0.6000 0.0157 VDW HP 1.1000 0.0157 VDW CB 1.9080 0.0860 VDW CC 1.9080 0.0860 VDW OW 1.7683 0.1520 VDW CA 1.9080 0.0860 VDW S 2.0000 0.2500 VDW OH 1.7210 0.2104 VDW CW 1.9080 0.0860 VDW N 1.8240 0.1700 VDW O 1.6612 0.2100 VDW SH 2.0000 0.2500 VDW HC 1.4870 0.0157 VDW H 0.6000 0.0157 VDW CR 1.9080 0.0860 VDW CV 1.9080 0.0860 VDW C 1.9080 0.0860 VDW CT 1.9080 0.1094 HrmStr1 CT H1 340.00 1.0900 HrmStr1 CT HC 340.00 1.0900 HrmStr1 CT HP 340.00 1.0900 HrmStr1 N3 H 434.00 1.0100 HrmStr1 N H 434.00 1.0100 HrmStr1 N2 H 434.00 1.0100 HrmStr1 SH HS 274.00 1.3360 HrmStr1 CV H4 367.00 1.0800 HrmStr1 CR H5 367.00 1.0800 HrmStr1 NA H 434.00 1.0100 HrmStr1 OH HO 553.00 0.9600 HrmStr1 CA HA 367.00 1.0800 HrmStr1 CW H4 367.00 1.0800 HrmStr1 HW HW 553.00 1.5136 HrmStr1 OW HW 553.00 0.9572 HrmStr1 C O 570.00 1.2290 HrmStr1 C N 490.00 1.3350 HrmStr1 S CT 227.00 1.8100 HrmStr1 CT CT 310.00 1.5260 HrmStr1 CT C 317.00 1.5220 HrmStr1 N3 CT 367.00 1.4710 HrmStr1 N CT 337.00 1.4490 HrmStr1 CA N2 481.00 1.3400 HrmStr1 CT N2 337.00 1.4630 HrmStr1 CT SH 237.00 1.8100 HrmStr1 C O2 656.00 1.2500 HrmStr1 NB CV 410.00 1.3940 HrmStr1 CR NB 488.00 1.3350 HrmStr1 NA CR 477.00 1.3430 HrmStr1 CC NA 422.00 1.3850 HrmStr1 CC CV 512.00 1.3750 HrmStr1 CT CC 317.00 1.5040 HrmStr1 CT OH 320.00 1.4100 HrmStr1 CA CA 469.00 1.4000 HrmStr1 CT CA 317.00 1.5100 HrmStr1 C OH 450.00 1.3640 HrmStr1 C CA 469.00 1.4090 HrmStr1 CA CB 469.00 1.4040 HrmStr1 CN CA 469.00 1.4000 HrmStr1 CN CB 447.00 1.4190 HrmStr1 NA CN 428.00 1.3800 HrmStr1 CW NA 427.00 1.3810 HrmStr1 C* CW 546.00 1.3520 HrmStr1 C* CB 388.00 1.4590 HrmStr1 CT C* 317.00 1.4950 HrmStr1 S S 166.00 2.0380 HrmBnd1 HW HW OW 0.00 0.00 HrmBnd1 HW OW HW 0.00 0.00 HrmBnd1 H1 CT HC 35.00 109.5000 #mimick H1-CT-HC HrmBnd1 C N H 50.00 120.0001 HrmBnd1 H1 CT H1 35.00 109.5000 HrmBnd1 S CT H1 50.00 109.5000 HrmBnd1 HC CT CT 50.00 109.5000 HrmBnd1 HC CT HC 35.00 109.5000 HrmBnd1 CT CT H1 50.00 109.5000 HrmBnd1 HP CT CT 50.00 109.5000 HrmBnd1 HP CT C 50.00 109.5000 HrmBnd1 H N3 CT 50.00 109.5000 HrmBnd1 H N3 H 35.00 109.5000 HrmBnd1 N3 CT HP 50.00 109.5000 HrmBnd1 H1 CT C 50.00 109.5000 HrmBnd1 H N CT 50.00 118.0401 HrmBnd1 N CT H1 50.00 109.5000 HrmBnd1 H N2 H 35.00 120.0001 HrmBnd1 CA N2 H 50.00 120.0001 HrmBnd1 H1 CT N2 50.00 109.5000 HrmBnd1 CT N2 H 50.00 118.4001 HrmBnd1 H1 CT SH 50.00 109.5000 HrmBnd1 CT SH HS 43.00 96.0000 HrmBnd1 HC CT C 50.00 109.5000 HrmBnd1 NB CV H4 50.00 120.0001 HrmBnd1 H5 CR NB 50.00 120.0001 HrmBnd1 H NA CR 50.00 120.0001 HrmBnd1 NA CR H5 50.00 120.0001 HrmBnd1 CC NA H 50.00 120.0001 HrmBnd1 CC CV H4 50.00 120.0001 HrmBnd1 HC CT CC 50.00 109.5000 HrmBnd1 HP CT HP 35.00 109.5000 HrmBnd1 H1 CT OH 50.00 109.5000 HrmBnd1 CT OH HO 55.00 108.5000 HrmBnd1 H N H 35.00 120.0001 HrmBnd1 HA CA CA 50.00 120.0001 HrmBnd1 HC CT CA 50.00 109.5000 HrmBnd1 C OH HO 50.00 113.0000 HrmBnd1 C CA HA 50.00 120.0001 HrmBnd1 HA CA CB 50.00 120.0001 HrmBnd1 CN CA HA 50.00 120.0001 HrmBnd1 H NA CN 50.00 123.1001 HrmBnd1 H4 CW NA 50.00 120.0001 HrmBnd1 CW NA H 50.00 120.0001 HrmBnd1 C* CW H4 50.00 120.0001 HrmBnd1 HC CT C* 50.00 109.5000 HrmBnd1 O C N 80.00 122.9001 HrmBnd1 C N CT 50.00 121.9001 HrmBnd1 CT S CT 62.00 98.9000 HrmBnd1 CT CT C 63.00 111.1000 HrmBnd1 CT CT S 50.00 114.7000 HrmBnd1 CT CT CT 40.00 109.5000 HrmBnd1 CT C O 80.00 120.4001 HrmBnd1 CT C N 70.00 116.6000 HrmBnd1 N3 CT CT 80.00 111.2000 HrmBnd1 N3 CT C 80.00 111.2000 HrmBnd1 N CT CT 80.00 109.7000 HrmBnd1 N CT C 63.00 110.1000 HrmBnd1 N2 CA N2 70.00 120.0001 HrmBnd1 CT N2 CA 50.00 123.2001 HrmBnd1 CT CT N2 80.00 111.2000 HrmBnd1 CT CT SH 50.00 108.6000 HrmBnd1 O2 C O2 80.00 126.0001 HrmBnd1 CT C O2 70.00 117.0001 HrmBnd1 CT N CT 50.00 118.0001 HrmBnd1 CR NB CV 70.00 117.0001 HrmBnd1 NA CC CV 70.00 120.0001 HrmBnd1 NA CR NB 70.00 120.0001 HrmBnd1 CC NA CR 70.00 120.0001 HrmBnd1 CC CV NB 70.00 120.0001 HrmBnd1 CT CC NA 70.00 120.0001 HrmBnd1 CT CC CV 70.00 120.0001 HrmBnd1 CT CT CC 63.00 113.1000 HrmBnd1 CT CT OH 50.00 109.5000 HrmBnd1 CA CA CA 63.00 120.0001 HrmBnd1 CT CA CA 70.00 120.0001 HrmBnd1 CT CT CA 63.00 114.0000 HrmBnd1 OH C CA 70.00 120.0001 HrmBnd1 C CA CA 63.00 120.0001 HrmBnd1 CA C CA 63.00 120.0001 HrmBnd1 CA CA CB 63.00 120.0001 HrmBnd1 CA CN CB 63.00 122.7001 HrmBnd1 CN CA CA 63.00 120.0001 HrmBnd1 CN CB CA 63.00 116.2000 HrmBnd1 NA CN CA 70.00 132.8001 HrmBnd1 NA CN CB 70.00 104.4000 HrmBnd1 CW C* CB 63.00 106.4000 HrmBnd1 CW NA CN 70.00 111.6000 HrmBnd1 C* CW NA 70.00 108.7000 HrmBnd1 C* CB CN 63.00 108.8000 HrmBnd1 C* CB CA 63.00 134.9001 HrmBnd1 CT C* CW 70.00 125.0001 HrmBnd1 CT C* CB 70.00 128.6001 HrmBnd1 CT CT C* 63.00 115.6000 HrmBnd1 S S CT 68.00 103.7000 AmbTrs CT CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs O2 C CT CT 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs O2 C CT N3 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N3 CT CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT C O 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT C N 0 0 0 0 0.200 0.200 0.400 0.000 1.0 AmbTrs CT C N CT 0 180 0 0 0.000 2.500 0.000 0.000 1.0 AmbTrs C N CT C 0 0 0 0 0.000 0.270 0.420 0.000 1.0 AmbTrs C N CT CT 0 0 0 0 2.000 2.000 0.400 0.000 1.0 AmbTrs N CT C N 180 180 180 0 0.450 1.580 0.550 0.000 1.0 AmbTrs N CT C O 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N CT CT S 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT S S 0 0 0 0 0.000 0.000 0.333 0.000 1.0 AmbTrs CT N C O 0 180 0 0 0.000 2.500 0.000 0.000 1.0 AmbTrs CT S S CT 0 0 0 0 0.000 3.500 0.600 0.000 1.0 AmbTrs S CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N CT C O2 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N CT CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT CT CT 180 180 0 0 0.200 0.250 0.180 0.000 1.0 AmbTrs CT N CT C 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT N CT CT 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs C CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N CT CT CC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT CC CV 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT CC NA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CC CV NB 0 180 0 0 0.000 5.150 0.000 0.000 1.0 AmbTrs CT CC NA CR 0 180 0 0 0.000 1.400 0.000 0.000 1.0 AmbTrs CC CV NB CR 0 180 0 0 0.000 2.400 0.000 0.000 1.0 AmbTrs CC NA CR NB 0 180 0 0 0.000 2.325 0.000 0.000 1.0 AmbTrs CC CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs NA CR NB CV 0 180 0 0 0.000 5.000 0.000 0.000 1.0 AmbTrs NA CC CV NB 0 180 0 0 0.000 5.150 0.000 0.000 1.0 AmbTrs CR NA CC CV 0 180 0 0 0.000 1.400 0.000 0.000 1.0 AmbTrs N CT CT CA 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT CA CA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CA CA CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CA CA CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N CT CT OH 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs OH CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT CT N2 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT N2 CA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT N2 CA N2 0 180 0 0 0.000 2.400 0.000 0.000 1.0 AmbTrs CA CA CA C 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CA C CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CA C OH 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs N CT CT C* 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT C* CB 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT C* CW 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT C* CB CA 0 180 0 0 0.000 1.675 0.000 0.000 1.0 AmbTrs CT C* CB CN 0 180 0 0 0.000 1.675 0.000 0.000 1.0 AmbTrs CT C* CW NA 0 180 0 0 0.000 6.525 0.000 0.000 1.0 AmbTrs C* CB CA CA 0 180 0 0 0.000 3.500 0.000 0.000 1.0 AmbTrs C* CB CN CA 0 180 0 0 0.000 3.000 0.000 0.000 1.0 AmbTrs C* CB CN NA 0 180 0 0 0.000 3.000 0.000 0.000 1.0 AmbTrs C* CW NA CN 0 180 0 0 0.000 1.500 0.000 0.000 1.0 AmbTrs C* CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CW NA CN CB 0 180 0 0 0.000 1.525 0.000 0.000 1.0 AmbTrs CW NA CN CA 0 180 0 0 0.000 1.525 0.000 0.000 1.0 AmbTrs CW C* CB CA 0 180 0 0 0.000 1.675 0.000 0.000 1.0 AmbTrs CW C* CB CN 0 180 0 0 0.000 1.675 0.000 0.000 1.0 AmbTrs NA CN CB CA 0 180 0 0 0.000 3.000 0.000 0.000 1.0 AmbTrs NA CN CA CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs NA CW C* CB 0 180 0 0 0.000 6.525 0.000 0.000 1.0 AmbTrs CN CB CA CA 0 180 0 0 0.000 3.500 0.000 0.000 1.0 AmbTrs CN CA CA CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CN CB CA 0 180 0 0 0.000 3.000 0.000 0.000 1.0 AmbTrs CA CA CA CB 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CA CN CB 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs N CT CT SH 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs SH CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N3 CT C N 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N3 CT C O 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT CT S 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT S CT 0 0 0 0 0.000 0.000 0.333 0.000 1.0 AmbTrs CT CT CT HC 0 0 0 0 0.000 0.000 0.160 0.000 1.0 AmbTrs C CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs C CT N3 H 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs O2 C CT HP 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N3 CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H N3 CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H N3 CT HP 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs HP CT CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs HP CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs HC CT CT HC 0 0 0 0 0.000 0.000 0.150 0.000 1.0 AmbTrs CT C N H 0 180 0 0 0.000 2.500 0.000 0.000 1.0 AmbTrs HC CT C O 0 0 180 0 0.800 0.000 0.080 0.000 1.0 AmbTrs HC CT C N 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs C N CT H1 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N CT CT H1 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT N H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs S S CT H1 0 0 0 0 0.000 0.000 0.333 0.000 1.0 AmbTrs S CT CT H1 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs C CT N H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs C CT CT H1 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N C CT H1 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs O2 C CT H1 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs H1 CT N H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs H N C O 0 180 0 0 2.000 2.500 0.000 0.000 1.0 AmbTrs O C CT H1 0 0 180 0 0.800 0.000 0.080 0.000 1.0 AmbTrs H1 CT CT H1 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H1 CT CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H1 CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT N CT H1 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs H1 CT CT CC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CC CV H4 0 180 0 0 0.000 5.150 0.000 0.000 1.0 AmbTrs CT CC NA H 0 180 0 0 0.000 1.400 0.000 0.000 1.0 AmbTrs HC CT CC CV 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HC CT CC NA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CC NA CR H5 0 180 0 0 0.000 2.325 0.000 0.000 1.0 AmbTrs NA CC CV H4 0 180 0 0 0.000 5.150 0.000 0.000 1.0 AmbTrs H NA CR NB 0 180 0 0 0.000 2.325 0.000 0.000 1.0 AmbTrs H NA CR H5 0 180 0 0 0.000 2.325 0.000 0.000 1.0 AmbTrs H NA CC CV 0 180 0 0 0.000 1.400 0.000 0.000 1.0 AmbTrs CR NB CV H4 0 180 0 0 0.000 2.400 0.000 0.000 1.0 AmbTrs H5 CR NB CV 0 180 0 0 0.000 5.000 0.000 0.000 1.0 AmbTrs H1 CT CT CA 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CA CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HC CT CA CA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CA CA CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HA CA CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HC CT C O2 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT OH HO 0 0 0 0 0.250 0.000 0.160 0.000 1.0 AmbTrs H1 CT CT OH 0 0 0 0 0.250 0.000 0.000 0.000 1.0 AmbTrs H1 CT OH HO 0 0 0 0 0.000 0.000 0.167 0.000 1.0 AmbTrs HC CT CT OH 0 0 0 0 0.250 0.000 0.000 0.000 1.0 AmbTrs CT CT N2 H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HC CT CT N2 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H1 CT N2 CA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs H1 CT N2 H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N2 CA N2 H 0 180 0 0 0.000 2.400 0.000 0.000 1.0 AmbTrs HA CA CA C 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA C CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA C OH HO 0 180 0 0 0.000 2.300 0.000 0.000 1.0 AmbTrs HA CA C OH 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs H1 CT CT C* 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT C* CW H4 0 180 0 0 0.000 6.525 0.000 0.000 1.0 AmbTrs HC CT C* CB 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HC CT C* CW 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs C* CB CA HA 0 180 0 0 0.000 3.500 0.000 0.000 1.0 AmbTrs C* CW NA H 0 180 0 0 0.000 1.500 0.000 0.000 1.0 AmbTrs H4 CW NA CN 0 180 0 0 0.000 1.500 0.000 0.000 1.0 AmbTrs H4 CW NA H 0 180 0 0 0.000 1.500 0.000 0.000 1.0 AmbTrs H4 CW C* CB 0 180 0 0 0.000 6.525 0.000 0.000 1.0 AmbTrs NA CN CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs H NA CN CB 0 180 0 0 0.000 1.525 0.000 0.000 1.0 AmbTrs H NA CN CA 0 180 0 0 0.000 1.525 0.000 0.000 1.0 AmbTrs CN CB CA HA 0 180 0 0 0.000 3.500 0.000 0.000 1.0 AmbTrs CN CA CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HA CA CN CB 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HA CA CA CB 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CT CT SH HS 0 0 0 0 0.000 0.000 0.250 0.000 1.0 AmbTrs H1 CT CT SH 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H1 CT SH HS 0 0 0 0 0.000 0.000 0.250 0.000 1.0 AmbTrs HP CT C N 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HP CT C O 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HC CT CT S 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT S CT H1 0 0 0 0 0.000 0.000 0.333 0.000 1.0 ImpTrs CT O2 C O2 10.5 180.0 2.0 ImpTrs CT N C O 10.5 180.0 2.0 ImpTrs C CT N CT 1.0 180.0 2.0 ImpTrs CT CV CC NA 1.1 180.0 2.0 ImpTrs CA CA CA CT 1.1 180.0 2.0 ImpTrs N2 N2 CA N2 10.5 180.0 2.0 ImpTrs CA CA C OH 1.1 180.0 2.0 ImpTrs CB CT C* CW 1.1 180.0 2.0 ImpTrs C CT N H 1.1 180.0 2.0 ImpTrs C H N H 1.0 180.0 2.0 ImpTrs CC CR NA H 1.0 180.0 2.0 ImpTrs NA NB CR H5 1.1 180.0 2.0 ImpTrs CC NB CV H4 1.1 180.0 2.0 ImpTrs CA CA CA HA 1.1 180.0 2.0 ImpTrs CT CA N2 H 1.0 180.0 2.0 ImpTrs CA H N2 H 1.0 180.0 2.0 ImpTrs CA C CA HA 1.1 180.0 2.0 ImpTrs C* NA CW H4 1.1 180.0 2.0 ImpTrs CW CN NA H 1.0 180.0 2.0 ImpTrs CN CA CA HA 1.1 180.0 2.0 ImpTrs CA CB CA HA 1.1 180.0 2.0 --Link1-- %mem=54GB %nprocshared=16 %chk=domain-ab-TS3.chk # oniom(mpwpw91/6-31g(d):amber=softfirst)=embedcharge iop(3/76=0594004060) nosymm freq=(noraman,savenormalmodes,modelmodes) geom=connectivity temperature=310 pressure=1.0 4_TSrot-Cys56.rtf -12 1 -1 1 -1 1 C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=47) 0 -13.579972 -6.972370 0.569674 H H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=47) 0 -12.940520 -7.574794 1.214246 H H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=47) 0 -13.827900 -6.092832 1.160361 H C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=47) 0 -14.878982 -7.725374 0.324684 H H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=47) 0 -15.572361 -7.124003 -0.275682 H H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=47) 0 -14.723457 -8.659607 -0.215526 H C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=47) 0 -15.617201 -8.024485 1.646639 H O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=47) 0 -16.094315 -9.174838 1.791357 H O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=47) 0 -15.688083 -7.096683 2.470635 H C-CT--0.027500(PDBName=CA,ResName=TRP,ResNum=52) 0 -24.892451 -13.829041 -3.414851 L H-H1-0.112300(PDBName=HA,ResName=TRP,ResNum=52) 0 -25.459271 -13.991347 -2.498094 L C-C-0.597300(PDBName=C,ResName=TRP,ResNum=52) 0 -23.772393 -14.891331 -3.435895 L O-O--0.567900(PDBName=O,ResName=TRP,ResNum=52) 0 -24.111016 -16.059654 -3.227658 L N-N--0.415700(PDBName=N,ResName=CYM,ResNum=53) 0 -22.488955 -14.544540 -3.666091 L H-HC 16 0.0000 H-H-0.271900(PDBName=H,ResName=CYM,ResNum=53) 0 -22.234967 -13.568862 -3.746561 L C-CT--0.035100(PDBName=CA,ResName=CYM,ResNum=53) 0 -21.425323 -15.529007 -3.902233 H H-H1-0.050800(PDBName=HA,ResName=CYM,ResNum=53) 0 -21.799517 -16.290403 -4.584452 H C-CT--0.241300(PDBName=CB,ResName=CYM,ResNum=53) 0 -20.244700 -14.845127 -4.586400 H H-H1-0.112200(PDBName=HB3,ResName=CYM,ResNum=53) 0 -19.924392 -13.945149 -4.063641 H H-H1-0.112200(PDBName=HB2,ResName=CYM,ResNum=53) 0 -20.485504 -14.569933 -5.612431 H S-SH--0.884400(PDBName=SG,ResName=CYM,ResNum=53) 0 -18.739319 -15.872580 -4.648222 H C-C-0.597300(PDBName=C,ResName=CYM,ResNum=53) 0 -21.055928 -16.143857 -2.577930 H O-O--0.567900(PDBName=O,ResName=CYM,ResNum=53) 0 -20.687100 -15.444980 -1.635255 H N-N--0.415700(PDBName=N,ResName=GLY,ResNum=54) 0 -21.103145 -17.481432 -2.488045 H H-H-0.271900(PDBName=H,ResName=GLY,ResNum=54) 0 -21.541665 -17.992212 -3.248894 H C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=54) 0 -20.830241 -18.168475 -1.250590 H H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=54) 0 -21.576321 -17.958601 -0.488084 H H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=54) 0 -20.844333 -19.239955 -1.446578 H C-C-0.597300(PDBName=C,ResName=GLY,ResNum=54) 0 -19.477936 -17.816582 -0.661890 H O-O--0.567900(PDBName=O,ResName=GLY,ResNum=54) 0 -19.299370 -17.762983 0.546383 H N-N--0.415700(PDBName=N,ResName=HID,ResNum=55) 0 -18.512822 -17.595682 -1.558480 H H-H-0.271900(PDBName=H,ResName=HID,ResNum=55) 0 -18.747514 -17.626567 -2.539167 H C-CT-0.018800(PDBName=CA,ResName=HID,ResNum=55) 0 -17.154479 -17.294968 -1.199311 H H-H1-0.088100(PDBName=HA,ResName=HID,ResNum=55) 0 -16.838310 -17.965058 -0.400795 H C-CT--0.046200(PDBName=CB,ResName=HID,ResNum=55) 0 -16.275479 -17.502499 -2.443571 H H-HC-0.040200(PDBName=HB2,ResName=HID,ResNum=55) 0 -16.635369 -16.850192 -3.238251 H H-HC-0.040200(PDBName=HB3,ResName=HID,ResNum=55) 0 -15.262372 -17.183212 -2.229454 H C-CC--0.026600(PDBName=CG,ResName=HID,ResNum=55) 0 -16.294196 -18.912336 -2.916999 H N-NA--0.381100(PDBName=ND1,ResName=HID,ResNum=55) 0 -15.435495 -19.879758 -2.452414 H H-H-0.364900(PDBName=HD1,ResName=HID,ResNum=55) 0 -14.519968 -19.726249 -2.048174 H C-CR-0.205700(PDBName=CE1,ResName=HID,ResNum=55) 0 -15.774492 -21.039872 -3.041360 H H-H5-0.139200(PDBName=HE1,ResName=HID,ResNum=55) 0 -15.227370 -21.952729 -2.889233 H N-NB--0.572700(PDBName=NE2,ResName=HID,ResNum=55) 0 -16.824597 -20.902601 -3.810365 H C-CV-0.129200(PDBName=CD2,ResName=HID,ResNum=55) 0 -17.146769 -19.574197 -3.752379 H H-H4-0.114700(PDBName=HD2,ResName=HID,ResNum=55) 0 -17.950491 -19.169620 -4.344188 H C-C-0.597300(PDBName=C,ResName=HID,ResNum=55) 0 -17.004756 -15.887716 -0.621266 H O-O--0.567900(PDBName=O,ResName=HID,ResNum=55) 0 -16.168504 -15.643340 0.238484 H N-N--0.415700(PDBName=N,ResName=CYS,ResNum=56) 0 -17.829596 -14.953196 -1.120043 H H-H-0.271900(PDBName=H,ResName=CYS,ResNum=56) 0 -18.600856 -15.260099 -1.693340 H C-CT-0.021300(PDBName=CA,ResName=CYS,ResNum=56) 0 -17.897809 -13.628244 -0.543682 H H-H1-0.112400(PDBName=HA,ResName=CYS,ResNum=56) 0 -16.900940 -13.217345 -0.407822 H C-CT--0.123100(PDBName=CB,ResName=CYS,ResNum=56) 0 -18.704802 -12.672973 -1.405355 H H-H1-0.111200(PDBName=HB2,ResName=CYS,ResNum=56) 0 -19.726010 -13.015997 -1.545479 H H-H1-0.111200(PDBName=HB3,ResName=CYS,ResNum=56) 0 -18.670161 -11.711695 -0.896778 H S-SH--0.311900(PDBName=SG,ResName=CYS,ResNum=56) 0 -17.958548 -12.382961 -3.032107 H H-HS-0.193300(PDBName=HG,ResName=CYS,ResNum=56) 0 -17.182588 -13.467853 -3.112661 H C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=120) 0 -11.784751 -15.742344 1.409761 H H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=120) 0 -12.143407 -16.766110 1.495456 H H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=120) 0 -12.545092 -15.067323 1.794200 H N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=120) 0 -11.469017 -15.433841 0.036510 H H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=120) 0 -10.573892 -15.013987 -0.177993 H C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=120) 0 -12.066210 -16.029222 -0.985721 H N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=120) 0 -13.182194 -16.727271 -0.806876 H H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=120) 0 -13.801772 -16.559624 -0.035364 H H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=120) 0 -13.442045 -17.341888 -1.574366 H N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=120) 0 -11.562919 -15.920532 -2.205060 H H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=120) 0 -10.612478 -15.610657 -2.329886 H H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=120) 0 -12.026737 -16.373474 -2.980720 H C-CT-0.090430(PDBName=C1,ResName=GDS,ResNum=238) 0 -11.892492 -19.242898 -4.776196 H C-C-0.795436(PDBName=C15,ResName=GDS,ResNum=238) 0 -12.584557 -19.128300 -3.419177 H O-O2--0.768529(PDBName=O1,ResName=GDS,ResNum=238) 0 -12.602772 -20.131668 -2.677166 H O-O2--0.768529(PDBName=O2,ResName=GDS,ResNum=238) 0 -13.128285 -18.032750 -3.184818 H N-N3--0.516764(PDBName=N1,ResName=GDS,ResNum=238) 0 -10.986959 -20.424375 -4.748493 H H-H-0.336685(PDBName=H21,ResName=GDS,ResNum=238) 0 -11.505360 -21.299032 -4.679987 H H-H-0.336685(PDBName=H22,ResName=GDS,ResNum=238) 0 -10.360407 -20.380437 -3.933811 H H-H-0.336685(PDBName=H25,ResName=GDS,ResNum=238) 0 -10.404335 -20.491816 -5.592348 H H-HP-0.075961(PDBName=H5,ResName=GDS,ResNum=238) 0 -11.253283 -18.376210 -4.926167 H C-CT-0.021774(PDBName=C7,ResName=GDS,ResNum=238) 0 -12.905397 -19.358952 -5.919600 H H-HC-0.040870(PDBName=H9,ResName=GDS,ResNum=238) 0 -13.638507 -20.129914 -5.675139 H H-HC-0.040870(PDBName=H10,ResName=GDS,ResNum=238) 0 -12.391198 -19.683601 -6.824476 H C-CT--0.669382(PDBName=C11,ResName=GDS,ResNum=238) 0 -13.604983 -18.028306 -6.180115 H H-HC-0.225501(PDBName=H17,ResName=GDS,ResNum=238) 0 -13.972459 -17.599124 -5.252553 H H-HC-0.225501(PDBName=H18,ResName=GDS,ResNum=238) 0 -12.884257 -17.325698 -6.602513 H C-C-1.051032(PDBName=C13,ResName=GDS,ResNum=238) 0 -14.715618 -18.120110 -7.195899 H N-N--0.847389(PDBName=N2,ResName=GDS,ResNum=238) 0 -15.760074 -17.289796 -7.006647 H C-CT-0.125808(PDBName=C2,ResName=GDS,ResNum=238) 0 -16.730354 -17.144921 -8.058512 H C-CT--0.228215(PDBName=C8,ResName=GDS,ResNum=238) 0 -17.988274 -16.404347 -7.611421 H S-S--0.127891(PDBName=S1,ResName=GDS,ResNum=238) 0 -18.927888 -17.186699 -6.243880 H S-S--0.127891(PDBName=S2,ResName=GDS,ResNum=238) 0 -19.125841 -19.328628 -9.159646 H C-CT--0.228215(PDBName=C9,ResName=GDS,ResNum=238) 0 -20.514002 -19.046067 -10.271336 H C-CT-0.125808(PDBName=C5,ResName=GDS,ResNum=238) 0 -21.873223 -18.944751 -9.567903 H C-C-0.499365(PDBName=C19,ResName=GDS,ResNum=238) 0 -22.903152 -18.800662 -10.673431 H N-N--0.214693(PDBName=N4,ResName=GDS,ResNum=238) 0 -23.441411 -17.570844 -10.806210 H C-CT--0.457591(PDBName=C4,ResName=GDS,ResNum=238) 0 -24.463758 -17.182160 -11.728511 H H-H1-0.143996(PDBName=H3,ResName=GDS,ResNum=238) 0 -25.370518 -17.771170 -11.665201 H H-H1-0.143996(PDBName=H4,ResName=GDS,ResNum=238) 0 -24.146325 -17.129114 -12.764789 H H-H-0.267948(PDBName=H30,ResName=GDS,ResNum=238) 0 -23.283933 -16.854833 -10.125581 H O-O--0.591564(PDBName=O11,ResName=GDS,ResNum=238) 0 -23.166205 -19.701712 -11.455375 H N-N--0.847389(PDBName=N5,ResName=GDS,ResNum=238) 0 -22.216966 -20.066169 -8.743770 H C-C-1.051032(PDBName=C14,ResName=GDS,ResNum=238) 0 -22.854580 -19.925825 -7.579879 H C-CT--0.669382(PDBName=C12,ResName=GDS,ResNum=238) 0 -23.355684 -21.236508 -7.002486 H H-HC-0.225501(PDBName=H19,ResName=GDS,ResNum=238) 0 -22.515765 -21.852164 -6.696861 H H-HC-0.225501(PDBName=H20,ResName=GDS,ResNum=238) 0 -23.877684 -21.750343 -7.811241 H O-O--0.715130(PDBName=O12,ResName=GDS,ResNum=238) 0 -22.999383 -18.850840 -6.983587 H H-H-0.433401(PDBName=H28,ResName=GDS,ResNum=238) 0 -22.132693 -20.996921 -9.160701 H H-H1-0.041154(PDBName=H7,ResName=GDS,ResNum=238) 0 -21.869631 -18.068318 -8.930353 H H-H1-0.190294(PDBName=H13,ResName=GDS,ResNum=238) 0 -20.588014 -19.823677 -11.030396 H H-H1-0.190294(PDBName=H14,ResName=GDS,ResNum=238) 0 -20.415569 -18.099357 -10.826668 H H-H1-0.190294(PDBName=H11,ResName=GDS,ResNum=238) 0 -18.679728 -16.392151 -8.450386 H H-H1-0.190294(PDBName=H12,ResName=GDS,ResNum=238) 0 -17.782707 -15.380601 -7.318120 H C-C-0.499365(PDBName=C16,ResName=GDS,ResNum=238) 0 -16.072601 -16.380954 -9.225008 H O-O--0.591564(PDBName=O10,ResName=GDS,ResNum=238) 0 -15.189623 -15.567131 -8.992874 H N-N--0.214693(PDBName=N3,ResName=GDS,ResNum=238) 0 -16.478152 -16.647857 -10.472046 H C-CT--0.457591(PDBName=C3,ResName=GDS,ResNum=238) 0 -15.867724 -15.972579 -11.629245 L H-H 113 0.0000 C-C-1.004947(PDBName=C17,ResName=GDS,ResNum=238) 0 -16.820231 -15.006971 -12.311629 L O-O2--0.856478(PDBName=O3,ResName=GDS,ResNum=238) 0 -17.956565 -15.446761 -12.602588 L O-O2--0.856478(PDBName=O4,ResName=GDS,ResNum=238) 0 -16.444106 -13.836392 -12.560143 L H-H1-0.143996(PDBName=H1,ResName=GDS,ResNum=238) 0 -15.584378 -16.709084 -12.376949 L H-H1-0.143996(PDBName=H2,ResName=GDS,ResNum=238) 0 -14.990329 -15.398155 -11.352272 L H-H-0.267948(PDBName=H29,ResName=GDS,ResNum=238) 0 -17.044889 -17.461707 -10.724377 H H-H1-0.041154(PDBName=H6,ResName=GDS,ResNum=238) 0 -17.026192 -18.131707 -8.404955 H H-H-0.433401(PDBName=H27,ResName=GDS,ResNum=238) 0 -15.654673 -16.521054 -6.357090 H O-O--0.715130(PDBName=O9,ResName=GDS,ResNum=238) 0 -14.658029 -18.879524 -8.151812 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=252) 0 -17.217525 -19.048705 -11.731271 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=252) 0 -18.013845 -19.007552 -12.310712 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=252) 0 -17.635052 -19.407906 -10.917581 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=254) 0 -16.393325 -23.627569 -4.726672 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=254) 0 -16.744331 -22.728559 -4.671467 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=254) 0 -16.452706 -23.860795 -5.653905 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=256) 0 -20.032654 -14.059665 -7.841843 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=256) 0 -19.698545 -14.333553 -8.716874 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=256) 0 -20.985924 -14.139302 -7.984645 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=268) 0 -22.990312 -18.409720 -4.338327 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=268) 0 -22.932754 -18.621363 -5.313028 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=268) 0 -23.702813 -17.741174 -4.372502 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=373) 0 -16.975760 -10.978459 0.197412 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=373) 0 -16.566541 -10.164657 0.599055 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=373) 0 -17.247434 -11.440197 0.992194 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=800) 0 413.704602 -10.263066 -29.107764 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=800) 0 413.437362 -11.174252 -29.228489 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=800) 0 412.883251 -9.786675 -28.986529 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1001) 0 -19.478174 -15.078750 -10.410874 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1001) 0 -20.375160 -15.173202 -10.837777 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1001) 0 -18.934720 -15.302774 -11.211106 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1076) 0 -13.611322 -19.611273 -11.824995 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1076) 0 -13.282831 -18.809468 -12.270814 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1076) 0 -14.482258 -19.380967 -11.489317 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1088) 0 -19.310388 -22.663979 -9.301989 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1088) 0 -19.170484 -21.708166 -9.169471 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1088) 0 -20.101036 -22.684658 -9.857806 H C-C-0.597300(PDBName=C,ResName=CYS,ResNum=56) 0 -18.536971 -13.687314 0.840174 H O-O--0.567900(PDBName=O,ResName=CYS,ResNum=56) 0 -18.153184 -13.015470 1.779830 H N-N--0.347900(PDBName=N,ResName=LYS,ResNum=57) 0 -19.564180 -14.549485 0.951790 H H-H-0.274700(PDBName=H,ResName=LYS,ResNum=57) 0 -19.929831 -15.062999 0.162111 H C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=81) 0 -18.865664 -4.065459 3.213441 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=81) 0 -19.359997 -4.767609 2.540236 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=81) 0 -18.352988 -4.619490 4.000870 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=81) 0 -19.891576 -3.114383 3.838475 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=81) 0 -19.411774 -2.578421 4.663209 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=81) 0 -20.178673 -2.380594 3.079839 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=81) 0 -21.117376 -3.788217 4.322902 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=81) 0 -21.776343 -3.078283 4.643264 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=81) 0 -21.582300 -4.276069 3.570212 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=81) 0 -20.948905 -4.414521 5.104223 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=241) 0 -20.588583 -2.499668 -0.205378 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=241) 0 -20.100850 -1.822714 -0.718252 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=241) 0 -21.505203 -2.287666 -0.448651 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=247) 0 -12.178303 -19.375429 -9.364525 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=247) 0 -13.030853 -19.253461 -8.923791 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=247) 0 -12.445478 -19.622644 -10.262063 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=290) 0 -24.540350 -22.045876 -10.567861 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=290) 0 -25.084090 -21.421936 -10.039550 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=290) 0 -24.099548 -21.429153 -11.169993 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=300) 0 -20.527955 -23.690537 -4.668442 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=300) 0 -21.451223 -23.379467 -4.578444 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=300) 0 -20.006020 -23.284138 -3.964929 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=510) 0 -19.111843 -22.296812 -2.595311 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=510) 0 -18.465536 -22.545819 -1.910895 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=510) 0 -18.561818 -21.795222 -3.213742 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=702) 0 -21.728710 -17.732189 -13.404628 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=702) 0 -22.414467 -18.301156 -13.035773 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=702) 0 -21.791450 -16.943367 -12.837076 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=714) 0 -19.379809 -19.284190 -13.384044 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=714) 0 -20.170289 -18.726321 -13.270511 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=714) 0 -18.981665 -18.957082 -14.209657 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=928) 0 -22.082292 -22.748900 -9.584095 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=928) 0 -23.003054 -22.753905 -9.902745 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=928) 0 -22.013857 -23.244254 -8.756547 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1135) 0 -17.423660 -7.015229 4.633232 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1135) 0 -16.838036 -7.119767 3.850824 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1135) 0 -17.118467 -7.686264 5.247429 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1274) 0 -26.601868 -6.520584 21.079119 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1274) 0 -26.834307 -7.266601 20.517347 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1274) 0 -25.756249 -6.228627 20.666572 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1283) 0 -20.832446 -23.893619 -7.374105 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1283) 0 -20.506949 -23.724096 -6.475343 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1283) 0 -20.152717 -23.528858 -7.976772 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=249) 0 -12.213451 -15.289210 -5.137626 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=249) 0 -13.174325 -15.299238 -5.285160 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=249) 0 -12.075744 -14.351807 -4.880879 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=265) 0 -24.294945 -18.773119 -1.828503 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=265) 0 -23.710997 -18.817441 -2.609165 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=265) 0 -23.902782 -19.467564 -1.259328 L N-N3-0.159200(PDBName=N,ResName=MET,ResNum=1) 0 -13.513477 23.403247 -13.168013 L H-H-0.198400(PDBName=H1,ResName=MET,ResNum=1) 0 -13.997347 22.535845 -13.356908 L H-H-0.198400(PDBName=H2,ResName=MET,ResNum=1) 0 -12.563063 23.186837 -12.888971 L H-H-0.198400(PDBName=H3,ResName=MET,ResNum=1) 0 -13.464885 23.935216 -14.028634 L C-CT-0.022100(PDBName=CA,ResName=MET,ResNum=1) 0 -14.221082 24.162270 -12.121465 L H-HP-0.111600(PDBName=HA,ResName=MET,ResNum=1) 0 -13.734879 25.130925 -12.007143 L C-CT-0.086500(PDBName=CB,ResName=MET,ResNum=1) 0 -15.684276 24.396617 -12.531102 L H-HC-0.012500(PDBName=HB2,ResName=MET,ResNum=1) 0 -15.705089 24.823671 -13.534284 L H-HC-0.012500(PDBName=HB3,ResName=MET,ResNum=1) 0 -16.210992 23.443876 -12.557464 L C-CT-0.033400(PDBName=CG,ResName=MET,ResNum=1) 0 -16.434128 25.349050 -11.595741 L H-H1-0.029200(PDBName=HG2,ResName=MET,ResNum=1) 0 -16.356439 24.987957 -10.569864 L H-H1-0.029200(PDBName=HG3,ResName=MET,ResNum=1) 0 -15.966583 26.332232 -11.658337 L S-S--0.277400(PDBName=SD,ResName=MET,ResNum=1) 0 -18.192483 25.517330 -12.001217 L C-CT--0.034100(PDBName=CE,ResName=MET,ResNum=1) 0 -18.628673 26.947868 -10.979559 L H-H1-0.059700(PDBName=HE1,ResName=MET,ResNum=1) 0 -17.987629 27.793978 -11.230270 L H-H1-0.059700(PDBName=HE2,ResName=MET,ResNum=1) 0 -19.670541 27.218655 -11.152410 L H-H1-0.059700(PDBName=HE3,ResName=MET,ResNum=1) 0 -18.500214 26.695502 -9.928802 L C-C-0.612300(PDBName=C,ResName=MET,ResNum=1) 0 -14.084169 23.407853 -10.806107 L O-O--0.571300(PDBName=O,ResName=MET,ResNum=1) 0 -14.913014 22.557292 -10.474720 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=2) 0 -12.993952 23.663663 -10.085258 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=2) 0 -12.393168 24.430157 -10.379205 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=2) 0 -12.618218 22.936824 -8.876320 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=2) 0 -12.987933 21.916769 -8.968643 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=2) 0 -11.079620 22.872734 -8.796295 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=2) 0 -10.710672 22.343158 -9.675206 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=2) 0 -10.676813 23.886894 -8.821595 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=2) 0 -10.541312 22.169077 -7.536156 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=2) 0 -10.757092 22.773590 -6.657109 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=2) 0 -11.153667 20.788247 -7.334865 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=2) 0 -10.943714 20.152632 -8.194982 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=2) 0 -10.725163 20.338582 -6.442996 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=2) 0 -12.225408 20.857918 -7.175715 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=2) 0 -9.030055 22.013840 -7.638087 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=2) 0 -8.580589 22.996766 -7.751432 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=2) 0 -8.645004 21.553218 -6.727788 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=2) 0 -8.769195 21.388780 -8.492135 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=2) 0 -13.275921 23.551617 -7.634982 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=2) 0 -12.685205 24.405202 -6.968653 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=3) 0 -14.507248 23.131580 -7.322961 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=3) 0 -14.967876 22.474992 -7.942548 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=3) 0 -15.229856 23.564562 -6.115827 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=3) 0 -14.515034 23.558187 -5.293872 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=3) 0 -15.722466 25.011142 -6.323983 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=3) 0 -15.237479 25.442077 -7.197832 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=3) 0 -16.792980 25.034971 -6.509109 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=3) 0 -15.370036 25.890411 -5.119810 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=3) 0 -15.990245 25.602266 -4.274366 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=3) 0 -14.319922 25.750962 -4.858183 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=3) 0 -15.589332 27.369169 -5.444971 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=3) 0 -14.946928 27.631947 -6.285193 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=3) 0 -16.625167 27.534653 -5.741016 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=3) 0 -15.254248 28.229688 -4.301955 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=3) 0 -14.374144 28.726870 -4.325254 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=3) 0 -15.963449 28.386485 -3.203571 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=3) 0 -17.120646 27.827747 -3.015491 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=3) 0 -17.536554 27.254876 -3.740492 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=3) 0 -17.577236 27.958270 -2.132002 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=3) 0 -15.495638 29.111804 -2.240074 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=3) 0 -14.598236 29.561909 -2.361332 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=3) 0 -15.959983 29.121278 -1.341413 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=3) 0 -16.348590 22.594300 -5.712191 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=3) 0 -16.706771 21.713160 -6.489695 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=4) 0 -16.814807 22.720831 -4.464709 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=4) 0 -16.405828 23.477521 -3.925651 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=4) 0 -17.753690 21.870077 -3.702399 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=4) 0 -17.340300 21.855163 -2.694374 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=4) 0 -19.141552 22.513047 -3.559354 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=4) 0 -19.033312 23.579431 -3.354290 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=4) 0 -19.709687 22.390841 -4.476834 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=4) 0 -19.902359 21.862342 -2.396990 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=4) 0 -19.891993 20.776607 -2.499532 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=4) 0 -19.412546 22.128804 -1.460668 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=4) 0 -21.358356 22.319633 -2.370283 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=4) 0 -21.401643 23.407814 -2.292969 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=4) 0 -21.824045 22.006414 -3.305016 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=4) 0 -22.068411 21.709852 -1.236948 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=4) 0 -21.501134 21.366233 -0.467713 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=4) 0 -23.371058 21.595975 -1.088728 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=4) 0 -24.220293 22.055212 -1.957026 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=4) 0 -23.892992 22.490637 -2.814746 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=4) 0 -25.208187 21.949809 -1.773645 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=4) 0 -23.872383 21.002212 -0.050388 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=4) 0 -23.282394 20.551713 0.641250 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=4) 0 -24.878954 20.911505 -0.016090 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=4) 0 -17.792057 20.389506 -4.087474 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=4) 0 -17.082472 19.611797 -3.460823 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=5) 0 -18.593629 19.988142 -5.076088 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=5) 0 -19.115273 20.688693 -5.592122 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=5) 0 -18.722584 18.588679 -5.501999 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=5) 0 -18.843585 17.978716 -4.604501 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=5) 0 -20.003788 18.445290 -6.333651 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=5) 0 -19.903280 18.995174 -7.269141 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=5) 0 -20.181830 17.392670 -6.557978 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=5) 0 -20.856847 18.832733 -5.775361 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=5) 0 -17.476804 18.029331 -6.229862 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=5) 0 -17.512746 16.902844 -6.730068 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=6) 0 -16.392136 18.806687 -6.303907 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=6) 0 -16.497329 19.769088 -6.013539 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=6) 0 -15.075320 18.390885 -6.785837 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=6) 0 -15.089853 17.309421 -6.925586 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=6) 0 -14.831923 19.087147 -8.140825 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=6) 0 -15.785804 19.290345 -8.631943 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=6) 0 -14.354810 20.049092 -7.955262 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=6) 0 -13.968437 18.256414 -9.104200 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=6) 0 -13.102767 17.843026 -8.589386 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=6) 0 -14.787090 17.117646 -9.705631 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=6) 0 -15.657599 17.515530 -10.220571 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=6) 0 -14.175427 16.561209 -10.410919 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=6) 0 -15.119777 16.438394 -8.923221 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=6) 0 -13.473543 19.137743 -10.247118 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=6) 0 -12.785329 19.881945 -9.854763 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=6) 0 -12.943476 18.523442 -10.973693 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=6) 0 -14.310898 19.636257 -10.731845 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=6) 0 -13.933147 18.678828 -5.786469 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=6) 0 -12.770832 18.419781 -6.106101 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=7) 0 -14.210830 19.232126 -4.598090 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=7) 0 -15.176951 19.238943 -4.286410 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=7) 0 -13.196914 19.828478 -3.715116 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=7) 0 -12.208511 19.474009 -4.012009 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=7) 0 -13.240373 21.356242 -3.919723 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=7) 0 -13.040580 21.572334 -4.969380 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=7) 0 -14.248412 21.699911 -3.686976 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=7) 0 -12.254301 22.161861 -3.053224 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=7) 0 -12.467352 21.997808 -1.997191 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=7) 0 -10.803059 21.783299 -3.333047 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=7) 0 -10.580350 21.873123 -4.395172 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=7) 0 -10.146227 22.445821 -2.776617 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=7) 0 -10.605019 20.762978 -3.007551 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=7) 0 -12.418960 23.653022 -3.343107 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=7) 0 -13.441965 23.960028 -3.132179 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=7) 0 -11.748421 24.227113 -2.703385 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=7) 0 -12.180418 23.857884 -4.384778 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=7) 0 -13.386727 19.468506 -2.233078 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=7) 0 -14.373634 19.869089 -1.612108 L N-N--0.415700(PDBName=N,ResName=CYS,ResNum=8) 0 -12.377522 18.836396 -1.630696 L H-H-0.271900(PDBName=H,ResName=CYS,ResNum=8) 0 -11.593513 18.525063 -2.195421 L C-CT-0.021300(PDBName=CA,ResName=CYS,ResNum=8) 0 -12.280659 18.680861 -0.180133 L H-H1-0.112400(PDBName=HA,ResName=CYS,ResNum=8) 0 -13.229058 18.289620 0.193431 L C-CT--0.123100(PDBName=CB,ResName=CYS,ResNum=8) 0 -11.178364 17.671342 0.150101 L H-H1-0.111200(PDBName=HB2,ResName=CYS,ResNum=8) 0 -11.283726 16.797720 -0.487489 L H-H1-0.111200(PDBName=HB3,ResName=CYS,ResNum=8) 0 -10.195355 18.111363 -0.025247 L S-SH--0.311900(PDBName=SG,ResName=CYS,ResNum=8) 0 -11.333879 17.180407 1.890519 L H-HS-0.193300(PDBName=HG,ResName=CYS,ResNum=8) 0 -12.416394 16.401456 1.723746 L C-C-0.597300(PDBName=C,ResName=CYS,ResNum=8) 0 -12.004245 20.039338 0.481321 L O-O--0.567900(PDBName=O,ResName=CYS,ResNum=8) 0 -10.876321 20.537127 0.470136 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=9) 0 -13.037077 20.661119 1.044283 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=9) 0 -13.940379 20.203393 1.032614 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=9) 0 -12.957981 21.984014 1.659215 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=9) 0 -12.133698 22.526785 1.196647 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=9) 0 -14.276163 22.715091 1.356443 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=9) 0 -14.632881 22.437263 0.362770 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=9) 0 -15.023706 22.389216 2.079562 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=9) 0 -14.146391 24.239669 1.412797 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=9) 0 -13.604621 24.520508 2.312424 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=9) 0 -13.422008 24.789279 0.180033 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=9) 0 -13.972990 24.559120 -0.725348 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=9) 0 -13.316664 25.868630 0.261224 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=9) 0 -12.427892 24.356214 0.091396 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=9) 0 -15.537528 24.856520 1.483958 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=9) 0 -16.002938 24.575814 2.427646 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=9) 0 -15.459515 25.939001 1.439642 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=9) 0 -16.152833 24.499322 0.661632 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=9) 0 -12.662919 21.878338 3.164647 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=9) 0 -13.090734 20.914937 3.802462 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=10) 0 -11.960748 22.859300 3.739343 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=10) 0 -11.648107 23.632403 3.163649 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=10) 0 -11.597646 22.894280 5.160600 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=10) 0 -11.294622 21.894836 5.473636 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=10) 0 -10.387569 23.826496 5.321047 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=10) 0 -10.651062 24.843846 5.029374 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=10) 0 -10.062849 23.824540 6.362231 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=10) 0 -9.564606 23.480084 4.695557 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=10) 0 -12.799178 23.319938 6.028167 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=10) 0 -13.010212 24.513180 6.267730 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=11) 0 -13.658914 22.368270 6.409119 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=11) 0 -13.431182 21.402787 6.182797 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=11) 0 -15.015677 22.659141 6.916097 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=11) 0 -14.954001 23.529708 7.568819 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=11) 0 -15.884005 23.039573 5.688831 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=11) 0 -15.246406 23.575105 4.983843 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=11) 0 -16.432746 21.835633 4.919770 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=11) 0 -17.335867 21.440455 5.381183 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=11) 0 -16.660620 22.137816 3.902971 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=11) 0 -15.678852 21.050139 4.877071 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=11) 0 -16.989387 24.039999 6.035801 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=11) 0 -16.559618 24.898678 6.552357 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=11) 0 -17.449744 24.394342 5.116416 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=11) 0 -17.757350 23.592676 6.658817 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=11) 0 -15.583028 21.502626 7.771170 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=11) 0 -14.818817 20.668584 8.262900 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=12) 0 -16.902763 21.466115 7.992311 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=12) 0 -17.460709 22.216701 7.618719 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=12) 0 -17.634799 20.343007 8.583458 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=12) 0 -17.000990 19.454146 8.579334 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=12) 0 -17.952892 20.685840 10.045482 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=12) 0 -18.562323 21.588949 10.100015 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=12) 0 -18.497423 19.858527 10.502554 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=12) 0 -17.024822 20.840624 10.597349 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=12) 0 -18.896218 20.005398 7.754787 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=12) 0 -19.988776 20.526841 8.001862 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=13) 0 -18.744679 19.157416 6.739417 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=13) 0 -17.804057 18.813547 6.558443 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=13) 0 -19.814293 18.593130 5.910961 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=13) 0 -20.781325 18.911508 6.297434 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=13) 0 -19.669537 19.140686 4.485151 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=13) 0 -18.702357 18.849617 4.070542 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=13) 0 -20.460127 18.740146 3.849737 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=13) 0 -19.739827 20.228772 4.496928 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=13) 0 -19.785950 17.052015 5.954947 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=13) 0 -18.735279 16.469295 6.234077 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=14) 0 -20.923460 16.399278 5.681972 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=14) 0 -21.735400 16.967688 5.482874 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=14) 0 -21.132823 14.939261 5.714964 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=14) 0 -22.209788 14.783562 5.639272 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=14) 0 -20.545807 14.317371 4.430258 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=14) 0 -21.121365 14.705302 3.588184 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=14) 0 -19.529753 14.678932 4.305833 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=14) 0 -20.508946 12.781596 4.321171 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=14) 0 -19.841910 12.376763 5.077513 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=14) 0 -21.878486 12.133864 4.499960 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=14) 0 -22.553604 12.474551 3.720161 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=14) 0 -21.778087 11.050300 4.428944 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=14) 0 -22.289076 12.372235 5.479969 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=14) 0 -19.958156 12.411886 2.942813 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=14) 0 -18.932382 12.767536 2.847254 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=14) 0 -19.966722 11.332364 2.814437 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=14) 0 -20.564318 12.862272 2.160685 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=14) 0 -20.749218 14.290151 7.066638 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=14) 0 -21.615616 14.174386 7.935851 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=15) 0 -19.486187 13.919165 7.280733 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=15) 0 -18.827858 14.081357 6.526000 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=15) 0 -18.927001 13.437987 8.563701 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=15) 0 -19.453807 13.930633 9.381605 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=15) 0 -19.138541 11.912891 8.705453 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=15) 0 -20.191579 11.707096 8.516307 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=15) 0 -18.316070 11.080563 7.715533 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=15) 0 -17.252554 11.231631 7.890150 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=15) 0 -18.540297 10.021753 7.847621 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=15) 0 -18.558965 11.359866 6.693331 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=15) 0 -18.837924 11.422239 10.122393 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=15) 0 -19.448676 11.971748 10.834104 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=15) 0 -19.082165 10.362968 10.201089 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=15) 0 -17.785760 11.552123 10.368561 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=15) 0 -17.444270 13.821453 8.669708 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=15) 0 -16.784800 13.960908 7.636679 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=16) 0 -16.884035 14.002471 9.872679 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=16) 0 -17.462687 13.899523 10.701530 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=16) 0 -15.438400 14.249705 10.046961 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=16) 0 -15.174840 15.142803 9.481842 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=16) 0 -15.116548 14.497560 11.530999 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=16) 0 -15.821932 15.216566 11.941962 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=16) 0 -15.249379 13.560731 12.072018 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=16) 0 -13.693339 15.038832 11.769970 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=16) 0 -12.982723 14.599719 11.077216 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=16) 0 -13.687048 16.120196 11.628168 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=16) 0 -13.224484 14.693739 13.182474 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=16) 0 -13.880941 15.183788 13.898236 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=16) 0 -13.306331 13.616103 13.331576 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=16) 0 -11.838133 15.117453 13.435586 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=16) 0 -11.710741 15.898958 14.067699 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=16) 0 -10.742853 14.443187 13.142596 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=16) 0 -10.730383 13.343270 12.452657 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=16) 0 -11.593214 12.901186 12.153634 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=16) 0 -9.869146 12.821489 12.406522 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=16) 0 -9.582523 14.847892 13.556985 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=16) 0 -9.511568 15.597641 14.230738 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=16) 0 -8.806683 14.212729 13.424956 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=16) 0 -14.603546 13.073390 9.520170 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=16) 0 -14.967234 11.916806 9.732957 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=17) 0 -13.442860 13.372408 8.934700 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=17) 0 -13.234115 14.349857 8.772442 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=17) 0 -12.389595 12.403855 8.629998 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=17) 0 -12.759891 11.750024 7.845059 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=17) 0 -11.176730 13.171021 8.092880 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=17) 0 -10.772971 13.826011 8.866420 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=17) 0 -10.399832 12.475216 7.772885 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=17) 0 -11.477728 13.771637 7.235754 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=17) 0 -12.016238 11.496796 9.821999 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=17) 0 -12.420974 11.738317 10.959547 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=18) 0 -11.276365 10.422839 9.539392 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=18) 0 -10.946707 10.349172 8.586509 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=18) 0 -11.233879 9.160341 10.299609 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=18) 0 -10.502228 8.538985 9.783603 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=18) 0 -10.682275 9.336585 11.724235 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=18) 0 -9.723042 9.852108 11.674152 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=18) 0 -11.363318 9.941522 12.320828 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=18) 0 -10.494555 7.984451 12.415350 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=18) 0 -9.537916 7.260121 12.058614 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=18) 0 -11.308777 7.647479 13.313421 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=18) 0 -12.545661 8.351742 10.251663 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=18) 0 -12.486352 7.123898 10.279777 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=19) 0 -13.710451 8.979918 10.060711 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=19) 0 -13.724521 9.990992 10.072740 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=19) 0 -14.877175 8.307311 9.493234 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=19) 0 -14.793586 7.234812 9.652117 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=19) 0 -16.155999 8.728332 10.221340 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=19) 0 -16.340166 9.788565 10.071013 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=19) 0 -17.002277 8.169339 9.819927 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=19) 0 -16.065856 8.519754 11.285936 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=19) 0 -14.944396 8.595945 7.980529 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=19) 0 -15.215604 9.732129 7.585367 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=20) 0 -14.708274 7.600650 7.113114 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=20) 0 -14.131793 6.302988 7.423694 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=20) 0 -14.783271 5.729716 8.084029 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=20) 0 -13.151995 6.433667 7.879885 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=20) 0 -13.989320 5.580142 6.089481 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=20) 0 -14.775025 4.831170 5.992288 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=20) 0 -13.003144 5.134865 6.015551 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=20) 0 -14.181650 6.663467 5.033314 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=20) 0 -14.558860 6.258902 4.093788 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=20) 0 -13.231863 7.168338 4.863642 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=20) 0 -15.154180 7.623689 5.725336 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=20) 0 -15.077413 8.617392 5.283553 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=20) 0 -16.620827 7.155431 5.701167 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=20) 0 -17.315002 7.190892 6.724138 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=21) 0 -17.107215 6.634436 4.574772 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=21) 0 -16.522037 6.588808 3.755857 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=21) 0 -18.282090 5.767136 4.649197 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=21) 0 -18.918235 6.202567 5.406201 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=21) 0 -19.081991 5.775239 3.340913 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=21) 0 -19.158999 6.801228 2.981972 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=21) 0 -18.561454 5.189091 2.583227 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=21) 0 -20.503874 5.229913 3.539775 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=21) 0 -21.071003 5.428350 2.629617 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=21) 0 -20.449796 4.149966 3.688967 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=21) 0 -21.208606 5.878679 4.740936 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=21) 0 -21.708917 7.022300 4.623734 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=21) 0 -21.089254 5.342134 5.869976 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=21) 0 -17.885186 4.367185 5.145162 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=21) 0 -16.901594 3.811781 4.665049 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=22) 0 -18.600260 3.806422 6.126435 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=22) 0 -19.465280 4.255277 6.411357 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=22) 0 -18.255713 2.529265 6.776809 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=22) 0 -17.897033 1.855779 6.004103 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=22) 0 -17.099508 2.691448 7.787758 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=22) 0 -16.950222 1.731895 8.285303 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=22) 0 -16.180552 2.921746 7.250088 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=22) 0 -17.303355 3.777671 8.850857 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=22) 0 -17.081699 4.756227 8.420163 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=22) 0 -18.342473 3.782588 9.172720 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=22) 0 -16.408309 3.524519 10.066872 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=22) 0 -15.188798 3.804832 10.016299 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=22) 0 -16.923169 3.039007 11.108594 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=22) 0 -19.457854 1.823924 7.439066 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=22) 0 -20.370403 2.469340 7.963300 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=23) 0 -19.436171 0.489361 7.427662 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=23) 0 -18.624397 0.039185 7.006129 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=23) 0 -20.409464 -0.438127 8.027419 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=23) 0 -20.987425 0.063028 8.804844 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=23) 0 -21.358270 -1.001110 6.951735 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=23) 0 -20.748294 -1.455037 6.170520 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=23) 0 -21.963809 -1.788842 7.401920 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=23) 0 -22.308146 0.028752 6.315128 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=23) 0 -23.027942 0.349247 7.068940 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=23) 0 -21.736495 0.902824 6.003196 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=23) 0 -23.059001 -0.511326 5.083765 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=23) 0 -22.921852 -1.714532 4.736375 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=23) 0 -23.784147 0.280780 4.434270 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=23) 0 -19.627299 -1.608965 8.647400 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=23) 0 -18.694094 -2.104572 8.022171 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=24) 0 -19.958176 -2.056032 9.864859 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=24) 0 -20.759752 -1.652983 10.325002 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=24) 0 -19.110094 -2.979905 10.654545 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=24) 0 -19.525542 -3.010891 11.662668 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=24) 0 -19.169161 -4.420045 10.108081 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=24) 0 -18.745628 -4.458313 9.103641 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=24) 0 -18.554914 -5.050385 10.748846 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=24) 0 -20.567866 -5.021497 10.098760 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=24) 0 -21.043486 -5.446553 9.016713 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=24) 0 -21.165913 -5.161767 11.186454 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=24) 0 -17.647343 -2.493696 10.818521 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=24) 0 -16.721844 -3.292818 10.973363 L N-N--0.415700(PDBName=N,ResName=HID,ResNum=25) 0 -17.416787 -1.179113 10.741585 L H-H-0.271900(PDBName=H,ResName=HID,ResNum=25) 0 -18.226283 -0.570188 10.667165 L C-CT-0.018800(PDBName=CA,ResName=HID,ResNum=25) 0 -16.107806 -0.525785 10.594671 L H-H1-0.088100(PDBName=HA,ResName=HID,ResNum=25) 0 -16.324994 0.531303 10.454319 L C-CT--0.046200(PDBName=CB,ResName=HID,ResNum=25) 0 -15.298336 -0.622687 11.895501 L H-HC-0.040200(PDBName=HB2,ResName=HID,ResNum=25) 0 -14.994833 -1.656871 12.062134 L H-HC-0.040200(PDBName=HB3,ResName=HID,ResNum=25) 0 -14.394189 -0.021784 11.799789 L C-CC--0.026600(PDBName=CG,ResName=HID,ResNum=25) 0 -16.066929 -0.129150 13.092161 L N-NA--0.381100(PDBName=ND1,ResName=HID,ResNum=25) 0 -16.693236 1.090394 13.207874 L H-H-0.364900(PDBName=HD1,ResName=HID,ResNum=25) 0 -16.754740 1.802988 12.482580 L C-CR-0.205700(PDBName=CE1,ResName=HID,ResNum=25) 0 -17.293978 1.141040 14.406894 L H-H5-0.139200(PDBName=HE1,ResName=HID,ResNum=25) 0 -17.881130 1.975285 14.773314 L N-NB--0.572700(PDBName=NE2,ResName=HID,ResNum=25) 0 -17.064129 0.005521 15.088745 L C-CV-0.129200(PDBName=CD2,ResName=HID,ResNum=25) 0 -16.305259 -0.818897 14.247840 L H-H4-0.114700(PDBName=HD2,ResName=HID,ResNum=25) 0 -15.969494 -1.824362 14.466926 L C-C-0.597300(PDBName=C,ResName=HID,ResNum=25) 0 -15.306600 -0.908723 9.336562 L O-O--0.567900(PDBName=O,ResName=HID,ResNum=25) 0 -14.178220 -0.435809 9.170539 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=26) 0 -15.892572 -1.686027 8.423170 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=26) 0 -16.840437 -2.002120 8.605770 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=26) 0 -15.387459 -1.915810 7.068156 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=26) 0 -14.303003 -1.985202 7.111252 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=26) 0 -15.935372 -3.231585 6.474920 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=26) 0 -17.004433 -3.133165 6.289067 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=26) 0 -15.245359 -3.539571 5.146220 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=26) 0 -14.170254 -3.631611 5.293433 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=26) 0 -15.634056 -4.477287 4.747965 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=26) 0 -15.450099 -2.746950 4.431918 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=26) 0 -15.716690 -4.444999 7.387375 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=26) 0 -16.136637 -5.335446 6.917793 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=26) 0 -14.653002 -4.600600 7.557139 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=26) 0 -16.222578 -4.295298 8.340408 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=26) 0 -15.794023 -0.720714 6.202595 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=26) 0 -16.974199 -0.375368 6.130594 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=27) 0 -14.837991 -0.057905 5.550459 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=27) 0 -13.883752 -0.390706 5.634335 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=27) 0 -15.108001 1.152143 4.770387 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=27) 0 -15.696500 1.815642 5.397484 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=27) 0 -13.825579 1.913913 4.377525 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=27) 0 -13.478384 1.525684 3.424119 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=27) 0 -14.121309 2.949772 4.209887 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=27) 0 -12.609717 1.903630 5.320811 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=27) 0 -12.154985 0.921032 5.299389 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=27) 0 -11.559391 2.863677 4.766209 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=27) 0 -11.957752 3.868881 4.678338 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=27) 0 -10.685227 2.872186 5.416604 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=27) 0 -11.262995 2.526595 3.774141 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=27) 0 -12.928111 2.238909 6.776543 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=27) 0 -13.362430 1.366611 7.261507 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=27) 0 -12.016221 2.511810 7.304107 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=27) 0 -13.640233 3.053207 6.840618 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=27) 0 -15.938669 0.798824 3.526584 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=27) 0 -15.492060 0.016840 2.692527 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=28) 0 -17.134037 1.359519 3.365531 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=28) 0 -17.395047 2.100900 4.005023 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=28) 0 -18.039256 1.022469 2.254212 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=28) 0 -17.790734 0.020428 1.902183 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=28) 0 -19.513472 0.974499 2.679620 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=28) 0 -19.904949 1.978942 2.830139 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=28) 0 -20.336189 0.250112 1.612857 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=28) 0 -21.391952 0.262758 1.884077 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=28) 0 -20.224403 0.735969 0.644136 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=28) 0 -19.997538 -0.779558 1.536365 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=28) 0 -19.668179 0.201838 3.984569 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=28) 0 -19.498815 0.883213 4.809002 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=28) 0 -20.673456 -0.195873 4.061555 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=28) 0 -18.943996 -0.608579 4.038380 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=28) 0 -17.781173 1.977528 1.102333 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=28) 0 -18.476999 2.981105 0.926919 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=29) 0 -16.704209 1.699264 0.370990 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=29) 0 -16.208390 0.838722 0.570450 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=29) 0 -16.136289 2.633757 -0.593551 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=29) 0 -16.275670 3.636864 -0.189959 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=29) 0 -14.620711 2.420242 -0.742836 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=29) 0 -14.440174 1.426591 -1.154927 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=29) 0 -14.236906 3.159180 -1.448226 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=29) 0 -13.852412 2.560207 0.585731 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=29) 0 -14.147360 1.748491 1.242656 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=29) 0 -12.349407 2.443554 0.343248 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=29) 0 -12.006721 3.267816 -0.279733 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=29) 0 -11.817449 2.468729 1.293322 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=29) 0 -12.127802 1.499194 -0.152544 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=29) 0 -14.127714 3.880587 1.309021 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=29) 0 -15.150159 3.898145 1.684667 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=29) 0 -13.462174 3.979951 2.163594 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=29) 0 -13.975052 4.717026 0.626321 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=29) 0 -16.896656 2.630461 -1.918791 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=29) 0 -17.484016 1.630057 -2.335720 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=30) 0 -16.908793 3.805059 -2.540263 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=30) 0 -16.316384 4.529057 -2.142181 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=30) 0 -17.756665 4.213592 -3.658756 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=30) 0 -18.385437 3.381382 -3.968712 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=30) 0 -18.628847 5.405184 -3.200943 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=30) 0 -18.089596 5.982909 -2.449519 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=30) 0 -18.777242 6.066050 -4.050630 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=30) 0 -20.031094 5.093523 -2.661743 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=30) 0 -20.452049 6.012191 -2.250810 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=30) 0 -20.669122 4.798290 -3.486510 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=30) 0 -20.096823 4.007094 -1.593412 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=30) 0 -19.573118 3.115853 -1.936128 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=30) 0 -19.618502 4.389583 -0.692766 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=30) 0 -21.496288 3.642168 -1.337004 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=30) 0 -22.136797 3.669699 -2.122517 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=30) 0 -22.047668 3.303404 -0.193581 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=30) 0 -21.381272 3.245746 0.915438 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=30) 0 -20.378242 3.365262 0.913587 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=30) 0 -21.923896 3.226090 1.776448 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=30) 0 -23.310489 3.017343 -0.151453 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=30) 0 -23.853923 3.083280 -0.999873 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=30) 0 -23.691224 2.615425 0.700760 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=30) 0 -16.905151 4.618183 -4.857730 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=30) 0 -15.771607 5.069064 -4.686955 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=31) 0 -17.485585 4.593568 -6.061935 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=31) 0 -18.433813 4.219919 -6.111418 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=31) 0 -16.872555 5.198568 -7.267139 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=31) 0 -15.887930 4.744766 -7.397060 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=31) 0 -17.679674 4.859793 -8.538428 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=31) 0 -17.213323 5.348334 -9.394416 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=31) 0 -17.625689 3.781678 -8.697404 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=31) 0 -19.158391 5.267925 -8.469359 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=31) 0 -19.612716 4.734147 -7.644830 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=31) 0 -19.239817 6.337989 -8.284356 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=31) 0 -19.972393 4.899574 -9.711932 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=31) 0 -19.695147 3.900157 -10.046183 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=31) 0 -21.026180 4.874962 -9.431305 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=31) 0 -19.791034 5.911776 -10.845424 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=31) 0 -20.078864 6.903444 -10.483526 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=31) 0 -18.738533 5.936573 -11.141685 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=31) 0 -20.633917 5.541113 -12.001170 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=31) 0 -21.617429 5.470691 -11.747712 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=31) 0 -20.553986 6.202060 -12.771008 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=31) 0 -20.357711 4.629964 -12.363688 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=31) 0 -16.571468 6.703224 -7.116788 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=31) 0 -15.789801 7.241313 -7.895343 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=32) 0 -17.085007 7.370929 -6.078360 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=32) 0 -17.767069 6.905405 -5.500115 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=32) 0 -16.597529 8.674769 -5.609880 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=32) 0 -16.442961 9.320413 -6.475298 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=32) 0 -17.640162 9.356572 -4.713322 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=32) 0 -17.194551 10.240356 -4.255539 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=32) 0 -18.493144 9.670007 -5.309167 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=32) 0 -18.089098 8.493941 -3.691146 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=32) 0 -18.428668 9.063281 -2.962062 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=32) 0 -15.265444 8.606963 -4.845848 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=32) 0 -14.308454 9.264485 -5.255971 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=33) 0 -15.215025 7.870575 -3.729341 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=33) 0 -16.001228 7.253430 -3.574882 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=33) 0 -14.459780 8.249344 -2.522736 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=33) 0 -14.066307 9.252452 -2.684086 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=33) 0 -15.447884 8.332871 -1.337266 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=33) 0 -14.968743 8.871720 -0.524828 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=33) 0 -16.322038 8.906185 -1.633425 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=33) 0 -15.908148 6.986794 -0.788445 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=33) 0 -15.572018 5.921480 -1.275987 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=33) 0 -16.712060 6.970915 0.245973 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=33) 0 -17.007683 6.075584 0.586682 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=33) 0 -17.035962 7.836977 0.666540 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=33) 0 -13.231940 7.381092 -2.181723 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=33) 0 -12.730188 7.448141 -1.053741 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=34) 0 -12.780155 6.534774 -3.108515 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=34) 0 -13.271556 6.496177 -3.989965 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=34) 0 -11.781687 5.505313 -2.819393 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=34) 0 -12.111142 4.957857 -1.935763 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=34) 0 -11.726429 4.518819 -3.981435 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=34) 0 -12.716411 4.079719 -4.101223 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=34) 0 -11.477171 5.045508 -4.903731 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=34) 0 -10.719502 3.415430 -3.742951 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=34) 0 -11.054834 2.347420 -2.894606 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=34) 0 -12.035614 2.302355 -2.449780 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=34) 0 -10.116392 1.341118 -2.622995 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=34) 0 -10.375869 0.534972 -1.955964 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=34) 0 -8.847562 1.386394 -3.224726 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=34) 0 -8.123915 0.610065 -3.032029 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=34) 0 -8.517598 2.440354 -4.090985 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=34) 0 -7.553156 2.451455 -4.577090 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=34) 0 -9.446135 3.465473 -4.338821 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=34) 0 -9.185439 4.277660 -5.003292 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=34) 0 -10.387643 6.057124 -2.495514 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=34) 0 -9.855642 5.778273 -1.420256 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=35) 0 -9.799044 6.872674 -3.375271 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=35) 0 -10.242253 7.051280 -4.266429 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=35) 0 -8.487725 7.464920 -3.105412 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=35) 0 -7.787926 6.660059 -2.875424 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=35) 0 -7.991506 8.167946 -4.364613 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=35) 0 -8.634710 9.016989 -4.587821 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=35) 0 -6.973308 8.520104 -4.198442 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=35) 0 -7.991200 7.474872 -5.205182 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=35) 0 -8.515695 8.409261 -1.887052 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=35) 0 -7.542032 8.482301 -1.147242 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=36) 0 -9.654719 9.043086 -1.598135 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=36) 0 -10.407025 8.991714 -2.275518 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=36) 0 -9.902766 9.809008 -0.370718 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=36) 0 -9.121636 10.560933 -0.253713 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=36) 0 -11.245017 10.528046 -0.558327 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=36) 0 -11.130273 11.269614 -1.349228 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=36) 0 -11.978539 9.799385 -0.893275 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=36) 0 -11.832886 11.233256 0.663418 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=36) 0 -11.785996 10.594696 1.541699 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=36) 0 -11.268168 12.140350 0.874078 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=36) 0 -13.294628 11.556747 0.370259 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=36) 0 -13.561886 12.431437 -0.486032 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=36) 0 -14.196565 10.915508 0.962657 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=36) 0 -9.903322 8.924226 0.892071 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=36) 0 -9.524345 9.390423 1.970613 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=37) 0 -10.296257 7.651567 0.793019 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=37) 0 -10.613504 7.307019 -0.106901 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=37) 0 -10.175438 6.691759 1.889351 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=37) 0 -10.490488 7.163899 2.816845 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=37) 0 -11.110128 5.511706 1.643018 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=37) 0 -12.121977 5.883494 1.489265 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=37) 0 -10.789071 4.952097 0.767234 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=37) 0 -11.095649 4.850568 2.508659 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=37) 0 -8.721767 6.255502 2.087117 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=37) 0 -8.244212 6.263437 3.221286 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=38) 0 -7.986317 5.990010 1.000252 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=38) 0 -8.447865 5.994244 0.095418 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=38) 0 -6.538630 5.762986 1.064174 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=38) 0 -6.345323 4.916180 1.723493 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=38) 0 -5.978306 5.440709 -0.336129 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=38) 0 -6.109609 6.313919 -0.973809 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=38) 0 -4.909379 5.269703 -0.214912 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=38) 0 -6.537401 4.232803 -1.101897 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=38) 0 -7.556252 4.441021 -1.422997 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=38) 0 -5.662770 4.013429 -2.337264 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=38) 0 -4.634821 3.796302 -2.044576 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=38) 0 -6.048381 3.176332 -2.915261 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=38) 0 -5.671393 4.910379 -2.954985 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=38) 0 -6.532859 2.958859 -0.267094 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=38) 0 -7.248672 3.064944 0.538739 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=38) 0 -6.838214 2.114977 -0.885747 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=38) 0 -5.539722 2.783233 0.146092 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=38) 0 -5.804779 6.982556 1.662233 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=38) 0 -4.918748 6.834896 2.503819 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=39) 0 -6.192875 8.196766 1.274583 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=39) 0 -6.869628 8.262721 0.521376 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=39) 0 -5.589862 9.440697 1.745316 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=39) 0 -4.508050 9.317238 1.714792 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=39) 0 -5.957557 10.554358 0.762623 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=39) 0 -7.032792 10.721205 0.766023 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=39) 0 -5.447189 11.477788 1.039341 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=39) 0 -5.646515 10.268804 -0.242025 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=39) 0 -5.958432 9.799754 3.197761 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=39) 0 -5.342617 10.694982 3.777802 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=40) 0 -6.920926 9.102475 3.810060 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=40) 0 -7.426968 8.418774 3.263973 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=40) 0 -7.247683 9.213433 5.234068 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=40) 0 -6.814969 10.128669 5.642484 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=40) 0 -8.766172 9.330670 5.366587 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=40) 0 -9.245188 8.427378 4.987502 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=40) 0 -9.023704 9.463092 6.417805 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=40) 0 -9.120663 10.196086 4.806240 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=40) 0 -6.695051 8.040767 6.068174 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=40) 0 -6.311289 8.241994 7.219588 L N-N--0.415700(PDBName=N,ResName=HID,ResNum=41) 0 -6.608215 6.837710 5.491084 L H-H-0.271900(PDBName=H,ResName=HID,ResNum=41) 0 -6.965737 6.736060 4.547513 L C-CT-0.018800(PDBName=CA,ResName=HID,ResNum=41) 0 -6.190106 5.603452 6.160582 L H-H1-0.088100(PDBName=HA,ResName=HID,ResNum=41) 0 -5.889480 5.826393 7.182683 L C-CT--0.046200(PDBName=CB,ResName=HID,ResNum=41) 0 -7.381973 4.642024 6.231265 L H-HC-0.040200(PDBName=HB2,ResName=HID,ResNum=41) 0 -7.679324 4.363711 5.220746 L H-HC-0.040200(PDBName=HB3,ResName=HID,ResNum=41) 0 -7.073165 3.736093 6.753286 L C-CC--0.026600(PDBName=CG,ResName=HID,ResNum=41) 0 -8.571634 5.236115 6.939916 L N-NA--0.381100(PDBName=ND1,ResName=HID,ResNum=41) 0 -8.662825 5.514270 8.283373 L H-H-0.364900(PDBName=HD1,ResName=HID,ResNum=41) 0 -7.931906 5.371305 8.980631 L C-CR-0.205700(PDBName=CE1,ResName=HID,ResNum=41) 0 -9.868462 6.050648 8.518020 L H-H5-0.139200(PDBName=HE1,ResName=HID,ResNum=41) 0 -10.223973 6.352232 9.495460 L N-NB--0.572700(PDBName=NE2,ResName=HID,ResNum=41) 0 -10.564956 6.161638 7.372084 L C-CV-0.129200(PDBName=CD2,ResName=HID,ResNum=41) 0 -9.744171 5.641230 6.363530 L H-H4-0.114700(PDBName=HD2,ResName=HID,ResNum=41) 0 -9.982744 5.579633 5.310613 L C-C-0.597300(PDBName=C,ResName=HID,ResNum=41) 0 -4.989653 4.985107 5.435824 L O-O--0.567900(PDBName=O,ResName=HID,ResNum=41) 0 -5.128516 4.355183 4.384642 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=42) 0 -3.788117 5.192645 5.988252 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=42) 0 -3.765370 5.661256 6.890939 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=42) 0 -2.508230 5.002838 5.275626 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=42) 0 -2.592434 5.483361 4.300219 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=42) 0 -1.373415 5.708359 6.041647 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=42) 0 -1.549515 5.648283 7.116857 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=42) 0 -0.429452 5.197847 5.839096 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=42) 0 -1.190427 7.176582 5.619532 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=42) 0 -0.382629 7.598315 6.219373 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=42) 0 -0.876869 7.194967 4.575163 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=42) 0 -2.432850 8.070109 5.764681 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=42) 0 -3.214428 7.740991 5.078232 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=42) 0 -2.799220 8.028900 6.790829 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=42) 0 -2.035303 9.505471 5.421707 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=42) 0 -1.246011 9.821037 6.109919 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=42) 0 -1.618920 9.527962 4.412009 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=42) 0 -3.173964 10.443977 5.515815 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=42) 0 -3.599757 10.416632 6.437242 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=42) 0 -2.863262 11.401648 5.393888 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=42) 0 -3.880870 10.286452 4.804921 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=42) 0 -2.155344 3.550883 4.931743 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=42) 0 -1.290102 3.351086 4.082874 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=43) 0 -2.859772 2.571808 5.503936 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=43) 0 -3.566004 2.839191 6.171000 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=43) 0 -2.815405 1.157660 5.115973 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=43) 0 -2.315080 1.059691 4.150769 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=43) 0 -2.040597 0.335170 6.158746 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=43) 0 -2.651348 0.253892 7.055237 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=43) 0 -1.895049 -0.666998 5.762983 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=43) 0 -0.701182 0.921179 6.551806 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=43) 0 0.244611 1.211454 5.554112 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=43) 0 0.053910 0.941420 4.524957 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=43) 0 1.374928 1.979974 5.869500 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=43) 0 2.049819 2.276916 5.085765 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=43) 0 1.591159 2.418772 7.191650 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=43) 0 2.629511 3.245813 7.464610 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=43) 0 3.000390 3.570587 6.620285 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=43) 0 0.699465 2.034004 8.211980 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=43) 0 0.868842 2.362399 9.228528 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=43) 0 -0.454565 1.298008 7.887482 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=43) 0 -1.174355 1.079570 8.665162 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=43) 0 -4.240421 0.618875 4.977346 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=43) 0 -5.041909 0.759934 5.906188 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=44) 0 -4.558122 -0.005564 3.841260 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=44) 0 -3.864992 -0.078175 3.098978 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=44) 0 -5.916281 -0.461088 3.542721 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=44) 0 -6.429438 -0.629467 4.487253 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=44) 0 -6.659768 0.650322 2.763374 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=44) 0 -5.962950 1.455282 2.522517 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=44) 0 -7.042075 0.262709 1.817357 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=44) 0 -7.822889 1.229957 3.583550 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=44) 0 -7.482925 1.409501 4.601947 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=44) 0 -8.304264 2.560676 3.010763 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=44) 0 -7.458484 3.241192 2.915780 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=44) 0 -8.774676 2.409074 2.040011 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=44) 0 -9.016967 3.016378 3.690868 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=44) 0 -9.009684 0.263604 3.599532 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=44) 0 -8.703083 -0.712466 3.965103 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=44) 0 -9.792709 0.647097 4.249435 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=44) 0 -9.396210 0.140510 2.588766 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=44) 0 -5.931501 -1.796167 2.795251 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=44) 0 -5.273447 -1.940034 1.767597 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=45) 0 -6.723508 -2.753451 3.284053 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=45) 0 -7.214959 -2.568704 4.152729 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=45) 0 -7.082050 -3.966234 2.542456 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=45) 0 -6.415645 -4.055913 1.687651 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=45) 0 -6.900536 -5.208384 3.435133 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=45) 0 -6.124461 -5.023958 4.176525 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=45) 0 -7.834464 -5.373458 3.964043 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=45) 0 -6.547878 -6.488851 2.657553 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=45) 0 -7.182193 -6.568861 1.777012 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=45) 0 -5.087477 -6.484309 2.217671 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=45) 0 -4.424619 -6.467886 3.080332 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=45) 0 -4.884707 -7.377271 1.635104 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=45) 0 -4.900420 -5.617618 1.596628 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=45) 0 -6.744962 -7.725740 3.529529 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=45) 0 -6.590508 -8.621979 2.930363 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=45) 0 -6.036213 -7.717136 4.356297 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=45) 0 -7.763718 -7.746517 3.915121 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=45) 0 -8.513018 -3.833538 2.001547 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=45) 0 -9.413105 -3.405184 2.719399 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=46) 0 -8.753707 -4.214065 0.750471 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=46) 0 -7.979884 -4.605068 0.223731 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=46) 0 -9.976816 -3.898151 -0.000545 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=46) 0 -10.705710 -3.454960 0.674164 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=46) 0 -9.697178 -2.857340 -1.103222 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=46) 0 -9.102169 -3.316792 -1.893254 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=46) 0 -11.015692 -2.349239 -1.700998 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=46) 0 -11.614698 -1.853521 -0.937741 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=46) 0 -10.809957 -1.654113 -2.513177 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=46) 0 -11.590079 -3.180385 -2.112959 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=46) 0 -8.918593 -1.640097 -0.577974 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=46) 0 -7.949457 -1.945657 -0.185691 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=46) 0 -8.734223 -0.947362 -1.394724 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=46) 0 -9.478426 -1.138030 0.208625 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=46) 0 -10.587367 -5.165295 -0.596460 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=46) 0 -9.977699 -5.810550 -1.444244 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=47) 0 -11.788585 -5.493723 -0.133241 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=47) 0 -12.201979 -4.867381 0.548034 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=47) 0 -12.700640 -6.528356 -0.617910 L H-HC 1 0.0000 H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=47) 0 -12.133059 -7.387458 -0.975444 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=47) 0 -13.550001 -5.979594 -1.775031 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=47) 0 -14.104639 -4.885821 -1.684163 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=48) 0 -13.697112 -6.755794 -2.845236 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=48) 0 -13.167184 -7.620402 -2.869006 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=48) 0 -14.562818 -6.464690 -3.990059 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=48) 0 -15.197303 -5.610435 -3.764003 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=48) 0 -13.721045 -6.133598 -5.231322 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=48) 0 -13.217160 -7.039126 -5.550346 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=48) 0 -14.402251 -5.855395 -6.035979 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=48) 0 -12.663349 -5.051493 -5.087862 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=48) 0 -12.916814 -3.754380 -5.561887 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=48) 0 -13.889941 -3.520614 -5.957555 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=48) 0 -11.913488 -2.769501 -5.531945 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=48) 0 -12.116887 -1.778007 -5.910937 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=48) 0 -10.645032 -3.079487 -5.012931 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=48) 0 -9.870922 -2.324843 -4.985539 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=48) 0 -10.394432 -4.368495 -4.511002 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=48) 0 -9.435541 -4.608624 -4.082182 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=48) 0 -11.397869 -5.351192 -4.550448 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=48) 0 -11.194579 -6.335752 -4.158114 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=48) 0 -15.451072 -7.687915 -4.240575 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=48) 0 -14.934720 -8.767448 -4.547157 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=49) 0 -16.768028 -7.553946 -4.061927 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=49) 0 -17.147382 -6.627377 -3.887262 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=49) 0 -17.628847 -8.704263 -3.758200 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=49) 0 -17.127619 -9.612381 -4.094003 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=49) 0 -17.779597 -8.820079 -2.231843 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=49) 0 -18.158580 -9.811501 -2.009073 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=49) 0 -16.794458 -8.754721 -1.768825 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=49) 0 -18.704845 -7.815592 -1.567462 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=49) 0 -19.981004 -8.224268 -1.129925 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=49) 0 -20.302841 -9.243790 -1.283079 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=49) 0 -20.831247 -7.309188 -0.480791 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=49) 0 -21.809036 -7.612376 -0.150211 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=49) 0 -20.413298 -5.976690 -0.283471 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=49) 0 -21.218951 -5.100944 0.371844 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=49) 0 -20.900655 -4.188158 0.240008 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=49) 0 -19.150595 -5.559004 -0.750275 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=49) 0 -18.838734 -4.536246 -0.612676 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=49) 0 -18.290075 -6.484532 -1.369856 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=49) 0 -17.306971 -6.172512 -1.691642 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=49) 0 -18.998025 -8.678996 -4.451662 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=49) 0 -19.560079 -7.616202 -4.713691 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=50) 0 -19.546560 -9.871659 -4.711003 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=50) 0 -19.022521 -10.699149 -4.464460 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=50) 0 -20.912308 -10.079365 -5.193208 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=50) 0 -21.313188 -9.120859 -5.524153 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=50) 0 -20.876641 -11.007999 -6.412521 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=50) 0 -20.285004 -10.554859 -7.209019 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=50) 0 -20.431060 -11.965697 -6.142626 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=50) 0 -21.888099 -11.176018 -6.785399 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=50) 0 -21.799424 -10.637077 -4.055714 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=50) 0 -21.428672 -11.638209 -3.422937 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=51) 0 -22.982782 -10.046937 -3.790035 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=51) 0 -23.700995 -9.139459 -4.676551 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=51) 0 -23.630750 -9.450314 -5.720175 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=51) 0 -23.317787 -8.123969 -4.557108 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=51) 0 -25.151226 -9.206434 -4.210352 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=51) 0 -25.631913 -10.097371 -4.615169 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=51) 0 -25.716280 -8.318723 -4.485309 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=51) 0 -24.980037 -9.345130 -2.697792 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=51) 0 -25.873055 -9.765384 -2.235045 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=51) 0 -24.755945 -8.367362 -2.267352 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=51) 0 -23.756278 -10.263355 -2.555633 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=51) 0 -23.171774 -9.950947 -1.689862 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=51) 0 -24.189650 -11.721490 -2.346606 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=51) 0 -24.306877 -12.209479 -1.220410 L N-N--0.415700(PDBName=N,ResName=TRP,ResNum=52) 0 -24.401167 -12.456932 -3.435544 L H-H-0.271900(PDBName=H,ResName=TRP,ResNum=52) 0 -24.350814 -11.996671 -4.336315 L C-CT--0.005000(PDBName=CB,ResName=TRP,ResNum=52) 0 -25.904599 -13.979479 -4.561058 L H-HC-0.033900(PDBName=HB2,ResName=TRP,ResNum=52) 0 -26.212813 -15.023036 -4.643184 L H-HC-0.033900(PDBName=HB3,ResName=TRP,ResNum=52) 0 -26.795824 -13.398583 -4.316459 L C-C*--0.141500(PDBName=CG,ResName=TRP,ResNum=52) 0 -25.392164 -13.519581 -5.888016 L C-CW--0.163800(PDBName=CD1,ResName=TRP,ResNum=52) 0 -25.771282 -12.405306 -6.556366 L H-H4-0.206200(PDBName=HD1,ResName=TRP,ResNum=52) 0 -26.553011 -11.717715 -6.250128 L N-NA--0.341800(PDBName=NE1,ResName=TRP,ResNum=52) 0 -25.026411 -12.285362 -7.713192 L H-H-0.341200(PDBName=HE1,ResName=TRP,ResNum=52) 0 -25.193239 -11.567287 -8.417150 L C-CN-0.138000(PDBName=CE2,ResName=TRP,ResNum=52) 0 -24.153464 -13.339669 -7.864372 L C-CA--0.260100(PDBName=CZ2,ResName=TRP,ResNum=52) 0 -23.244175 -13.701940 -8.863804 L H-HA-0.157200(PDBName=HZ2,ResName=TRP,ResNum=52) 0 -23.136065 -13.105029 -9.759733 L C-CA--0.113400(PDBName=CH2,ResName=TRP,ResNum=52) 0 -22.557060 -14.918076 -8.740726 L H-HA-0.141700(PDBName=HH2,ResName=TRP,ResNum=52) 0 -21.914239 -15.257574 -9.535844 L C-CA--0.197200(PDBName=CZ3,ResName=TRP,ResNum=52) 0 -22.716502 -15.712864 -7.598174 L H-HA-0.144700(PDBName=HZ3,ResName=TRP,ResNum=52) 0 -22.151114 -16.626302 -7.502047 L C-CA--0.238700(PDBName=CE3,ResName=TRP,ResNum=52) 0 -23.653150 -15.358736 -6.619510 L H-HA-0.170000(PDBName=HE3,ResName=TRP,ResNum=52) 0 -23.859172 -16.047803 -5.822050 L C-CB-0.124300(PDBName=CD2,ResName=TRP,ResNum=52) 0 -24.385223 -14.158653 -6.721496 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=57) 0 -20.250801 -14.718474 2.228335 L H-H 153 0.0000 H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=57) 0 -20.491980 -13.735575 2.636135 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=57) 0 -21.552418 -15.492264 2.012306 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=57) 0 -21.302814 -16.457953 1.572788 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=57) 0 -22.009576 -15.679192 2.983967 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=57) 0 -22.597652 -14.780880 1.133577 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=57) 0 -23.026212 -13.933582 1.670725 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=57) 0 -22.159576 -14.433087 0.199573 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=57) 0 -23.675677 -15.822160 0.836677 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=57) 0 -23.200422 -16.666637 0.337265 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=57) 0 -24.093161 -16.157793 1.786986 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=57) 0 -24.828456 -15.352778 -0.041433 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=57) 0 -25.480243 -14.696892 0.544866 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=57) 0 -24.438346 -14.777033 -0.881866 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=57) 0 -25.591367 -16.527977 -0.530505 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=57) 0 -25.110760 -17.006354 -1.291498 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=57) 0 -25.701305 -17.220295 0.207231 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=57) 0 -26.509489 -16.241787 -0.864455 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=57) 0 -19.368001 -15.430420 3.278142 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=57) 0 -19.703943 -15.402356 4.469099 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=58) 0 -18.246145 -16.040351 2.867014 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=58) 0 -18.079180 -16.122964 1.872125 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=58) 0 -17.198639 -16.523886 3.766486 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=58) 0 -17.661539 -16.972231 4.644588 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=58) 0 -16.404049 -17.632483 3.064297 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=58) 0 -17.079420 -18.416955 2.721086 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=58) 0 -15.854104 -17.232581 2.214097 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=58) 0 -15.691419 -18.068371 3.766671 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=58) 0 -16.292443 -15.375094 4.252556 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=58) 0 -16.005261 -15.301601 5.446179 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=59) 0 -15.906622 -14.458602 3.351936 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=59) 0 -16.185949 -14.587778 2.388327 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=59) 0 -15.022868 -13.324261 3.650861 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=59) 0 -14.183792 -13.694620 4.243143 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=59) 0 -14.483591 -12.751118 2.325553 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=59) 0 -15.325470 -12.358080 1.757241 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=59) 0 -14.043657 -13.552294 1.736939 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=59) 0 -13.445264 -11.620320 2.493315 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=59) 0 -13.856209 -10.822243 3.109698 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=59) 0 -12.141165 -12.121380 3.116772 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=59) 0 -11.733486 -12.937357 2.527563 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=59) 0 -12.314576 -12.452612 4.141265 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=59) 0 -11.410238 -11.314705 3.139102 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=59) 0 -13.100033 -11.039007 1.127131 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=59) 0 -12.616515 -11.789623 0.506606 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=59) 0 -14.014135 -10.695794 0.644349 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=59) 0 -12.439723 -10.180904 1.255010 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=59) 0 -15.697771 -12.213068 4.469103 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=59) 0 -15.124005 -11.757435 5.449820 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=60) 0 -16.896561 -11.762466 4.091780 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=60) 0 -17.306073 -12.158294 3.257076 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=60) 0 -17.444602 -10.491416 4.582597 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=60) 0 -16.743096 -9.712562 4.275799 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=60) 0 -18.761209 -10.194359 3.849986 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=60) 0 -19.144486 -9.226647 4.176327 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=60) 0 -18.573394 -10.140774 2.776324 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=60) 0 -19.507863 -10.960003 4.047140 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=60) 0 -17.563661 -10.373558 6.127328 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=60) 0 -17.165836 -9.331282 6.660042 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=61) 0 -18.006244 -11.409982 6.880945 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=61) 0 -18.646010 -12.635455 6.425177 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=61) 0 -17.897124 -13.424046 6.334085 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=61) 0 -19.172996 -12.510221 5.482498 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=61) 0 -19.637924 -12.987725 7.527140 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=61) 0 -19.887489 -14.048919 7.525517 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=61) 0 -20.535414 -12.375161 7.425681 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=61) 0 -18.874917 -12.583341 8.786393 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=61) 0 -18.220963 -13.405281 9.085117 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=61) 0 -19.554032 -12.327931 9.600933 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=61) 0 -18.039925 -11.369823 8.351524 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=61) 0 -18.549148 -10.458189 8.667267 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=61) 0 -16.647188 -11.418500 9.003126 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=61) 0 -16.467825 -10.958050 10.133292 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=62) 0 -15.654791 -11.956740 8.291015 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=62) 0 -15.852362 -12.270469 7.348844 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=62) 0 -14.251187 -12.005253 8.710264 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=62) 0 -14.210859 -12.130097 9.787767 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=62) 0 -13.550306 -13.205454 8.059426 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=62) 0 -13.723842 -13.204890 6.984853 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=62) 0 -12.476775 -13.116342 8.223148 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=62) 0 -14.041620 -14.536562 8.646043 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=62) 0 -15.119151 -14.625540 8.491727 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=62) 0 -13.562344 -15.355332 8.106108 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=62) 0 -13.721244 -14.664871 10.140247 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=62) 0 -14.353085 -15.491495 10.837638 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=62) 0 -12.816064 -13.966171 10.642642 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=62) 0 -13.516662 -10.699912 8.402806 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=62) 0 -12.730158 -10.230394 9.220567 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=63) 0 -13.872968 -10.033061 7.304505 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=63) 0 -14.475460 -10.506969 6.639957 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=63) 0 -13.537888 -8.632658 7.054745 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=63) 0 -12.452081 -8.531740 7.071595 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=63) 0 -14.058748 -8.226555 5.663988 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=63) 0 -14.600885 -9.050290 5.198316 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=63) 0 -14.762143 -7.398738 5.763412 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=63) 0 -12.940693 -7.821757 4.733460 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=63) 0 -11.930556 -8.748147 4.414926 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=63) 0 -11.995056 -9.755244 4.799183 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=63) 0 -10.845317 -8.361877 3.607380 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=63) 0 -10.063235 -9.061541 3.355191 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=63) 0 -10.784548 -7.042603 3.119475 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=63) 0 -9.757614 -6.646668 2.338028 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=63) 0 -9.901765 -5.751137 2.025290 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=63) 0 -11.795794 -6.118545 3.434149 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=63) 0 -11.737706 -5.115507 3.055637 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=63) 0 -12.884275 -6.513099 4.227506 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=63) 0 -13.683354 -5.818443 4.436216 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=63) 0 -14.086239 -7.724293 8.163583 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=63) 0 -13.370851 -6.855780 8.663615 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=64) 0 -15.311039 -7.985484 8.632329 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=64) 0 -15.881750 -8.658758 8.133675 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=64) 0 -15.874562 -7.321655 9.803446 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=64) 0 -15.768263 -6.244572 9.665097 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=64) 0 -17.375319 -7.624099 9.860778 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=64) 0 -17.554151 -8.694966 9.891488 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=64) 0 -17.809217 -7.174733 10.751537 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=64) 0 -17.866434 -7.210933 8.978966 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=64) 0 -15.122506 -7.671608 11.108088 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=64) 0 -14.806833 -6.753206 11.870907 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=65) 0 -14.748062 -8.940706 11.357887 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=65) 0 -15.059795 -9.667875 10.721399 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=65) 0 -13.904553 -9.315572 12.518152 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=65) 0 -14.386416 -8.970700 13.434699 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=65) 0 -13.683688 -10.839125 12.618772 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=65) 0 -13.666011 -11.268063 11.620778 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=65) 0 -12.707424 -10.998330 13.075609 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=65) 0 -14.676492 -11.613710 13.495676 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=65) 0 -14.537938 -11.313955 14.535380 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=65) 0 -15.691697 -11.364009 13.195235 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=65) 0 -14.508001 -13.142019 13.380540 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=65) 0 -15.159219 -13.619347 14.113110 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=65) 0 -14.861156 -13.431127 12.390682 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=65) 0 -13.070265 -13.670776 13.565966 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=65) 0 -12.417251 -13.135394 12.871711 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=65) 0 -12.731708 -13.483725 14.587913 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=65) 0 -12.986558 -15.116894 13.242810 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=65) 0 -13.374580 -15.263098 12.306023 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=65) 0 -12.034188 -15.460595 13.197766 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=65) 0 -13.511452 -15.677928 13.904751 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=65) 0 -12.542061 -8.620843 12.461999 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=65) 0 -12.084116 -8.138386 13.493019 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=66) 0 -11.918308 -8.530025 11.286230 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=66) 0 -12.333483 -9.010336 10.494405 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=66) 0 -10.639327 -7.855705 11.071817 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=66) 0 -9.914418 -8.238441 11.790699 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=66) 0 -10.130923 -8.192468 9.666106 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=66) 0 -9.168830 -7.707321 9.499870 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=66) 0 -10.004296 -9.268084 9.563855 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=66) 0 -10.841681 -7.851416 8.913708 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=66) 0 -10.745054 -6.337424 11.278756 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=66) 0 -9.880566 -5.751577 11.927594 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=67) 0 -11.816513 -5.701586 10.793617 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=67) 0 -12.461715 -6.216325 10.201309 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=67) 0 -12.068746 -4.278373 11.010578 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=67) 0 -11.186616 -3.716859 10.715187 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=67) 0 -13.242364 -3.840059 10.132691 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=67) 0 -13.403549 -2.770783 10.256656 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=67) 0 -13.015405 -4.043855 9.089177 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=67) 0 -14.151021 -4.374820 10.411639 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=67) 0 -12.313202 -3.948510 12.485752 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=67) 0 -11.733475 -2.987141 12.996508 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=68) 0 -13.105505 -4.775888 13.174908 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=68) 0 -13.545279 -5.538811 12.671264 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=68) 0 -13.343206 -4.673860 14.613954 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=68) 0 -13.742468 -3.686937 14.848865 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=68) 0 -14.074163 -5.427230 14.908496 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=68) 0 -12.063379 -4.896959 15.420592 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=68) 0 -11.753610 -4.080280 16.286611 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=69) 0 -11.285827 -5.933272 15.067940 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=69) 0 -11.642669 -6.560533 14.354367 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=69) 0 -9.968772 -6.255985 15.637141 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=69) 0 -10.079566 -6.425419 16.710146 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=69) 0 -9.408534 -7.542089 15.001531 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=69) 0 -9.989557 -8.385308 15.366904 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=69) 0 -9.524227 -7.493058 13.920236 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=69) 0 -7.919505 -7.786355 15.300718 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=69) 0 -7.319624 -7.087620 14.716304 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=69) 0 -7.723195 -7.605813 16.358703 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=69) 0 -7.495377 -9.211400 14.920222 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=69) 0 -8.162145 -9.610033 14.153735 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=69) 0 -6.486548 -9.191376 14.506597 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=69) 0 -7.516403 -10.127863 16.144153 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=69) 0 -8.383487 -9.886349 16.765000 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=69) 0 -7.612616 -11.161592 15.801284 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=69) 0 -6.262242 -9.995531 16.919640 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=69) 0 -5.495091 -10.344382 16.351898 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=69) 0 -6.026648 -9.020676 17.122116 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=69) 0 -6.287909 -10.545088 17.772886 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=69) 0 -8.995928 -5.100791 15.495759 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=69) 0 -8.572153 -4.565193 16.506744 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=70) 0 -8.662395 -4.677001 14.276989 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=70) 0 -9.067409 -5.140080 13.470850 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=70) 0 -7.653176 -3.635569 14.070079 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=70) 0 -6.743305 -3.942077 14.583477 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=70) 0 -7.351314 -3.499723 12.565940 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=70) 0 -8.288599 -3.521261 12.007605 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=70) 0 -6.883804 -2.534041 12.378405 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=70) 0 -6.406533 -4.599721 12.041400 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=70) 0 -6.780420 -5.578464 12.340670 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=70) 0 -6.342179 -4.548297 10.516044 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=70) 0 -6.202755 -3.522919 10.180384 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=70) 0 -5.529256 -5.168737 10.142596 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=70) 0 -7.273965 -4.932523 10.117952 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=70) 0 -4.977555 -4.434484 12.561756 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=70) 0 -4.613104 -3.438611 12.322447 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=70) 0 -4.946962 -4.574389 13.640228 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=70) 0 -4.325821 -5.180503 12.110921 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=70) 0 -8.068392 -2.310754 14.725464 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=70) 0 -7.226937 -1.628609 15.308928 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=71) 0 -9.368205 -1.991148 14.747226 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=71) 0 -10.021997 -2.595279 14.262820 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=71) 0 -9.882196 -0.802710 15.437427 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=71) 0 -9.242017 0.037852 15.164243 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=71) 0 -11.287604 -0.510869 14.900055 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=71) 0 -11.213860 -0.442975 13.813744 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=71) 0 -11.952505 -1.340681 15.145921 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=71) 0 -11.905428 0.795139 15.415166 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=71) 0 -12.264226 0.644848 16.431868 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=71) 0 -11.157891 1.586128 15.411939 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=71) 0 -13.068850 1.194904 14.496654 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=71) 0 -12.674206 1.645141 13.583935 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=71) 0 -13.609026 0.290975 14.218379 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=71) 0 -14.083604 2.140505 15.141785 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=71) 0 -14.886035 2.322996 14.423990 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=71) 0 -14.532113 1.641379 16.005837 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=71) 0 -13.513337 3.438426 15.566419 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=71) 0 -13.041288 3.934626 14.816876 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=71) 0 -14.281147 4.017849 15.905461 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=71) 0 -12.893733 3.307308 16.360974 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=71) 0 -9.792502 -0.930642 16.963887 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=71) 0 -9.443668 0.056886 17.610414 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=72) 0 -9.998482 -2.119087 17.534885 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=72) 0 -10.299697 -2.888041 16.947223 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=72) 0 -9.806005 -2.403037 18.961403 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=72) 0 -10.250954 -1.593442 19.540543 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=72) 0 -10.566293 -3.689035 19.301394 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=72) 0 -10.136234 -4.536000 18.764704 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=72) 0 -10.506125 -3.879125 20.372041 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=72) 0 -11.615988 -3.585721 19.026477 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=72) 0 -8.316190 -2.485769 19.360948 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=72) 0 -7.928637 -1.973743 20.412386 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=73) 0 -7.450546 -3.005114 18.487910 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=73) 0 -7.842216 -3.475329 17.677406 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=73) 0 -5.980648 -2.966787 18.582024 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=73) 0 -5.685626 -3.331857 19.563537 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=73) 0 -5.357858 -3.911003 17.529831 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=73) 0 -5.742354 -3.644430 16.546694 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=73) 0 -4.278781 -3.755157 17.519969 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=73) 0 -5.612490 -5.409726 17.797955 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=73) 0 -5.221017 -5.653746 18.785172 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=73) 0 -6.683505 -5.605748 17.820143 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=73) 0 -4.954639 -6.343899 16.764558 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=73) 0 -4.362043 -5.859938 15.773688 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=73) 0 -5.002407 -7.586174 16.952654 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=73) 0 -5.406241 -1.535128 18.447027 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=73) 0 -4.190788 -1.336137 18.537511 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=74) 0 -6.262702 -0.524729 18.245671 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=74) 0 -7.242806 -0.756110 18.169437 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=74) 0 -5.887843 0.886576 18.124556 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=74) 0 -6.781248 1.498360 18.245809 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=74) 0 -5.185764 1.139804 18.919316 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=74) 0 -5.241631 1.243932 16.783014 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=74) 0 -4.701944 2.341316 16.639027 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=75) 0 -5.287795 0.342345 15.803543 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=75) 0 -5.841537 -0.494625 15.954356 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=75) 0 -4.539321 0.422055 14.552138 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=75) 0 -3.508159 0.682393 14.790982 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=75) 0 -4.532141 -0.942430 13.867301 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=75) 0 -4.262177 -1.723055 14.580050 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=75) 0 -5.523810 -1.150300 13.469361 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=75) 0 -3.604527 -0.925430 12.807739 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=75) 0 -2.777003 -1.338538 13.140463 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=75) 0 -5.083631 1.456830 13.571462 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=75) 0 -6.295520 1.602212 13.379013 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=76) 0 -4.163565 2.123835 12.884335 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=76) 0 -3.189634 1.962123 13.135223 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=76) 0 -4.405891 2.969902 11.717795 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=76) 0 -5.271470 3.597581 11.933368 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=76) 0 -3.195024 3.905162 11.520475 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=76) 0 -3.498552 4.692876 10.832672 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=76) 0 -2.962777 4.391035 12.469436 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=76) 0 -1.908773 3.270039 10.950526 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=76) 0 -2.133050 2.867496 9.960880 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=76) 0 -1.175881 4.067271 10.810673 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=76) 0 -1.271700 2.172746 11.822129 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=76) 0 -1.390027 2.230167 13.070921 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=76) 0 -0.676229 1.238407 11.244831 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=76) 0 -4.739058 2.175798 10.437220 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=76) 0 -5.264103 2.759225 9.485988 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=77) 0 -4.469573 0.863604 10.411019 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=77) 0 -4.063579 0.445419 11.243450 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=77) 0 -4.791227 -0.041155 9.296178 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=77) 0 -4.456675 0.419216 8.368661 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=77) 0 -4.096912 -1.414851 9.469368 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=77) 0 -4.579162 -1.912320 10.310944 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=77) 0 -4.310453 -2.276210 8.208624 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=77) 0 -5.369664 -2.482942 8.054653 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=77) 0 -3.918368 -1.767695 7.328691 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=77) 0 -3.802554 -3.230175 8.321196 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=77) 0 -2.586972 -1.346479 9.790090 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=77) 0 -2.021725 -1.123571 8.888180 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=77) 0 -2.389658 -0.553528 10.505603 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=77) 0 -2.069126 -2.649032 10.417975 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=77) 0 -2.044876 -3.452273 9.683907 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=77) 0 -1.067118 -2.487972 10.808230 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=77) 0 -2.700455 -2.948276 11.250321 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=77) 0 -6.307440 -0.257568 9.229994 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=77) 0 -6.920143 -0.564364 10.255831 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=78) 0 -6.915174 -0.157767 8.039636 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=78) 0 -6.338831 0.081124 7.235629 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=78) 0 -8.359067 -0.389186 7.821714 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=78) 0 -8.796814 -0.769022 8.746442 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=78) 0 -9.068245 0.935802 7.465900 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=78) 0 -8.668233 1.307562 6.524264 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=78) 0 -10.131120 0.742651 7.315213 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=78) 0 -8.933564 2.056006 8.511325 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=78) 0 -7.888450 2.357508 8.577966 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=78) 0 -9.510801 2.912356 8.167271 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=78) 0 -9.415818 1.676315 9.915640 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=78) 0 -8.894115 0.783440 10.235106 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=78) 0 -9.140337 2.462722 10.614663 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=78) 0 -10.865117 1.417646 9.975031 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=78) 0 -11.138238 0.443803 10.056625 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=78) 0 -11.815274 2.318439 10.119963 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=78) 0 -11.545870 3.572660 10.312318 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=78) 0 -10.589611 3.860644 10.506999 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=78) 0 -12.292385 4.208998 10.528889 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=78) 0 -13.068112 1.975428 10.078964 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=78) 0 -13.318110 1.030958 9.804591 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=78) 0 -13.792950 2.691886 10.079947 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=78) 0 -8.648371 -1.477528 6.783483 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=78) 0 -7.772576 -1.911546 6.036074 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=79) 0 -9.912239 -1.894715 6.745770 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=79) 0 -10.560677 -1.462610 7.385086 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=79) 0 -10.491283 -2.839384 5.789509 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=79) 0 -9.741141 -3.146758 5.064441 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=79) 0 -11.041968 -4.085193 6.512928 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=79) 0 -11.831551 -3.765187 7.191225 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=79) 0 -11.520344 -4.712424 5.764738 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=79) 0 -10.077371 -4.988391 7.299983 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=79) 0 -10.659364 -5.837295 7.656443 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=79) 0 -8.937561 -5.523106 6.442998 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=79) 0 -9.346415 -6.110208 5.620308 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=79) 0 -8.343587 -4.696424 6.056515 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=79) 0 -8.293249 -6.154724 7.050165 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=79) 0 -9.462855 -4.309850 8.521281 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=79) 0 -8.529950 -3.809886 8.264092 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=79) 0 -10.153845 -3.577579 8.926467 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=79) 0 -9.263810 -5.068340 9.272714 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=79) 0 -11.641832 -2.135744 5.063087 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=79) 0 -12.409148 -1.436994 5.718651 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=80) 0 -11.799866 -2.327043 3.755875 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=80) 0 -11.109993 -2.894909 3.275184 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=80) 0 -12.847279 -1.709832 2.936335 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=80) 0 -13.583061 -1.240526 3.582879 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=80) 0 -12.202409 -0.630011 2.067901 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=80) 0 -11.776950 0.148610 2.697640 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=80) 0 -11.417327 -1.071577 1.456014 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=80) 0 -12.957570 -0.198637 1.414163 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=80) 0 -13.587230 -2.728726 2.058508 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=80) 0 -12.965840 -3.678074 1.602244 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=81) 0 -14.874352 -2.506156 1.768801 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=81) 0 -15.288780 -1.654323 2.130673 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=81) 0 -15.721351 -3.358203 0.921380 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=81) 0 -15.084675 -4.129748 0.484086 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=81) 0 -16.763777 -4.110784 1.772194 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=81) 0 -17.239425 -4.866148 1.147648 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=81) 0 -16.236065 -4.638221 2.563696 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=81) 0 -17.851435 -3.231907 2.413709 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=81) 0 -17.385567 -2.499624 3.073773 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=81) 0 -18.391461 -2.700311 1.631577 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=81) 0 -16.331646 -2.583120 -0.250563 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=81) 0 -16.871735 -1.483326 -0.084484 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=82) 0 -16.258013 -3.173341 -1.439314 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=82) 0 -15.709720 -4.027790 -1.485688 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=82) 0 -16.682708 -2.597565 -2.720865 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=82) 0 -17.104978 -1.612912 -2.556993 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=82) 0 -15.487969 -2.393909 -3.664648 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=82) 0 -15.028113 -3.355278 -3.878289 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=82) 0 -15.959168 -1.767831 -4.984776 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=82) 0 -16.514249 -0.852052 -4.786336 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=82) 0 -15.101315 -1.552212 -5.616652 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=82) 0 -16.606517 -2.462069 -5.520158 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=82) 0 -14.434964 -1.480527 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-6.987536 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=84) 0 -19.374107 -7.434051 -7.383048 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=84) 0 -20.789217 -5.242272 -8.347643 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=84) 0 -20.679956 -5.359755 -9.571739 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=85) 0 -21.980332 -5.067296 -7.762730 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=85) 0 -22.030150 -4.999134 -6.746250 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=85) 0 -23.251157 -4.926088 -8.499566 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=85) 0 -23.071824 -5.064048 -9.565523 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=85) 0 -24.272397 -6.006378 -8.096660 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=85) 0 -25.149442 -5.909754 -8.735942 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=85) 0 -23.727642 -7.429312 -8.226527 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=85) 0 -22.881549 -7.580813 -7.557276 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=85) 0 -24.513987 -8.139517 -7.970739 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=85) 0 -23.420884 -7.608307 -9.255394 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=85) 0 -24.682612 -5.855532 -6.762733 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=85) 0 -25.401803 -5.186839 -6.780161 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=85) 0 -23.853405 -3.524987 -8.354495 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=85) 0 -24.455904 -3.023576 -9.304320 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=86) 0 -23.672303 -2.843157 -7.216904 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=86) 0 -23.253770 -3.348109 -6.434064 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=86) 0 -24.242303 -1.505880 -6.967257 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=86) 0 -25.040318 -1.326775 -7.687172 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=86) 0 -24.887017 -1.411933 -5.572825 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=86) 0 -24.104439 -1.402836 -4.812870 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=86) 0 -25.413930 -0.458497 -5.514787 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=86) 0 -25.886086 -2.528467 -5.230941 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=86) 0 -25.325556 -3.384735 -4.862898 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=86) 0 -26.534732 -2.183490 -4.423183 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=86) 0 -26.740241 -2.971409 -6.421541 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=86) 0 -27.436299 -2.131600 -7.041479 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=86) 0 -26.683375 -4.161239 -6.806675 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=86) 0 -23.257402 -0.349548 -7.177514 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=86) 0 -23.667709 0.695596 -7.685303 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=87) 0 -21.970062 -0.507957 -6.849585 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=87) 0 -21.672730 -1.390187 -6.444773 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=87) 0 -20.937255 0.476840 -7.213121 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=87) 0 -21.394131 1.459850 -7.331838 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=87) 0 -19.849622 0.593121 -6.128892 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=87) 0 -19.443987 -0.389760 -5.897021 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=87) 0 -19.030245 1.199995 -6.518310 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=87) 0 -20.358756 1.239830 -4.836064 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=87) 0 -21.146204 0.618186 -4.404508 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=87) 0 -19.537176 1.282246 -4.120071 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=87) 0 -20.880918 2.656693 -5.087656 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=87) 0 -22.070646 2.922780 -4.804849 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=87) 0 -20.113828 3.513974 -5.585373 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=87) 0 -20.320831 0.145102 -8.571257 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=87) 0 -20.262287 1.021118 -9.436629 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=88) 0 -19.922914 -1.120102 -8.768225 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=88) 0 -20.036545 -1.747578 -7.975202 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=88) 0 -19.342812 -1.705039 -9.991765 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=88) 0 -19.086310 -2.737729 -9.757213 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=88) 0 -20.411004 -1.763558 -11.090898 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=88) 0 -21.291398 -2.290378 -10.718228 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=88) 0 -20.702533 -0.751474 -11.374810 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=88) 0 -19.911753 -2.436968 -12.226991 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=88) 0 -20.530219 -2.239134 -12.966104 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=88) 0 -18.042680 -1.047957 -10.488327 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=88) 0 -16.987442 -1.680891 -10.497815 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=89) 0 -18.077386 0.238196 -10.835368 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=89) 0 -18.965277 0.711274 -10.713639 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=89) 0 -16.983681 0.978573 -11.472808 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=89) 0 -16.674868 0.435544 -12.365772 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=89) 0 -17.472415 2.371960 -11.876774 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=89) 0 -17.798882 2.909609 -10.986460 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=89) 0 -16.641990 2.921621 -12.318565 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=89) 0 -18.597500 2.329726 -12.896965 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=89) 0 -18.470388 1.602579 -13.902904 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=89) 0 -19.591080 3.073830 -12.721253 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=89) 0 -15.747622 1.148382 -10.589450 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=89) 0 -14.651890 1.363164 -11.107773 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=90) 0 -15.901178 1.040867 -9.267183 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=90) 0 -16.833945 0.895183 -8.912133 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=90) 0 -14.770287 0.990550 -8.343798 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=90) 0 -14.048301 1.742190 -8.653735 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=90) 0 -15.258155 1.350637 -6.928946 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=90) 0 -15.675050 2.357674 -6.947290 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=90) 0 -16.049671 0.660546 -6.637254 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=90) 0 -14.135740 1.297334 -5.876977 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=90) 0 -13.753913 0.280797 -5.805823 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=90) 0 -12.979124 2.223908 -6.228165 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=90) 0 -13.322404 3.255601 -6.308631 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=90) 0 -12.225948 2.135879 -5.453134 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=90) 0 -12.514945 1.926536 -7.165814 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=90) 0 -14.650283 1.703967 -4.499461 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=90) 0 -13.893840 1.473920 -3.751584 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=90) 0 -14.852465 2.769427 -4.476488 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=90) 0 -15.563058 1.162568 -4.260988 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=90) 0 -14.046417 -0.364086 -8.407976 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=90) 0 -12.820711 -0.413580 -8.368150 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=91) 0 -14.787325 -1.460400 -8.572593 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=91) 0 -15.780206 -1.359227 -8.727166 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=91) 0 -14.210192 -2.791955 -8.715601 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=91) 0 -13.430598 -2.915249 -7.967511 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=91) 0 -15.320781 -3.818341 -8.449851 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=91) 0 -14.878249 -4.793405 -8.270552 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=91) 0 -15.886855 -3.542389 -7.560338 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=91) 0 -15.999514 -3.879065 -9.301621 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=91) 0 -13.521525 -2.948033 -10.080657 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=91) 0 -12.354891 -3.334862 -10.153107 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=92) 0 -14.184307 -2.504695 -11.152837 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=92) 0 -15.143312 -2.196015 -11.025069 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=92) 0 -13.625972 -2.499387 -12.510092 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=92) 0 -13.176403 -3.476798 -12.684167 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=92) 0 -14.761691 -2.312443 -13.535657 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=92) 0 -15.237885 -1.347558 -13.361017 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=92) 0 -14.332752 -2.300269 -14.538634 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=92) 0 -15.842450 -3.412122 -13.487372 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=92) 0 -16.367432 -3.377175 -12.533283 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=92) 0 -16.573982 -3.217753 -14.271598 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=92) 0 -15.267645 -4.812901 -13.678361 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=92) 0 -14.898594 -5.495969 -12.731528 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=92) 0 -15.106890 -5.289813 -14.891430 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=92) 0 -14.658271 -6.198332 -14.991161 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=92) 0 -15.422845 -4.770078 -15.689911 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=92) 0 -12.472222 -1.490993 -12.713324 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=92) 0 -11.865044 -1.468367 -13.786103 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=93) 0 -12.113936 -0.694375 -11.695482 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=93) 0 -12.655570 -0.734297 -10.843645 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=93) 0 -10.901111 0.137803 -11.685956 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=93) 0 -10.673245 0.403467 -12.714718 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=93) 0 -11.158789 1.442790 -10.902107 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=93) 0 -12.222030 1.525886 -10.698182 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=93) 0 -10.662677 1.405609 -9.930958 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=93) 0 -10.742100 2.721194 -11.656633 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=93) 0 -10.820747 2.576567 -12.732886 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=93) 0 -11.438914 3.515835 -11.397501 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=93) 0 -9.346626 3.218202 -11.298217 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=93) 0 -9.178221 4.009653 -10.379463 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=93) 0 -8.317352 2.823831 -12.009758 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=93) 0 -7.383752 3.079684 -11.708916 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=93) 0 -8.456198 2.187807 -12.791020 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=93) 0 -9.660154 -0.602811 -11.160685 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=93) 0 -8.548670 -0.188093 -11.478225 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=94) 0 -9.819860 -1.702552 -10.411392 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=94) 0 -10.762130 -2.010139 -10.198277 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=94) 0 -8.713840 -2.386505 -9.717109 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=94) 0 -7.774466 -2.011842 -10.121539 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=94) 0 -8.730569 -2.014315 -8.224516 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=94) 0 -9.652244 -2.392019 -7.779742 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=94) 0 -7.893688 -2.502753 -7.724218 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=94) 0 -8.610939 -0.521198 -7.972037 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=94) 0 -7.489136 0.185300 -8.451630 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=94) 0 -6.700714 -0.340210 -8.971437 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=94) 0 -7.410376 1.582398 -8.304650 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=94) 0 -6.567677 2.117451 -8.708717 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=94) 0 -8.443060 2.275337 -7.642176 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=94) 0 -8.407325 3.626285 -7.513065 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=94) 0 -7.717693 4.023350 -8.059891 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=94) 0 -9.539676 1.563563 -7.125398 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=94) 0 -10.308682 2.109100 -6.611230 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=94) 0 -9.634906 0.171312 -7.299986 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=94) 0 -10.504514 -0.357266 -6.937912 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=94) 0 -8.638290 -3.902894 -9.963937 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=94) 0 -7.978604 -4.616764 -9.213732 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=95) 0 -9.268121 -4.401138 -11.031335 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=95) 0 -9.854011 -3.781357 -11.567661 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=95) 0 -9.066137 -5.764556 -11.530196 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=95) 0 -9.482310 -5.849112 -12.534458 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=95) 0 -7.997597 -5.959064 -11.589972 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=95) 0 -9.688997 -6.841546 -10.642411 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=95) 0 -9.051426 -7.368369 -9.726295 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=96) 0 -10.944336 -7.181153 -10.932724 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=96) 0 -11.390356 -6.699348 -11.708625 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=96) 0 -11.706276 -8.223789 -10.237173 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=96) 0 -11.434642 -8.200892 -9.182755 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=96) 0 -13.222768 -7.964823 -10.323259 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=96) 0 -13.533149 -7.993765 -11.365087 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=96) 0 -14.031849 -8.996345 -9.526962 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=96) 0 -15.096852 -8.781159 -9.617196 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=96) 0 -13.860748 -9.997514 -9.916534 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=96) 0 -13.749426 -8.968182 -8.474295 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=96) 0 -13.590048 -6.589831 -9.769651 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=96) 0 -14.669275 -6.453389 -9.836118 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=96) 0 -13.261874 -6.501478 -8.733653 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=96) 0 -13.116358 -5.813262 -10.366522 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=96) 0 -11.325732 -9.592220 -10.802248 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=96) 0 -11.857120 -10.041429 -11.825562 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=97) 0 -10.419376 -10.286444 -10.114193 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=97) 0 -10.070743 -9.851807 -9.265933 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=97) 0 -10.009311 -11.672597 -10.382184 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=97) 0 -10.013882 -11.828932 -11.459906 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=97) 0 -8.561472 -11.889333 -9.928910 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=97) 0 -8.283576 -12.898571 -10.223558 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=97) 0 -7.919617 -11.204900 -10.482956 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=97) 0 -8.289576 -11.690617 -8.423418 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=97) 0 -8.076805 -10.637145 -8.237601 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=97) 0 -9.158997 -11.967604 -7.829039 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=97) 0 -7.103689 -12.545867 -7.956846 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=97) 0 -6.864490 -12.286514 -6.927006 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=97) 0 -7.389730 -13.596199 -7.961850 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=97) 0 -5.912595 -12.322136 -8.791511 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=97) 0 -5.473954 -11.411039 -8.696843 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=97) 0 -5.414449 -13.114129 -9.720843 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=97) 0 -5.931486 -14.275349 -10.015358 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=97) 0 -6.775626 -14.592033 -9.554546 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=97) 0 -5.549438 -14.841679 -10.760926 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=97) 0 -4.379337 -12.716436 -10.395392 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=97) 0 -4.053325 -11.761361 -10.291731 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=97) 0 -4.020301 -13.294459 -11.146434 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=97) 0 -11.002127 -12.696828 -9.821114 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=97) 0 -10.635732 -13.610028 -9.078506 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=98) 0 -12.276504 -12.521896 -10.156679 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=98) 0 -12.495624 -11.753487 -10.774488 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=98) 0 -13.377448 -13.232779 -9.516706 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=98) 0 -14.240476 -13.252145 -10.179153 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=98) 0 -13.078012 -14.260666 -9.322713 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=98) 0 -13.798146 -12.622008 -8.181161 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=98) 0 -13.247839 -11.620432 -7.720437 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=99) 0 -14.785984 -13.244282 -7.548306 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=99) 0 -15.149903 -14.092933 -7.969511 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=99) 0 -15.411948 -12.773297 -6.321853 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=99) 0 -14.986737 -11.800157 -6.094252 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=99) 0 -16.910319 -12.525776 -6.537131 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=99) 0 -17.445673 -13.467681 -6.437784 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=99) 0 -17.265685 -11.878782 -5.737062 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=99) 0 -17.297732 -11.891929 -7.862280 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=99) 0 -17.423317 -10.493940 -7.978973 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=99) 0 -17.177119 -9.853552 -7.143420 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=99) 0 -17.906978 -9.932006 -9.177353 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=99) 0 -18.020234 -8.865365 -9.266662 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=99) 0 -18.281463 -10.767114 -10.252634 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=99) 0 -18.779447 -10.252278 -11.403910 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=99) 0 -18.763249 -9.276259 -11.388832 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=99) 0 -18.101939 -12.156333 -10.151751 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=99) 0 -18.386988 -12.788596 -10.981219 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=99) 0 -17.593364 -12.713593 -8.967346 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=99) 0 -17.497335 -13.785811 -8.890681 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=99) 0 -15.146433 -13.760713 -5.164553 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=99) 0 -15.231498 -14.979857 -5.357879 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=100) 0 -14.805505 -13.275689 -3.958529 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=100) 0 -14.676256 -14.086291 -2.759357 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=100) 0 -14.093840 -14.986726 -2.952842 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=100) 0 -15.667558 -14.356192 -2.409713 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=100) 0 -13.978019 -13.210794 -1.718780 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=100) 0 -12.905610 -13.392551 -1.754289 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=100) 0 -14.365410 -13.391716 -0.716525 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=100) 0 -14.262732 -11.785361 -2.188606 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=100) 0 -13.492544 -11.084045 -1.864082 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=100) 0 -15.240235 -11.467637 -1.825740 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=100) 0 -14.308165 -11.927934 -3.709321 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=100) 0 -15.000739 -11.183422 -4.097978 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=100) 0 -12.919020 -11.741918 -4.346343 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=100) 0 -12.103379 -12.670279 -4.380622 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=101) 0 -12.633887 -10.535822 -4.823993 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=101) 0 -13.363361 -9.828928 -4.768371 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=101) 0 -11.256380 -10.059411 -5.012448 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=101) 0 -10.583665 -10.902521 -5.161255 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=101) 0 -11.137222 -9.171063 -6.256424 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=101) 0 -11.978762 -8.488271 -6.307082 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=101) 0 -9.838778 -8.372430 -6.368736 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=101) 0 -8.984139 -9.047284 -6.363699 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=101) 0 -9.845609 -7.807366 -7.298883 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=101) 0 -9.750253 -7.663948 -5.547109 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=101) 0 -11.160501 -10.003279 -7.384009 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=101) 0 -11.977028 -10.542177 -7.361127 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=101) 0 -10.830361 -9.347862 -3.735428 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=101) 0 -11.645467 -8.685617 -3.097598 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=102) 0 -9.566151 -9.498899 -3.351084 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=102) 0 -8.946981 -10.043695 -3.940817 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=102) 0 -8.969699 -8.844836 -2.189238 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=102) 0 -9.630605 -8.043633 -1.878281 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=102) 0 -8.806038 -9.799507 -0.983462 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=102) 0 -7.962390 -10.455724 -1.182159 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=102) 0 -8.490828 -8.948429 0.257725 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=102) 0 -8.301294 -9.587671 1.120720 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=102) 0 -7.609438 -8.329073 0.101955 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=102) 0 -9.342059 -8.304410 0.473864 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=102) 0 -10.031645 -10.677811 -0.634629 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=102) 0 -9.997146 -10.935960 0.424952 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=102) 0 -10.950527 -10.116398 -0.806743 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=102) 0 -10.082973 -12.008192 -1.396006 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=102) 0 -10.304297 -11.843043 -2.446370 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=102) 0 -9.129858 -12.529325 -1.301722 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=102) 0 -10.864352 -12.634672 -0.970281 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=102) 0 -7.622651 -8.243623 -2.604760 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=102) 0 -6.771610 -8.956822 -3.142913 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=103) 0 -7.415672 -6.950147 -2.341238 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=103) 0 -8.177439 -6.439262 -1.900335 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=103) 0 -6.169961 -6.216578 -2.637357 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=103) 0 -5.368502 -6.931896 -2.822733 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=103) 0 -6.347386 -5.353399 -3.899036 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=103) 0 -7.260272 -4.766892 -3.817224 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=103) 0 -5.506346 -4.661103 -3.977653 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=103) 0 -6.374936 -6.205106 -5.174482 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=103) 0 -5.427611 -6.733732 -5.238915 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=103) 0 -7.186188 -6.931889 -5.131736 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=103) 0 -6.538910 -5.346022 -6.431518 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=103) 0 -7.592652 -5.114058 -6.594424 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=103) 0 -5.995598 -4.410177 -6.298996 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=103) 0 -5.943784 -6.052733 -7.653507 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=103) 0 -5.893421 -5.335154 -8.477795 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=103) 0 -4.922044 -6.352687 -7.411186 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=103) 0 -6.715415 -7.238724 -8.093204 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=103) 0 -7.632631 -6.987351 -8.455010 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=103) 0 -6.216467 -7.703939 -8.842841 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=103) 0 -6.785674 -7.940489 -7.355045 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=103) 0 -5.705559 -5.359754 -1.461184 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=103) 0 -6.493889 -5.030117 -0.584024 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=104) 0 -4.437648 -4.974273 -1.456945 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=104) 0 -3.864143 -5.274688 -2.237631 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=104) 0 -3.815487 -4.052224 -0.509458 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=104) 0 -4.514614 -3.827606 0.293454 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=104) 0 -2.580802 -4.732925 0.088251 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=104) 0 -2.895178 -5.674373 0.530126 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=104) 0 -1.899288 -4.980042 -0.723113 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=104) 0 -1.829259 -3.929314 1.135269 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=104) 0 -2.470138 -3.532608 2.325124 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=104) 0 -3.505418 -3.789602 2.494615 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=104) 0 -1.771621 -2.789189 3.293282 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=104) 0 -2.276365 -2.476147 4.194825 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=104) 0 -0.422736 -2.453871 3.083963 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=104) 0 0.120196 -1.882452 3.822721 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=104) 0 0.222228 -2.859623 1.903922 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=104) 0 1.263970 -2.622797 1.743493 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=104) 0 -0.478723 -3.588897 0.928482 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=104) 0 0.031637 -3.891981 0.023282 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=104) 0 -3.454950 -2.731717 -1.189896 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=104) 0 -3.171705 -2.716670 -2.383238 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=105) 0 -3.470130 -1.644293 -0.419271 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=105) 0 -3.765739 -1.756753 0.545317 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=105) 0 -3.121926 -0.284731 -0.826918 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=105) 0 -2.414740 -0.323118 -1.658403 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=105) 0 -4.387037 0.457956 -1.279499 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=105) 0 -5.128096 0.391901 -0.481405 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=105) 0 -4.134734 1.511059 -1.401115 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=105) 0 -5.025480 -0.015103 -2.574046 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=105) 0 -4.750244 0.655703 -3.781026 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=105) 0 -4.043015 1.472720 -3.794453 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=105) 0 -5.401514 0.271284 -4.966793 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=105) 0 -5.196277 0.790479 -5.892700 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=105) 0 -6.313603 -0.798809 -4.953563 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=105) 0 -6.810999 -1.092961 -5.866258 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=105) 0 -6.572915 -1.487907 -3.756445 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=105) 0 -7.271118 -2.311594 -3.746586 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=105) 0 -5.936012 -1.089546 -2.567607 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=105) 0 -6.140267 -1.613164 -1.646065 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=105) 0 -2.470137 0.475766 0.344626 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=105) 0 -2.689998 0.155692 1.519339 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=106) 0 -1.688759 1.516594 0.028397 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=106) 0 -1.614944 1.777277 -0.947199 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=106) 0 -0.956977 2.354445 0.997567 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=106) 0 -1.401271 2.238811 1.984238 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=106) 0 0.528432 1.951472 1.047407 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=106) 0 0.993203 2.265986 0.110339 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=106) 0 0.990614 2.502342 1.866009 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=106) 0 0.850783 0.468412 1.257225 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=106) 0 0.530665 0.157722 2.251187 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=106) 0 0.327575 -0.132366 0.513535 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=106) 0 2.356327 0.217570 1.081592 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=106) 0 2.508345 -0.857365 1.067892 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=106) 0 2.673392 0.609486 0.112869 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=106) 0 3.179318 0.825721 2.145767 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=106) 0 3.442831 1.799138 2.055523 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=106) 0 3.597985 0.248595 3.253713 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=106) 0 3.505861 -1.026056 3.468732 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=106) 0 3.486925 -1.643662 2.656529 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=106) 0 3.911145 -1.405544 4.316373 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=106) 0 4.130969 0.987684 4.172903 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=106) 0 4.368652 1.946727 3.923991 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=106) 0 4.375844 0.621421 5.087585 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=106) 0 -1.015764 3.835164 0.615648 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=106) 0 -1.226775 4.139958 -0.550114 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=107) 0 -0.690649 4.740293 1.541475 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=107) 0 -0.610179 4.389103 2.489496 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=107) 0 -0.198967 6.108466 1.272929 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=107) 0 -0.189355 6.628585 2.231456 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=107) 0 1.259837 6.021503 0.784081 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=107) 0 1.262152 5.639956 -0.237287 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=107) 0 1.709110 7.014682 0.773952 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=107) 0 2.129894 5.134493 1.641229 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=107) 0 2.173190 5.242270 2.859202 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=107) 0 2.833704 4.209834 1.050253 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=107) 0 3.538587 3.768944 1.632853 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=107) 0 2.927861 4.180736 0.041865 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=107) 0 -1.044911 7.001221 0.330295 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=107) 0 -0.496079 7.882378 -0.342020 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=108) 0 -2.355792 6.768644 0.207181 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=108) 0 -2.754465 5.996291 0.730932 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=108) 0 -3.183130 7.450105 -0.804779 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=108) 0 -4.231746 7.342358 -0.563175 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=108) 0 -2.969879 8.517343 -0.773766 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=108) 0 -2.954764 6.969945 -2.250069 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=108) 0 -3.494701 7.560984 -3.181708 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=109) 0 -2.130198 5.942139 -2.449756 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=109) 0 -1.799011 5.436544 -1.635840 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=109) 0 -1.505280 5.565086 -3.715065 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=109) 0 -1.502251 6.437608 -4.369556 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=109) 0 -0.040424 5.180339 -3.441684 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=109) 0 0.417240 5.944534 -2.814488 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=109) 0 0.008341 4.233675 -2.901754 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=109) 0 0.755115 5.075268 -4.738120 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=109) 0 0.976617 6.137283 -5.371673 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=109) 0 1.119684 3.951279 -5.148650 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=109) 0 -2.269522 4.445951 -4.432570 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=109) 0 -2.080721 3.254399 -4.179382 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=110) 0 -3.124997 4.823995 -5.381633 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=110) 0 -3.271001 5.813338 -5.544985 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=110) 0 -3.879060 3.853897 -6.194005 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=110) 0 -4.277004 3.098846 -5.517637 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=110) 0 -5.085014 4.495903 -6.885635 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=110) 0 -5.629719 3.715461 -7.413313 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=110) 0 -6.034273 5.165660 -5.892718 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=110) 0 -5.535961 5.981729 -5.368756 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=110) 0 -6.896992 5.564860 -6.420157 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=110) 0 -6.384085 4.428889 -5.173168 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=110) 0 -4.688777 5.475800 -7.814983 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=110) 0 -5.409717 5.515084 -8.470426 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=110) 0 -3.010320 3.092390 -7.205328 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=110) 0 -3.463476 2.084855 -7.747958 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=111) 0 -1.753025 3.509843 -7.405270 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=111) 0 -1.472556 4.377966 -6.970503 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=111) 0 -0.713141 2.778439 -8.137208 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=111) 0 -1.171415 2.326986 -9.017238 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=111) 0 0.333852 3.784177 -8.628959 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=111) 0 0.814974 4.273460 -7.782913 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=111) 0 1.100360 3.262889 -9.201612 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=111) 0 -0.136446 4.526680 -9.273279 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=111) 0 -0.069281 1.619766 -7.338305 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=111) 0 0.806391 0.925379 -7.857286 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=112) 0 -0.528457 1.350616 -6.108975 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=112) 0 -1.187919 2.000787 -5.699026 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=112) 0 -0.084030 0.224711 -5.269179 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=112) 0 0.785217 -0.241041 -5.731752 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=112) 0 0.386532 0.782982 -3.914325 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=112) 0 -0.418787 1.349038 -3.444271 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=112) 0 0.660688 -0.042611 -3.255932 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=112) 0 1.529352 1.605989 -4.068557 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=112) 0 1.260415 2.457633 -4.494363 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=112) 0 -1.118258 -0.919845 -5.085153 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=112) 0 -1.246514 -1.387460 -3.956781 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=113) 0 -1.871505 -1.396246 -6.108391 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=113) 0 -1.757802 -1.052326 -7.522685 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=113) 0 -0.751534 -1.235779 -7.898090 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=113) 0 -2.039914 -0.013577 -7.670638 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=113) 0 -2.772243 -1.912833 -8.271646 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=113) 0 -2.329741 -2.873265 -8.539053 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=113) 0 -3.155028 -1.406845 -9.156061 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=113) 0 -3.850670 -2.100878 -7.211506 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=113) 0 -4.520946 -2.926636 -7.447937 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=113) 0 -4.420535 -1.177510 -7.115642 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=113) 0 -2.998799 -2.333437 -5.952823 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=113) 0 -3.580755 -2.063632 -5.070070 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=113) 0 -2.562916 -3.810520 -5.798703 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=113) 0 -2.973435 -4.677932 -6.579287 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=114) 0 -1.710121 -4.122062 -4.817847 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=114) 0 -1.468712 -3.373819 -4.171687 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=114) 0 -1.143748 -5.468361 -4.599363 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=114) 0 -0.601774 -5.763847 -5.496354 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=114) 0 -0.154433 -5.395247 -3.423370 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=114) 0 0.645320 -4.698392 -3.677982 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=114) 0 -0.679081 -4.971474 -2.568766 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=114) 0 0.466151 -6.734468 -2.973235 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=114) 0 0.936728 -6.557823 -2.005944 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=114) 0 -0.310631 -7.473544 -2.792297 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=114) 0 1.546135 -7.294213 -3.922066 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=114) 0 1.937462 -6.485884 -4.542099 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=114) 0 2.376278 -7.660882 -3.316198 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=114) 0 1.096620 -8.437485 -4.835960 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=114) 0 0.235484 -8.116493 -5.421705 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=114) 0 1.913482 -8.660735 -5.527647 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=114) 0 0.762513 -9.658132 -4.070960 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=114) 0 -0.100054 -9.550875 -3.545283 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=114) 0 0.622017 -10.465516 -4.676638 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=114) 0 1.485953 -9.909527 -3.400717 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=114) 0 -2.242709 -6.501391 -4.334165 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=114) 0 -3.050456 -6.327145 -3.429251 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=115) 0 -2.249721 -7.614303 -5.062758 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=115) 0 -1.626701 -7.675921 -5.859688 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=115) 0 -3.160425 -8.736002 -4.792989 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=115) 0 -4.182232 -8.363498 -4.816130 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=115) 0 -3.006233 -9.794537 -5.897722 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=115) 0 -2.756344 -9.310458 -6.843087 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=115) 0 -2.183512 -10.462704 -5.641653 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=115) 0 -4.283353 -10.616118 -6.102482 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=115) 0 -4.029622 -11.516107 -6.665999 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=115) 0 -4.684508 -10.929162 -5.136262 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=115) 0 -5.330792 -9.821969 -6.890254 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=115) 0 -5.178359 -9.677806 -8.124072 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=115) 0 -6.337959 -9.367279 -6.304296 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=115) 0 -2.918803 -9.348255 -3.398077 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=115) 0 -1.775417 -9.608998 -3.022185 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=116) 0 -3.978624 -9.600013 -2.629013 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=116) 0 -4.905062 -9.381947 -2.982823 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=116) 0 -3.904158 -10.321274 -1.353970 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=116) 0 -2.902662 -10.224158 -0.932004 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=116) 0 -4.889924 -9.706637 -0.353107 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=116) 0 -4.502754 -8.733664 -0.056539 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=116) 0 -5.831892 -9.534598 -0.861657 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=116) 0 -5.194226 -10.542123 0.883255 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=116) 0 -4.523118 -10.291851 2.093106 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=116) 0 -3.780577 -9.510082 2.138941 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=116) 0 -4.831498 -11.042903 3.244764 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=116) 0 -4.327915 -10.841024 4.173844 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=116) 0 -5.818908 -12.048051 3.189485 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=116) 0 -6.129276 -12.775898 4.290378 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=116) 0 -5.516952 -12.610972 5.017900 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=116) 0 -6.485748 -12.306703 1.978963 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=116) 0 -7.229716 -13.087330 1.946003 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=116) 0 -6.166779 -11.563295 0.829082 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=116) 0 -6.665775 -11.792510 -0.100276 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=116) 0 -4.191028 -11.808306 -1.556245 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=116) 0 -5.100784 -12.182487 -2.301555 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=117) 0 -3.476493 -12.670532 -0.831716 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=117) 0 -2.731009 -12.309774 -0.251203 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=117) 0 -3.895799 -14.056632 -0.579477 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=117) 0 -4.980488 -14.072301 -0.498206 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=117) 0 -3.494994 -14.995922 -1.731876 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=117) 0 -2.409527 -15.004993 -1.826264 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=117) 0 -3.999297 -16.427230 -1.546451 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=117) 0 -5.088940 -16.444052 -1.511833 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=117) 0 -3.646268 -17.054099 -2.362505 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=117) 0 -3.604405 -16.849024 -0.628597 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=117) 0 -4.067825 -14.549262 -2.949285 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=117) 0 -4.561706 -13.729741 -2.738013 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=117) 0 -3.318404 -14.555924 0.749042 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=117) 0 -2.167890 -14.274398 1.083494 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=118) 0 -4.114563 -15.313944 1.499167 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=118) 0 -5.061999 -15.449447 1.156373 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=118) 0 -3.728364 -16.099522 2.671233 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=118) 0 -2.742512 -16.538142 2.511337 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=118) 0 -3.653889 -15.163880 3.888639 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=118) 0 -4.634091 -14.739569 4.082921 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=118) 0 -3.325579 -15.721963 4.764578 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=118) 0 -2.947710 -14.354433 3.700425 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=118) 0 -4.744660 -17.255374 2.829058 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=118) 0 -4.975700 -18.007364 1.875818 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=119) 0 -5.388397 -17.370883 3.993824 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=119) 0 -5.066504 -16.776252 4.741343 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=119) 0 -6.774885 -17.835725 4.101690 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=119) 0 -6.979153 -18.604225 3.357853 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=119) 0 -6.932478 -18.274871 5.083409 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=119) 0 -7.753935 -16.671252 3.883162 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=119) 0 -7.548098 -15.864017 2.974170 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=120) 0 -8.810505 -16.559239 4.696997 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=120) 0 -8.923771 -17.268215 5.416751 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=120) 0 -9.753064 -15.415358 4.706200 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=120) 0 -9.227817 -14.522448 4.361815 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=120) 0 -10.934685 -15.692619 3.757931 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=120) 0 -11.364068 -16.666995 3.983745 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=120) 0 -11.712193 -14.948031 3.928830 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=120) 0 -10.543758 -15.621637 2.278043 L H-H1 57 0.0000 H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=120) 0 -10.052843 -14.663740 2.083956 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=120) 0 -9.864104 -16.432855 2.026559 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=120) 0 -10.286424 -15.028367 6.092816 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=120) 0 -11.098321 -14.113112 6.182078 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=121) 0 -9.863966 -15.698168 7.161115 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=121) 0 -9.147681 -16.406134 7.044235 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=121) 0 -10.253067 -15.355078 8.530031 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=121) 0 -11.326203 -15.177078 8.532842 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=121) 0 -9.953851 -16.540606 9.467464 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=121) 0 -9.991068 -17.474586 8.904664 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=121) 0 -8.958165 -16.431029 9.900722 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=121) 0 -11.011838 -16.607050 10.573131 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=121) 0 -11.028971 -15.654614 11.096042 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=121) 0 -11.984438 -16.771130 10.110222 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=121) 0 -10.785285 -17.702010 11.608389 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=121) 0 -10.185702 -18.755822 11.289532 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=121) 0 -11.235694 -17.514638 12.763043 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=121) 0 -9.572688 -14.057333 8.998723 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=121) 0 -8.556025 -13.645016 8.438953 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=122) 0 -10.086539 -13.407933 10.042778 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=122) 0 -10.971652 -13.727992 10.433493 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=122) 0 -9.545033 -12.139446 10.524989 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=122) 0 -9.666502 -11.410260 9.727140 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=122) 0 -10.379616 -11.680885 11.713312 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=122) 0 -10.319809 -12.411437 12.520404 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=122) 0 -10.018999 -10.716254 12.068963 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=122) 0 -11.405964 -11.584955 11.371844 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=122) 0 -8.047067 -12.178904 10.870750 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=122) 0 -7.344881 -11.214492 10.585061 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=123) 0 -7.520572 -13.280967 11.407936 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=123) 0 -8.158024 -14.008951 11.712127 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=123) 0 -6.074198 -13.449855 11.602493 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=123) 0 -5.674162 -12.480902 11.900944 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=123) 0 -5.764991 -14.390033 12.774239 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=123) 0 -4.720378 -14.248477 13.057440 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=123) 0 -6.375918 -14.108621 13.633891 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=123) 0 -5.985589 -15.865018 12.454254 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=123) 0 -7.147454 -16.331132 12.533388 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=123) 0 -4.992908 -16.590944 12.211957 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=123) 0 -5.318941 -13.833780 10.316895 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=123) 0 -4.145832 -13.500376 10.204275 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=124) 0 -5.967649 -14.419231 9.303118 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=124) 0 -6.964746 -14.571213 9.394911 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=124) 0 -5.364347 -14.583964 7.966706 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=124) 0 -4.378858 -15.036495 8.077616 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=124) 0 -6.219615 -15.482153 7.056602 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=124) 0 -7.144763 -14.967498 6.802704 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=124) 0 -5.674080 -15.625596 6.125403 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=124) 0 -6.554176 -16.860352 7.617400 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=124) 0 -5.734875 -17.434464 8.364611 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=124) 0 -7.610697 -17.410420 7.233601 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=124) 0 -5.203486 -13.227388 7.261812 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=124) 0 -4.250498 -12.999372 6.511136 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=125) 0 -6.150416 -12.319929 7.499323 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=125) 0 -6.950469 -12.637243 8.042825 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=125) 0 -6.147041 -10.925921 7.050021 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=125) 0 -5.876669 -10.871405 5.997986 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=125) 0 -7.582025 -10.365113 7.207112 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=125) 0 -7.944283 -10.618893 8.201489 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=125) 0 -7.612984 -8.835174 7.084907 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=125) 0 -7.092556 -8.376426 7.925023 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=125) 0 -7.138866 -8.529111 6.156985 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=125) 0 -8.640462 -8.477625 7.092174 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=125) 0 -8.533960 -11.014004 6.173252 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=125) 0 -8.362799 -10.571835 5.190582 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=125) 0 -8.326397 -12.081322 6.095044 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=125) 0 -10.017559 -10.879125 6.540675 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=125) 0 -10.315296 -9.833258 6.583458 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=125) 0 -10.617976 -11.387689 5.787560 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=125) 0 -10.207515 -11.348055 7.505264 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=125) 0 -5.084019 -10.136769 7.824807 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=125) 0 -4.209165 -9.503682 7.229536 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=126) 0 -5.114905 -10.210788 9.156885 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=126) 0 -5.864672 -10.746023 9.586963 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=126) 0 -4.257986 -9.402573 10.028423 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=126) 0 -4.217098 -8.400625 9.602183 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=126) 0 -4.883801 -9.246611 11.429589 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=126) 0 -5.160698 -10.223058 11.824577 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=126) 0 -3.935609 -8.572395 12.422751 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=126) 0 -3.570345 -7.638039 11.999487 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=126) 0 -4.455617 -8.364900 13.359269 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=126) 0 -3.099520 -9.235507 12.640776 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=126) 0 -6.128597 -8.349571 11.331816 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=126) 0 -6.599394 -8.253335 12.308006 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=126) 0 -5.844568 -7.362833 10.974265 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=126) 0 -6.856380 -8.769492 10.640621 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=126) 0 -2.808216 -9.891090 10.034653 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=126) 0 -1.930840 -9.049585 9.877231 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=127) 0 -2.507093 -11.195727 10.089047 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=127) 0 -3.252553 -11.880050 10.183179 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=127) 0 -1.118963 -11.689318 9.997578 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=127) 0 -0.542816 -11.306922 10.842315 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=127) 0 -1.080136 -13.227720 10.011092 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=127) 0 -1.789494 -13.612890 9.283720 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=127) 0 -0.087407 -13.557171 9.707020 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=127) 0 -1.359446 -13.878177 11.347287 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=127) 0 -1.444160 -13.241818 12.388645 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=127) 0 -1.428235 -15.184207 11.368619 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=127) 0 -1.728616 -15.646215 12.218523 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=127) 0 -1.391157 -15.700384 10.501362 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=127) 0 -0.423519 -11.216013 8.713566 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=127) 0 0.755000 -10.869176 8.739874 L N-N--0.415700(PDBName=N,ResName=TRP,ResNum=128) 0 -1.153076 -11.174729 7.596350 L H-H-0.271900(PDBName=H,ResName=TRP,ResNum=128) 0 -2.114449 -11.484737 7.643242 L C-CT--0.027500(PDBName=CA,ResName=TRP,ResNum=128) 0 -0.634776 -10.715607 6.309378 L H-H1-0.112300(PDBName=HA,ResName=TRP,ResNum=128) 0 0.297101 -11.240741 6.096089 L C-CT--0.005000(PDBName=CB,ResName=TRP,ResNum=128) 0 -1.657521 -11.089513 5.236075 L H-HC-0.033900(PDBName=HB2,ResName=TRP,ResNum=128) 0 -1.956883 -12.127477 5.381266 L H-HC-0.033900(PDBName=HB3,ResName=TRP,ResNum=128) 0 -2.541216 -10.469161 5.373847 L C-C*--0.141500(PDBName=CG,ResName=TRP,ResNum=128) 0 -1.194912 -10.952782 3.823481 L C-CW--0.163800(PDBName=CD1,ResName=TRP,ResNum=128) 0 -0.693872 -11.952344 3.066661 L H-H4-0.206200(PDBName=HD1,ResName=TRP,ResNum=128) 0 -0.554205 -12.974708 3.397527 L N-NA--0.341800(PDBName=NE1,ResName=TRP,ResNum=128) 0 -0.380820 -11.474588 1.810591 L H-H-0.341200(PDBName=HE1,ResName=TRP,ResNum=128) 0 0.079156 -12.048907 1.107621 L C-CN-0.138000(PDBName=CE2,ResName=TRP,ResNum=128) 0 -0.689847 -10.138724 1.684053 L C-CA--0.260100(PDBName=CZ2,ResName=TRP,ResNum=128) 0 -0.582794 -9.223396 0.628005 L H-HA-0.157200(PDBName=HZ2,ResName=TRP,ResNum=128) 0 -0.191012 -9.537325 -0.329839 L C-CA--0.113400(PDBName=CH2,ResName=TRP,ResNum=128) 0 -0.983106 -7.893455 0.838297 L H-HA-0.141700(PDBName=HH2,ResName=TRP,ResNum=128) 0 -0.899767 -7.173955 0.035029 L C-CA--0.197200(PDBName=CZ3,ResName=TRP,ResNum=128) 0 -1.475946 -7.500166 2.097426 L H-HA-0.144700(PDBName=HZ3,ResName=TRP,ResNum=128) 0 -1.772450 -6.476406 2.266736 L C-CA--0.238700(PDBName=CE3,ResName=TRP,ResNum=128) 0 -1.577553 -8.425414 3.150377 L H-HA-0.170000(PDBName=HE3,ResName=TRP,ResNum=128) 0 -1.968974 -8.111917 4.105592 L C-CB-0.124300(PDBName=CD2,ResName=TRP,ResNum=128) 0 -1.192939 -9.770266 2.968767 L C-C-0.597300(PDBName=C,ResName=TRP,ResNum=128) 0 -0.335677 -9.207558 6.319725 L O-O--0.567900(PDBName=O,ResName=TRP,ResNum=128) 0 0.704668 -8.779129 5.818968 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=129) 0 -1.198867 -8.400892 6.948431 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=129) 0 -2.041099 -8.819405 7.330243 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=129) 0 -0.990450 -6.960072 7.146952 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=129) 0 -0.710241 -6.512903 6.192777 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=129) 0 -2.317000 -6.334946 7.624584 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=129) 0 -2.698020 -6.923267 8.459316 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=129) 0 -2.127216 -5.327757 7.997389 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=129) 0 -3.392837 -6.261756 6.520699 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=129) 0 -3.406319 -7.190079 5.951200 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=129) 0 -4.782957 -6.061172 7.125117 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=129) 0 -4.829776 -5.131910 7.686388 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=129) 0 -5.530060 -6.039984 6.332596 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=129) 0 -5.014168 -6.893488 7.788657 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=129) 0 -3.105710 -5.103440 5.562139 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=129) 0 -3.062662 -4.163100 6.109135 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=129) 0 -2.162254 -5.266964 5.043335 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=129) 0 -3.896633 -5.036424 4.819237 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=129) 0 0.166690 -6.671463 8.123797 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=129) 0 0.987463 -5.785628 7.862129 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=130) 0 0.313364 -7.469550 9.189726 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=130) 0 -0.408454 -8.172947 9.330898 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=130) 0 1.396767 -7.414294 10.199226 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=130) 0 1.532625 -6.374802 10.502716 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=130) 0 0.990572 -8.224180 11.454904 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=130) 0 0.904062 -9.269610 11.153342 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=130) 0 1.787542 -8.172174 12.198385 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=130) 0 -0.335485 -7.824709 12.136930 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=130) 0 -1.009463 -7.374696 11.411163 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=130) 0 -0.795273 -8.744547 12.500035 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=130) 0 -0.238078 -6.858392 13.323411 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=130) 0 0.422471 -7.271108 14.088034 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=130) 0 0.145769 -5.897578 12.978869 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=130) 0 -1.658773 -6.698924 13.890688 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=130) 0 -2.312676 -6.317901 13.103450 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=130) 0 -2.029722 -7.684361 14.188605 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=130) 0 -1.734883 -5.794196 15.054518 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=130) 0 -1.171217 -6.137543 15.825573 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=130) 0 -1.398223 -4.868213 14.831041 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=130) 0 -2.701546 -5.739033 15.390532 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=130) 0 2.768759 -7.876928 9.653089 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=130) 0 3.666122 -8.198331 10.429850 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=131) 0 2.932723 -7.926314 8.322337 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=131) 0 2.099587 -7.775023 7.773140 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=131) 0 4.184916 -8.212196 7.587401 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=131) 0 5.007241 -8.281912 8.302995 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=131) 0 4.061468 -9.569738 6.869241 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=131) 0 3.161959 -9.576688 6.255397 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=131) 0 4.923786 -9.733257 6.221437 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=131) 0 4.008675 -10.707949 7.889440 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=131) 0 4.977346 -10.761634 8.382081 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=131) 0 3.246321 -10.492267 8.634038 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=131) 0 3.713780 -12.073974 7.269340 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=131) 0 2.973280 -11.966689 6.475905 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=131) 0 4.634148 -12.472561 6.840673 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=131) 0 3.154747 -13.048425 8.314400 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=131) 0 2.147669 -12.723343 8.586840 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=131) 0 3.075545 -14.041261 7.861584 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=131) 0 3.991108 -13.119611 9.534856 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=131) 0 4.084656 -12.217795 9.995632 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=131) 0 3.600638 -13.778382 10.202209 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=131) 0 4.931973 -13.440257 9.323046 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=131) 0 4.592272 -7.103197 6.606573 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=131) 0 5.609757 -7.240487 5.926149 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=132) 0 3.817258 -6.015524 6.521957 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=132) 0 2.999800 -5.991510 7.113266 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=132) 0 4.087096 -4.877706 5.618417 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=132) 0 5.167671 -4.779368 5.495353 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=132) 0 3.489021 -5.183614 4.232867 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=132) 0 3.751112 -4.375068 3.550651 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=132) 0 3.953279 -6.093555 3.853931 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=132) 0 1.959717 -5.359451 4.225220 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=132) 0 1.657834 -6.120449 4.945502 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=132) 0 1.488369 -4.414515 4.495259 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=132) 0 1.462200 -5.769204 2.837737 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=132) 0 0.374324 -5.712492 2.832048 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=132) 0 1.837114 -5.050911 2.108020 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=132) 0 1.873716 -7.141734 2.486039 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=132) 0 1.619026 -7.895019 3.111022 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=132) 0 2.521865 -7.525317 1.404141 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=132) 0 2.901843 -6.707698 0.475634 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=132) 0 2.770297 -5.698828 0.553339 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=132) 0 3.453160 -7.052481 -0.292721 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=132) 0 2.814165 -8.778672 1.241659 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=132) 0 2.565675 -9.416348 1.990994 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=132) 0 3.309677 -9.100641 0.424090 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=132) 0 3.623643 -3.511213 6.125528 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=132) 0 4.135478 -2.490455 5.680633 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=133) 0 2.632480 -3.465781 7.012063 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=133) 0 2.255874 -4.332020 7.361145 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=133) 0 2.095728 -2.205930 7.555431 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=133) 0 2.045013 -1.477877 6.744685 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=133) 0 0.671496 -2.383056 8.085325 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=133) 0 0.332103 -1.437227 8.507157 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=133) 0 -0.289968 -2.798186 6.971141 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=133) 0 -0.046291 -3.787022 6.587656 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=133) 0 -1.309893 -2.804513 7.350845 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=133) 0 -0.215894 -2.084134 6.155086 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=133) 0 0.629467 -3.373665 9.080154 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=133) 0 0.790629 -4.231674 8.659609 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=133) 0 3.018215 -1.601066 8.616784 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=133) 0 3.793650 -2.310910 9.258208 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=134) 0 2.959501 -0.278987 8.781763 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=134) 0 2.251482 0.230777 8.274076 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=134) 0 4.100093 0.512030 9.254536 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=134) 0 3.739666 1.382797 9.802038 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=134) 0 4.720739 -0.084917 9.923104 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=134) 0 4.953291 0.994943 8.068486 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=134) 0 4.531528 0.836136 6.915860 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=135) 0 6.127416 1.608507 8.302844 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=135) 0 6.795295 1.766205 9.586456 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=135) 0 6.768625 0.844667 10.168953 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=135) 0 6.328856 2.582126 10.140551 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=135) 0 8.244327 2.127634 9.253729 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=135) 0 8.831264 1.220044 9.109733 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=135) 0 8.694029 2.752723 10.025235 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=135) 0 8.116876 2.871527 7.925008 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=135) 0 9.034750 2.816970 7.338130 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=135) 0 7.856498 3.908945 8.121719 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=135) 0 6.938485 2.181952 7.231726 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=135) 0 6.352894 2.928655 6.698605 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=135) 0 7.398248 1.108724 6.240959 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=135) 0 7.884419 0.052625 6.647783 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=136) 0 7.266991 1.384534 4.938938 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=136) 0 6.828412 2.261991 4.673438 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=136) 0 7.634700 0.424499 3.891109 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=136) 0 7.081529 -0.503214 4.052609 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=136) 0 7.253314 0.986320 2.520777 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=136) 0 7.742938 1.946328 2.363975 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=136) 0 7.571505 0.288577 1.744181 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=136) 0 6.177777 1.106952 2.441836 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=136) 0 9.129251 0.073882 3.912830 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=136) 0 9.491121 -1.059710 3.605518 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=137) 0 9.988398 1.022324 4.303438 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=137) 0 9.617556 1.920447 4.565631 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=137) 0 11.371398 0.727550 4.645425 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=137) 0 11.706513 -0.103489 4.033843 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=137) 0 12.272429 1.913788 4.294503 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=137) 0 12.094394 2.741698 4.977518 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=137) 0 13.307505 1.594721 4.388656 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=137) 0 12.097654 2.234909 3.268233 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=137) 0 11.458601 0.303194 6.119823 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=137) 0 11.439798 1.145981 7.020851 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=138) 0 11.549965 -1.003335 6.360402 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=138) 0 11.521286 -1.641810 5.568798 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=138) 0 11.703866 -1.597127 7.694688 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=138) 0 10.843288 -1.327281 8.301486 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=138) 0 11.781924 -3.125502 7.582594 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=138) 0 12.703016 -3.389578 7.067378 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=138) 0 11.742947 -3.835456 8.934428 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=138) 0 10.824837 -3.579838 9.462629 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=138) 0 11.776515 -4.914160 8.779634 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=138) 0 12.604225 -3.547616 9.537545 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=138) 0 10.689643 -3.613752 6.837844 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=138) 0 10.967512 -4.474293 6.462674 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=138) 0 12.978248 -1.081955 8.359303 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=138) 0 14.045823 -1.116780 7.749175 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=139) 0 12.907002 -0.607926 9.601767 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=139) 0 12.013295 -0.590360 10.078580 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=139) 0 14.088786 -0.032686 10.266842 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=139) 0 14.637057 0.546339 9.524875 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=139) 0 13.700619 0.954163 11.371490 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=139) 0 13.254568 0.411860 12.204321 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=139) 0 14.911145 1.748218 11.859397 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=139) 0 15.379464 2.269480 11.023751 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=139) 0 14.592539 2.478914 12.598714 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=139) 0 15.636555 1.083018 12.326574 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=139) 0 12.762214 1.886494 10.870816 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=139) 0 11.931160 1.725998 11.360263 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=139) 0 15.026236 -1.130884 10.782025 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=139) 0 14.607119 -2.029226 11.512539 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=140) 0 16.302819 -1.056474 10.398758 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=140) 0 16.551330 -0.282255 9.790787 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=140) 0 17.338738 -2.068111 10.617120 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=140) 0 16.899417 -2.955553 11.070240 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=140) 0 17.938783 -2.466343 9.254446 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=140) 0 18.335478 -1.566432 8.787836 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=140) 0 18.777954 -3.141754 9.431740 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=140) 0 16.983122 -3.127384 8.248622 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=140) 0 16.112545 -2.499835 8.088543 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=140) 0 17.721436 -3.269198 6.917822 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=140) 0 18.673851 -3.769804 7.074751 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=140) 0 17.125371 -3.841731 6.210611 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=140) 0 17.907155 -2.278739 6.504312 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=140) 0 16.524731 -4.504358 8.721200 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=140) 0 15.920068 -4.403110 9.622285 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=140) 0 15.915648 -4.979010 7.953553 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=140) 0 17.390833 -5.125993 8.929159 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=140) 0 18.455206 -1.519850 11.526944 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=140) 0 19.200473 -0.627721 11.102322 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=141) 0 18.632013 -2.036665 12.754502 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=141) 0 17.709191 -2.906264 13.471707 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=141) 0 17.647189 -3.892145 13.008585 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=141) 0 16.724832 -2.439523 13.499669 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=141) 0 18.258302 -3.025137 14.894952 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=141) 0 18.886734 -3.911310 14.976514 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=141) 0 17.458936 -3.051211 15.636290 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=141) 0 19.135017 -1.787783 15.049050 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=141) 0 19.908964 -1.937929 15.802303 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=141) 0 18.513581 -0.928229 15.306134 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=141) 0 19.709006 -1.602526 13.642194 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=141) 0 19.921957 -0.546114 13.489674 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=141) 0 21.022042 -2.379110 13.438364 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=141) 0 22.062464 -1.932209 13.927871 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=142) 0 20.992171 -3.523120 12.743814 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=142) 0 20.105257 -3.830270 12.372470 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=142) 0 22.098714 -4.484411 12.666089 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=142) 0 23.038679 -3.944051 12.784102 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=142) 0 21.977849 -5.461079 13.842262 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=142) 0 22.932784 -5.973951 13.966732 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=142) 0 21.774922 -4.914589 14.765310 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=142) 0 20.884886 -6.498177 13.598571 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=142) 0 21.212384 -7.569515 13.042797 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=142) 0 19.712509 -6.265973 13.964285 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=142) 0 22.172395 -5.258785 11.328318 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=142) 0 21.220134 -5.301117 10.543065 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=143) 0 23.322718 -5.892965 11.076357 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=143) 0 24.065418 -5.844437 11.768644 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=143) 0 23.621232 -6.610141 9.835005 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=143) 0 23.372667 -5.973098 8.987482 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=143) 0 24.693195 -6.804090 9.812086 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=143) 0 22.908290 -7.955700 9.647608 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=143) 0 22.752443 -8.384868 8.500874 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=144) 0 22.450774 -8.616446 10.716042 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=144) 0 22.504641 -8.172793 11.626233 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=144) 0 21.714904 -9.880638 10.627690 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=144) 0 22.182836 -10.504294 9.870743 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=144) 0 21.812730 -10.655751 11.944369 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=144) 0 21.298642 -10.124926 12.744466 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=144) 0 21.349214 -11.635646 11.822789 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=144) 0 22.858813 -10.798621 12.208800 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=144) 0 20.256799 -9.632859 10.221553 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=144) 0 19.712707 -10.349958 9.377630 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=145) 0 19.634434 -8.578837 10.758099 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=145) 0 20.114015 -8.053789 11.488131 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=145) 0 18.330255 -8.113623 10.291094 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=145) 0 17.609330 -8.927123 10.390047 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=145) 0 17.876512 -6.955328 11.187795 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=145) 0 18.581065 -6.124695 11.123904 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=145) 0 16.887678 -6.616128 10.878485 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=145) 0 17.818376 -7.291376 12.223562 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=145) 0 18.387835 -7.719055 8.801278 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=145) 0 17.524194 -8.122260 8.020578 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=146) 0 19.446393 -7.009960 8.385970 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=146) 0 20.104330 -6.681646 9.083349 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=146) 0 19.648824 -6.596543 6.996669 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=146) 0 18.801740 -5.979159 6.697729 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=146) 0 20.921292 -5.742855 6.926792 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=146) 0 21.788305 -6.331688 7.220388 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=146) 0 21.075487 -5.392867 5.906913 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=146) 0 20.826973 -4.884423 7.592221 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=146) 0 19.698451 -7.779893 6.011588 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=146) 0 18.949318 -7.796752 5.034816 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=147) 0 20.511542 -8.808012 6.276509 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=147) 0 21.113421 -8.760016 7.090352 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=147) 0 20.621737 -9.955871 5.360487 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=147) 0 20.797759 -9.567699 4.356556 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=147) 0 21.823086 -10.838861 5.711804 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=147) 0 21.898224 -11.628583 4.963131 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=147) 0 22.730335 -10.237747 5.670915 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=147) 0 21.712743 -11.472818 7.099129 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=147) 0 21.941646 -10.711866 7.835297 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=147) 0 20.703104 -11.834989 7.281968 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=147) 0 22.666113 -12.644665 7.257089 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=147) 0 22.185714 -13.800008 7.240987 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=147) 0 23.886044 -12.415354 7.418144 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=147) 0 19.349727 -10.815068 5.283444 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=147) 0 19.121847 -11.469185 4.266318 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=148) 0 18.513628 -10.824956 6.328618 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=148) 0 18.772375 -10.299153 7.156322 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=148) 0 17.251400 -11.574838 6.333845 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=148) 0 17.378403 -12.460953 5.712932 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=148) 0 16.924489 -12.068647 7.739496 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=148) 0 17.823490 -12.480535 8.199394 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=148) 0 16.553698 -11.241466 8.347077 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=148) 0 15.948729 -13.088852 7.644212 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=148) 0 16.426089 -13.951032 7.633623 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=148) 0 16.093247 -10.767108 5.740630 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=148) 0 15.125002 -11.345306 5.237194 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=149) 0 16.196383 -9.434556 5.711340 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=149) 0 16.955430 -8.991789 6.221208 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=149) 0 15.365427 -8.593403 4.850425 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=149) 0 14.324245 -8.890918 4.979023 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=149) 0 15.488755 -7.129561 5.302037 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=149) 0 15.281856 -7.108496 6.373371 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=149) 0 16.507060 -6.767569 5.158466 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=149) 0 14.493369 -6.196118 4.584535 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=149) 0 13.584947 -6.746965 4.339844 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=149) 0 14.113697 -5.051170 5.514748 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=149) 0 14.980179 -4.436891 5.739358 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=149) 0 13.346517 -4.445524 5.038051 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=149) 0 13.700144 -5.450243 6.440463 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=149) 0 15.070701 -5.585349 3.304496 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=149) 0 15.276325 -6.356783 2.567218 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=149) 0 14.346889 -4.896592 2.870316 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=149) 0 15.987931 -5.040705 3.523862 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=149) 0 15.729157 -8.827160 3.378205 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=149) 0 14.840495 -9.128602 2.581037 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=150) 0 17.024188 -8.821430 3.040247 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=150) 0 17.700463 -8.540906 3.746154 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=150) 0 17.523181 -9.176158 1.696485 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=150) 0 17.064187 -8.502756 0.980291 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=150) 0 19.052275 -8.980491 1.614465 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=150) 0 19.521538 -9.455198 2.474051 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=150) 0 19.678921 -9.574272 0.347026 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=150) 0 19.134788 -9.231814 -0.532460 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=150) 0 20.724059 -9.273782 0.268783 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=150) 0 19.643395 -10.662968 0.385584 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=150) 0 19.382151 -7.483741 1.639098 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=150) 0 18.989010 -7.029285 2.544390 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=150) 0 20.462917 -7.337763 1.624641 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=150) 0 18.940174 -6.987105 0.776119 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=150) 0 17.106437 -10.590041 1.276309 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=150) 0 16.815888 -10.824005 0.105901 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=151) 0 16.998534 -11.529505 2.215886 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=151) 0 17.377773 -11.327390 3.133488 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=151) 0 16.531912 -12.890404 1.935640 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=151) 0 17.077262 -13.249636 1.062965 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=151) 0 16.863045 -13.783496 3.142527 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=151) 0 17.804542 -13.462743 3.570013 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=151) 0 16.101438 -13.653621 3.909301 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=151) 0 16.991971 -15.272969 2.807035 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=151) 0 17.224783 -15.815736 3.723130 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=151) 0 16.039799 -15.645491 2.426922 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=151) 0 18.104129 -15.529139 1.788483 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=151) 0 19.260756 -15.110839 2.026956 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=151) 0 17.812239 -16.114786 0.717902 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=151) 0 15.030008 -12.981809 1.613550 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=151) 0 14.605968 -13.942207 0.968399 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=152) 0 14.210381 -12.017025 2.045907 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=152) 0 14.629493 -11.217319 2.505674 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=152) 0 12.739440 -12.146756 2.063659 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=152) 0 12.531202 -13.158009 2.405498 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=152) 0 12.124954 -11.236511 3.130596 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=152) 0 11.054846 -11.438865 3.199946 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=152) 0 12.574784 -11.476365 4.093612 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=152) 0 12.313723 -9.858630 2.866539 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=152) 0 13.251923 -9.674495 2.651238 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=152) 0 12.034353 -12.019198 0.697146 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=152) 0 10.816158 -12.193105 0.601466 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=153) 0 12.794286 -11.772689 -0.369669 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=153) 0 13.788462 -11.661846 -0.216502 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=153) 0 12.355123 -11.721785 -1.770592 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=153) 0 11.612447 -12.492676 -1.963552 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=153) 0 11.730037 -10.345216 -2.012793 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=153) 0 10.766086 -10.294334 -1.504175 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=153) 0 12.396653 -9.611956 -1.564386 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=153) 0 11.565642 -9.978024 -3.368719 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=153) 0 12.106424 -9.163604 -3.460402 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=153) 0 13.566252 -11.957036 -2.679931 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=153) 0 14.702357 -11.714097 -2.269588 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=154) 0 13.367926 -12.387470 -3.927304 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=154) 0 12.420291 -12.581278 -4.236310 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=154) 0 14.465099 -12.551583 -4.906396 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=154) 0 15.245533 -13.159270 -4.454292 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=154) 0 13.959203 -13.291966 -6.146618 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=154) 0 13.150174 -12.720672 -6.601152 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=154) 0 14.767972 -13.376397 -6.874010 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=154) 0 13.481127 -14.700913 -5.790544 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=154) 0 14.340718 -15.297801 -5.482761 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=154) 0 12.774157 -14.670190 -4.960002 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=154) 0 12.788752 -15.336967 -6.985869 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=154) 0 13.423469 -16.148231 -7.699069 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=154) 0 11.587711 -15.050322 -7.206389 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=154) 0 15.120852 -11.221436 -5.320944 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=154) 0 16.171718 -11.219941 -5.961970 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=155) 0 14.499863 -10.110024 -4.917468 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=155) 0 13.625901 -10.260034 -4.434496 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=155) 0 14.918198 -8.711307 -5.056425 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=155) 0 15.989637 -8.654138 -5.238911 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=155) 0 14.156877 -8.063774 -6.227636 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=155) 0 13.087408 -8.195048 -6.060729 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=155) 0 14.427574 -6.560535 -6.323595 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=155) 0 15.491454 -6.376899 -6.474952 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=155) 0 13.841802 -6.159758 -7.143847 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=155) 0 14.097820 -6.047827 -5.421747 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=155) 0 14.509490 -8.710365 -7.575189 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=155) 0 14.284057 -9.775657 -7.552948 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=155) 0 13.899271 -8.273799 -8.363908 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=155) 0 15.566338 -8.574427 -7.797985 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=155) 0 14.576027 -7.968898 -3.758652 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=155) 0 13.458233 -8.118500 -3.265146 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=156) 0 15.481678 -7.142585 -3.234146 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=156) 0 16.371436 -7.050232 -3.717098 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=156) 0 15.297292 -6.311717 -2.035990 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=156) 0 14.246633 -6.053653 -1.917103 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=156) 0 15.726532 -7.133089 -0.817405 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=156) 0 16.777941 -7.402983 -0.917239 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=156) 0 15.582621 -6.549675 0.092521 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=156) 0 15.125219 -8.041223 -0.750791 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=156) 0 16.099592 -4.996904 -2.134178 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=156) 0 16.984241 -4.872344 -2.979705 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=157) 0 15.839357 -4.008258 -1.272359 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=157) 0 15.085642 -4.132333 -0.598162 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=157) 0 16.600129 -2.738144 -1.244227 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=157) 0 17.573701 -2.900410 -1.702466 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=157) 0 15.880729 -1.624246 -2.042945 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=157) 0 14.976346 -1.334774 -1.508808 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=157) 0 16.773937 -0.390194 -2.210984 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=157) 0 17.677875 -0.654674 -2.759218 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=157) 0 16.236476 0.381969 -2.761483 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=157) 0 17.050885 0.009796 -1.238636 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=157) 0 15.487895 -2.036086 -3.468594 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=157) 0 14.782987 -2.860092 -3.430687 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=157) 0 15.001361 -1.204500 -3.978687 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=157) 0 16.368664 -2.345805 -4.028903 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=157) 0 16.848511 -2.283000 0.196401 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=157) 0 15.951019 -2.367729 1.028726 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=158) 0 18.038613 -1.757258 0.506000 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=158) 0 18.748068 -1.705286 -0.220206 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=158) 0 18.326863 -1.103530 1.794654 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=158) 0 17.387634 -0.989159 2.322047 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=158) 0 19.229456 -1.967082 2.709874 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=158) 0 20.169749 -2.155083 2.193761 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=158) 0 19.535430 -1.220570 4.027606 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=158) 0 18.611950 -0.999404 4.562086 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=158) 0 20.192337 -1.809181 4.664743 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=158) 0 20.061876 -0.286749 3.831853 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=158) 0 18.546590 -3.323736 3.009930 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=158) 0 17.614687 -3.142667 3.546820 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=158) 0 18.302165 -3.823743 2.073076 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=158) 0 19.397350 -4.307681 3.819409 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=158) 0 18.838289 -5.232341 3.952945 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=158) 0 20.327307 -4.520667 3.290938 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=158) 0 19.618826 -3.905973 4.804675 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=158) 0 18.879811 0.308986 1.572628 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=158) 0 19.788238 0.509773 0.767653 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=159) 0 18.334242 1.284444 2.299155 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=159) 0 17.566778 1.032154 2.913741 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=159) 0 18.835723 2.654692 2.391505 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=159) 0 19.399964 2.905164 1.494860 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=159) 0 18.002667 3.349846 2.470066 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=159) 0 19.728872 2.839327 3.615558 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=159) 0 19.387733 2.406755 4.714860 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=160) 0 20.864160 3.496110 3.421965 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=160) 0 21.032654 3.890321 2.502661 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=160) 0 21.931960 3.683292 4.396460 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=160) 0 21.677268 3.203943 5.342095 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=160) 0 23.215194 3.035259 3.852190 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=160) 0 23.473594 3.492482 2.895397 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=160) 0 24.033943 3.245718 4.537105 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=160) 0 23.119795 1.535073 3.660151 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=160) 0 22.578339 1.008864 2.473420 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=160) 0 22.220609 1.672821 1.699902 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=160) 0 22.484252 -0.380729 2.298037 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=160) 0 22.032155 -0.772859 1.403639 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=160) 0 22.951894 -1.253998 3.292365 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=160) 0 22.877740 -2.323608 3.153169 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=160) 0 23.501577 -0.729680 4.473357 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=160) 0 23.862901 -1.395748 5.237444 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=160) 0 23.577386 0.660832 4.662352 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=160) 0 23.991325 1.058308 5.576002 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=160) 0 22.089685 5.182481 4.639713 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=160) 0 22.757109 5.876188 3.872655 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=161) 0 21.432549 5.683709 5.685297 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=161) 0 20.945940 5.041845 6.304192 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=161) 0 21.356962 7.107836 5.999155 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=161) 0 22.154667 7.636280 5.480838 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=161) 0 20.029367 7.688902 5.504798 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=161) 0 19.199818 7.185730 6.004678 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=161) 0 20.004054 8.741039 5.788624 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=161) 0 19.851564 7.590028 4.004977 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=161) 0 20.607303 8.421427 3.158612 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=161) 0 21.285554 9.147509 3.581562 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=161) 0 20.516726 8.279086 1.765048 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=161) 0 21.133405 8.889547 1.119391 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=161) 0 19.645222 7.322904 1.218938 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=161) 0 19.584857 7.204013 0.150770 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=161) 0 18.873887 6.503003 2.060690 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=161) 0 18.214907 5.762067 1.636307 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=161) 0 18.983000 6.629226 3.455198 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=161) 0 18.412249 5.980709 4.103523 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=161) 0 21.531680 7.332764 7.496792 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=161) 0 20.600562 7.148979 8.280647 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=162) 0 22.734176 7.751944 7.898174 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=162) 0 23.437055 7.923043 7.178124 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=162) 0 23.064337 8.079606 9.291276 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=162) 0 22.869084 7.211394 9.919369 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=162) 0 24.565179 8.387836 9.355771 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=162) 0 25.119001 7.510706 9.014832 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=162) 0 24.790078 9.220133 8.685620 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=162) 0 25.024761 8.747778 10.772891 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=162) 0 24.538295 9.676527 11.064480 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=162) 0 24.725249 7.966449 11.473313 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=162) 0 26.551117 8.910995 10.821318 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=162) 0 26.995676 7.937673 11.028392 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=162) 0 26.926776 9.246543 9.854883 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=162) 0 26.997979 9.913849 11.888813 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=162) 0 26.617407 9.602005 12.866272 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=162) 0 28.090368 9.906579 11.935870 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=162) 0 26.523075 11.281033 11.569205 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=162) 0 25.514009 11.353073 11.671779 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=162) 0 26.918477 11.970973 12.201692 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=162) 0 26.738098 11.546544 10.610290 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=162) 0 22.182336 9.214333 9.831015 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=162) 0 21.827340 9.204786 11.008740 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=163) 0 21.766344 10.140419 8.968897 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=163) 0 22.134483 10.107773 8.024521 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=163) 0 20.727217 11.130723 9.233828 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=163) 0 20.511462 11.141500 10.302414 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=163) 0 21.244535 12.523511 8.858993 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=163) 0 22.285401 12.615393 9.175922 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=163) 0 21.207042 12.678615 7.780684 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=163) 0 20.416767 13.576713 9.580247 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=163) 0 19.191299 13.667290 9.356165 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=163) 0 20.977228 14.210311 10.503712 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=163) 0 19.426376 10.768381 8.498635 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=163) 0 19.262618 11.036328 7.306589 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=164) 0 18.484556 10.145662 9.206360 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=164) 0 18.652819 9.979261 10.188244 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=164) 0 17.233407 9.640234 8.616797 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=164) 0 17.490274 9.272581 7.627738 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=164) 0 16.738726 8.402173 9.389970 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=164) 0 17.530876 7.653292 9.346820 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=164) 0 16.473230 8.705128 10.860767 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=164) 0 15.739551 9.506289 10.949847 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=164) 0 16.100239 7.810893 11.355996 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=164) 0 17.401458 8.992307 11.346473 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=164) 0 15.487462 7.766219 8.782271 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=164) 0 15.624210 7.647909 7.710005 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=164) 0 15.317500 6.788237 9.234227 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=164) 0 14.618643 8.394534 8.966584 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=164) 0 16.170506 10.733036 8.388642 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=164) 0 15.251513 10.541404 7.592468 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=165) 0 16.310901 11.917866 8.990573 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=165) 0 17.057575 12.019583 9.669519 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=165) 0 15.510462 13.113232 8.659552 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=165) 0 14.501443 12.797078 8.398271 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=165) 0 15.398348 14.049616 9.880031 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=165) 0 16.284150 13.971234 10.507449 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=165) 0 15.345580 15.082280 9.533031 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=165) 0 14.137921 13.802710 10.718358 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=165) 0 14.088039 14.566725 11.496975 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=165) 0 13.262541 13.928366 10.079514 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=165) 0 14.094134 12.418350 11.367391 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=165) 0 14.465067 12.294600 12.558908 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=165) 0 13.617383 11.458957 10.718073 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=165) 0 16.021445 13.880507 7.423268 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=165) 0 15.314404 14.763376 6.919073 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=166) 0 17.212141 13.558037 6.907755 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=166) 0 17.768638 12.867149 7.397019 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=166) 0 17.779478 14.187952 5.706624 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=166) 0 17.790484 15.264453 5.877539 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=166) 0 19.233362 13.752469 5.490259 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=166) 0 19.674947 14.375266 4.711091 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=166) 0 19.798313 13.903559 6.410732 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=166) 0 19.322930 12.397249 5.088851 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=166) 0 19.220855 11.846026 5.900402 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=166) 0 16.956444 13.933935 4.435599 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=166) 0 16.218236 12.949598 4.334674 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=167) 0 17.105904 14.827603 3.450020 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=167) 0 17.664134 15.653825 3.628823 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=167) 0 16.404101 14.806043 2.158385 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=167) 0 15.376291 15.143731 2.294101 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=167) 0 17.118104 15.750455 1.173139 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=167) 0 18.181534 15.506583 1.133277 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=167) 0 16.701177 15.585790 0.177662 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=167) 0 16.965155 17.226268 1.525865 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=167) 0 17.210115 17.600369 2.696581 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=167) 0 16.561629 18.006012 0.637758 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=167) 0 16.368351 13.407460 1.538736 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=167) 0 15.296016 12.873312 1.261842 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=168) 0 17.548164 12.807532 1.380022 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=168) 0 18.370935 13.336392 1.630167 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=168) 0 17.772369 11.519412 0.726336 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=168) 0 17.347866 11.545543 -0.276467 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=168) 0 19.277911 11.314364 0.604709 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=168) 0 19.739079 11.339841 1.594098 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=168) 0 19.480800 10.345979 0.149474 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=168) 0 19.815908 12.348019 -0.199768 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=168) 0 20.771289 12.135239 -0.302365 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=168) 0 17.158869 10.336962 1.473217 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=168) 0 16.648451 9.413073 0.842982 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=169) 0 17.139843 10.375676 2.805742 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=169) 0 17.515132 11.187485 3.279392 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=169) 0 16.528931 9.329008 3.617285 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=169) 0 16.888259 8.356239 3.280719 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=169) 0 16.973289 9.550001 5.057523 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=169) 0 16.593245 10.503876 5.421816 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=169) 0 16.592439 8.739919 5.677990 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=169) 0 18.057759 9.575783 5.110079 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=169) 0 14.998229 9.337785 3.502193 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=169) 0 14.367344 8.290210 3.341371 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=170) 0 14.395766 10.531730 3.514496 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=170) 0 14.976788 11.354061 3.666981 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=170) 0 12.949845 10.713471 3.333694 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=170) 0 12.429202 9.939858 3.893795 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=170) 0 12.550211 12.074051 3.919952 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=170) 0 13.202320 12.835146 3.491380 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=170) 0 11.530644 12.311555 3.628104 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=170) 0 12.643579 12.131811 5.460204 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=170) 0 13.617525 11.767049 5.786252 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=170) 0 12.561728 13.174708 5.762657 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=170) 0 11.523936 11.354514 6.177168 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=170) 0 10.564963 11.760704 5.850540 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=170) 0 11.552096 10.299164 5.912724 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=170) 0 11.618416 11.517437 7.702146 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=170) 0 11.881919 12.556082 7.921130 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=170) 0 10.637796 11.334459 8.150328 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=170) 0 12.612534 10.609785 8.320811 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=170) 0 13.486272 10.575186 7.804545 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=170) 0 12.867649 10.942673 9.251810 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=170) 0 12.264498 9.665184 8.462039 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=170) 0 12.512976 10.516842 1.874084 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=170) 0 11.433001 9.971842 1.651443 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=171) 0 13.369750 10.826684 0.897062 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=171) 0 14.201222 11.349571 1.150427 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=171) 0 13.213141 10.426727 -0.511615 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=171) 0 12.260274 10.792314 -0.895308 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=171) 0 14.359751 11.016560 -1.346191 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=171) 0 15.294987 10.865020 -0.814260 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=171) 0 14.438856 10.470318 -2.285825 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=171) 0 14.208702 12.511142 -1.651834 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=171) 0 13.828181 13.036268 -0.783674 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=171) 0 15.195917 12.913540 -1.874308 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=171) 0 13.292398 12.805651 -2.829023 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=171) 0 12.434588 12.024267 -3.219995 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=171) 0 13.475203 13.922779 -3.478419 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=171) 0 12.839239 14.154687 -4.230540 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=171) 0 14.172203 14.586238 -3.148974 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=171) 0 13.235650 8.902969 -0.682031 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=171) 0 12.421878 8.344545 -1.416068 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=172) 0 14.142337 8.216487 0.017216 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=172) 0 14.848611 8.726389 0.538160 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=172) 0 14.228376 6.760091 -0.002217 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=172) 0 14.225669 6.431481 -1.035025 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=172) 0 15.551351 6.324893 0.631361 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=172) 0 16.376275 6.640495 -0.008904 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=172) 0 15.673632 6.816897 1.596057 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=172) 0 15.619890 4.831157 0.831688 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=172) 0 15.815265 3.979930 -0.268699 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=172) 0 15.967018 4.392311 -1.252832 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=172) 0 15.779825 2.588995 -0.094055 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=172) 0 15.907727 1.939385 -0.943665 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=172) 0 15.543924 2.046938 1.179062 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=172) 0 15.511890 0.974216 1.315525 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=172) 0 15.330831 2.899169 2.273752 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=172) 0 15.130982 2.482864 3.245292 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=172) 0 15.373485 4.290229 2.103894 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=172) 0 15.189344 4.944342 2.942263 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=172) 0 13.009218 6.090514 0.643422 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=172) 0 12.450861 5.159277 0.061972 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=173) 0 12.521386 6.618901 1.770241 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=173) 0 13.058799 7.343362 2.236058 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=173) 0 11.214626 6.242888 2.317263 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=173) 0 11.221914 5.173423 2.530818 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=173) 0 10.966279 7.017334 3.625647 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=173) 0 11.318823 8.039370 3.502251 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=173) 0 9.894277 7.065617 3.824859 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=173) 0 11.667737 6.364214 4.831728 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=173) 0 12.635306 5.969573 4.522985 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=173) 0 11.901487 7.378164 5.950626 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=173) 0 10.954106 7.819788 6.259275 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=173) 0 12.364087 6.880348 6.803669 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=173) 0 12.580557 8.152476 5.596163 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=173) 0 10.817165 5.220751 5.390390 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=173) 0 10.602854 4.495603 4.608097 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=173) 0 11.355511 4.726133 6.199533 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=173) 0 9.875293 5.609679 5.777264 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=173) 0 10.098753 6.469325 1.284247 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=173) 0 9.301712 5.567106 1.054524 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=174) 0 10.087976 7.600352 0.574164 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=174) 0 10.753002 8.328320 0.809215 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=174) 0 9.118013 7.862239 -0.495694 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=174) 0 8.128507 7.695623 -0.070595 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=174) 0 9.221578 9.336784 -0.938215 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=174) 0 10.203005 9.735698 -0.688418 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=174) 0 9.115913 9.409851 -2.017088 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=174) 0 8.145050 10.218466 -0.290036 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=174) 0 8.147656 10.068923 0.789496 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=174) 0 8.375050 11.264701 -0.489036 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=174) 0 6.757518 9.907726 -0.840140 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=174) 0 6.023234 9.073819 -0.326220 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=174) 0 6.350062 10.492090 -1.942427 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=174) 0 5.409916 10.302430 -2.274293 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=174) 0 6.923522 11.183758 -2.419580 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=174) 0 9.213493 6.892081 -1.693025 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=174) 0 8.193246 6.653643 -2.342735 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=175) 0 10.374128 6.288876 -1.970498 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=175) 0 11.194437 6.568226 -1.445788 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=175) 0 10.508714 5.205713 -2.951669 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=175) 0 9.920860 5.452139 -3.835895 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=175) 0 11.974716 5.093867 -3.377678 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=175) 0 12.582129 4.745391 -2.542738 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=175) 0 12.059788 4.382926 -4.200477 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=175) 0 12.339352 6.064874 -3.705040 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=175) 0 9.976533 3.864117 -2.418509 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=175) 0 9.198293 3.196967 -3.101658 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=176) 0 10.332027 3.501904 -1.181588 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=176) 0 10.980288 4.093708 -0.672225 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=176) 0 9.825172 2.303372 -0.510616 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=176) 0 10.129945 1.421250 -1.071459 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=176) 0 10.441623 2.253507 0.892872 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=176) 0 10.092776 3.093081 1.493122 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=176) 0 10.147536 1.325319 1.379341 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=176) 0 11.528108 2.298584 0.825486 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=176) 0 8.290804 2.303678 -0.435955 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=176) 0 7.625770 1.324741 -0.759660 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=177) 0 7.718105 3.452446 -0.082521 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=177) 0 8.335108 4.212788 0.191736 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=177) 0 6.278008 3.681805 0.031531 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=177) 0 5.844899 2.849388 0.584773 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=177) 0 6.082021 4.978403 0.844654 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=177) 0 6.668495 5.767742 0.372654 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=177) 0 5.051130 5.310407 0.801370 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=177) 0 6.510861 4.869264 2.326009 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=177) 0 7.534766 4.505714 2.390909 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=177) 0 6.492908 5.874630 2.751769 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=177) 0 5.652067 3.959232 3.211527 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=177) 0 4.734358 3.252275 2.738022 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=177) 0 5.863557 3.939406 4.446007 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=177) 0 5.539033 3.698185 -1.328442 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=177) 0 4.313044 3.836347 -1.355968 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=178) 0 6.251712 3.529924 -2.450718 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=178) 0 7.256389 3.439572 -2.355813 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=178) 0 5.697715 3.368060 -3.799464 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=178) 0 4.628008 3.582771 -3.777415 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=178) 0 6.357349 4.414817 -4.701983 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=178) 0 7.438038 4.275865 -4.716735 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=178) 0 5.975649 4.324357 -5.719212 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=178) 0 6.122199 5.405873 -4.320088 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=178) 0 5.846048 1.938020 -4.369206 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=178) 0 5.042395 1.536300 -5.220875 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=179) 0 6.805137 1.137499 -3.883770 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=179) 0 7.421561 1.509149 -3.169200 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=179) 0 6.997893 -0.275687 -4.263724 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=179) 0 6.130459 -0.606821 -4.830965 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=179) 0 8.219484 -0.469206 -5.202978 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=179) 0 9.123413 -0.189858 -4.662945 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=179) 0 8.342046 -1.937177 -5.661936 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=179) 0 7.556623 -2.170732 -6.377300 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=179) 0 9.306130 -2.099933 -6.135871 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=179) 0 8.276233 -2.630129 -4.828886 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=179) 0 8.110523 0.427431 -6.460354 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=179) 0 7.148296 0.257559 -6.943549 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=179) 0 8.150432 1.470835 -6.150770 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=179) 0 9.214830 0.207340 -7.505797 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=179) 0 9.142435 -0.785894 -7.946564 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=179) 0 9.100290 0.926365 -8.312487 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=179) 0 10.191671 0.339510 -7.043506 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=179) 0 7.017907 -1.157417 -3.003494 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=179) 0 8.041926 -1.687291 -2.587648 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=180) 0 5.836440 -1.373436 -2.424977 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=180) 0 5.028899 -0.887697 -2.796694 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=180) 0 5.603032 -2.378353 -1.375342 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=180) 0 6.316443 -2.216222 -0.564594 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=180) 0 4.183855 -2.132515 -0.845772 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=180) 0 4.146309 -1.108488 -0.477481 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=180) 0 3.472398 -2.208771 -1.667378 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=180) 0 3.740031 -3.074674 0.273471 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=180) 0 4.072957 -2.802924 1.449313 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=180) 0 2.968528 -4.017539 -0.013433 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=180) 0 5.801552 -3.823079 -1.889833 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=180) 0 5.901866 -4.768511 -1.108492 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=181) 0 5.885109 -4.000546 -3.211611 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=181) 0 5.766394 -3.177314 -3.790699 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=181) 0 6.158641 -5.253196 -3.923638 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=181) 0 5.708699 -6.050914 -3.351058 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=181) 0 5.414016 -5.290345 -5.274256 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=181) 0 5.752499 -6.156061 -5.844705 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=181) 0 4.356000 -5.452098 -5.062845 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=181) 0 5.509992 -4.031328 -6.143745 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=181) 0 5.147356 -2.924955 -5.671740 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=181) 0 5.817579 -4.163256 -7.351074 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=181) 0 7.649575 -5.649150 -3.956722 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=181) 0 8.023795 -6.647117 -4.579188 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=182) 0 8.492886 -4.928556 -3.214289 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=182) 0 8.112686 -4.126687 -2.720501 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=182) 0 9.875047 -5.280859 -2.865636 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=182) 0 10.055226 -6.326395 -3.103274 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=182) 0 10.857174 -4.414767 -3.695895 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=182) 0 10.604384 -3.368014 -3.537600 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=182) 0 12.309208 -4.627943 -3.246353 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=182) 0 12.569367 -5.679029 -3.347409 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=182) 0 12.982922 -4.032331 -3.853196 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=182) 0 12.440374 -4.303416 -2.215669 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=182) 0 10.737480 -4.719220 -5.208133 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=182) 0 10.994168 -5.764951 -5.375222 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=182) 0 9.705526 -4.575696 -5.523626 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=182) 0 11.607325 -3.838796 -6.120868 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=182) 0 12.653909 -4.130110 -6.052011 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=182) 0 11.284595 -3.962134 -7.155003 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=182) 0 11.506702 -2.790546 -5.839662 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=182) 0 10.047507 -5.069716 -1.343485 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=182) 0 9.492490 -4.106326 -0.813931 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=183) 0 10.823679 -5.893990 -0.609794 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=183) 0 11.300017 -7.218808 -0.936211 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=183) 0 12.310581 -7.144419 -1.331976 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=183) 0 10.646513 -7.732032 -1.635074 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=183) 0 11.327247 -7.955453 0.401552 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=183) 0 12.019310 -8.794929 0.396349 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=183) 0 10.322037 -8.283593 0.668977 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=183) 0 11.792898 -6.870492 1.364644 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=183) 0 12.883608 -6.844673 1.370069 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=183) 0 11.418311 -7.045480 2.373181 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=183) 0 11.211862 -5.584130 0.760481 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=183) 0 10.322827 -5.301899 1.325085 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=183) 0 12.223918 -4.438194 0.761812 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=183) 0 13.339925 -4.573062 0.247378 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=184) 0 11.835206 -3.316992 1.359291 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=184) 0 10.907587 -3.295493 1.765204 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=184) 0 12.721470 -2.188908 1.623052 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=184) 0 13.613961 -2.284049 1.012060 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=184) 0 12.051987 -0.865071 1.236455 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=184) 0 11.017859 -0.879256 1.575346 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=184) 0 12.555093 -0.059221 1.772122 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=184) 0 12.068363 -0.521251 -0.241727 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=184) 0 11.168154 -1.135525 -1.127064 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=184) 0 10.479740 -1.885048 -0.769207 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=184) 0 11.116189 -0.731465 -2.470652 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=184) 0 10.404440 -1.191642 -3.135330 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=184) 0 11.940083 0.304819 -2.933761 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=184) 0 11.840652 0.649375 -3.950041 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=184) 0 12.853918 0.914323 -2.060005 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=184) 0 13.479364 1.724212 -2.405834 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=184) 0 12.915428 0.495847 -0.719718 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=184) 0 13.575783 0.997378 -0.038226 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=184) 0 13.141384 -2.191549 3.095575 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=184) 0 12.317276 -2.412985 3.981404 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=185) 0 14.407396 -1.883131 3.366719 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=185) 0 15.042846 -1.784189 2.580911 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=185) 0 14.934456 -1.613257 4.705107 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=185) 0 14.126687 -1.647409 5.430527 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=185) 0 15.661998 -2.377027 4.970032 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=185) 0 15.620033 -0.250315 4.785660 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=185) 0 16.093349 0.259578 3.774837 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=186) 0 15.710823 0.347173 5.971047 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=186) 0 15.284578 -0.109162 6.774237 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=186) 0 16.477320 1.579678 6.214437 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=186) 0 17.145924 1.729496 5.369385 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=186) 0 15.551444 2.815684 6.286463 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=186) 0 14.910526 2.788689 5.409775 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=186) 0 14.628412 2.797424 7.516527 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=186) 0 15.201868 2.940440 8.433012 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=186) 0 13.887976 3.592261 7.439342 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=186) 0 14.094451 1.849241 7.572577 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=186) 0 16.374703 4.118621 6.193318 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=186) 0 16.965396 4.252758 7.100450 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=186) 0 17.058882 4.042303 5.347056 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=186) 0 15.510737 5.366996 5.982377 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=186) 0 14.909209 5.563095 6.868704 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=186) 0 16.156302 6.224619 5.792888 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=186) 0 14.848923 5.225451 5.130526 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=186) 0 17.357885 1.426314 7.452990 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=186) 0 16.940645 0.820274 8.436459 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=187) 0 18.574861 1.964650 7.423010 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=187) 0 18.899634 2.396326 6.561815 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=187) 0 19.494142 1.934400 8.564580 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=187) 0 18.905585 1.774757 9.465771 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=187) 0 20.472970 0.756633 8.453269 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=187) 0 19.898533 -0.151206 8.280190 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=187) 0 21.494172 0.881269 7.322559 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=187) 0 22.245755 1.631133 7.567957 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=187) 0 21.977342 -0.078603 7.164686 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=187) 0 20.993770 1.155834 6.395849 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=187) 0 21.163513 0.614737 9.672843 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=187) 0 20.560490 0.126020 10.261913 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=187) 0 20.239746 3.250804 8.745805 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=187) 0 20.708570 3.848921 7.775583 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=188) 0 20.391609 3.666491 10.004054 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=188) 0 19.917575 3.146801 10.737016 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=188) 0 21.256139 4.776174 10.420201 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=188) 0 21.671081 5.234705 9.524998 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=188) 0 20.439185 5.868136 11.126634 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=188) 0 21.087708 6.717599 11.339366 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=188) 0 19.642193 6.205361 10.462443 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=188) 0 19.861187 5.417683 12.340479 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=188) 0 19.479018 6.222793 12.774012 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=188) 0 22.473994 4.319295 11.236381 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=188) 0 23.169051 5.152492 11.817847 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=189) 0 22.754336 3.008668 11.296117 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=189) 0 22.170889 2.364169 10.776054 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=189) 0 23.902505 2.456384 12.019923 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=189) 0 24.305281 3.226425 12.681104 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=189) 0 23.452241 1.293119 12.921720 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=189) 0 22.697353 1.649378 13.618155 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=189) 0 23.017327 0.501132 12.314642 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=189) 0 24.611644 0.733406 13.730690 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=189) 0 25.657124 1.350390 13.860542 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=189) 0 24.504206 -0.453702 14.269839 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=189) 0 25.352293 -0.819644 14.707728 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=189) 0 23.687593 -1.031175 14.106814 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=189) 0 25.033635 2.044213 11.063180 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=189) 0 24.847521 1.201611 10.181324 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=190) 0 26.238153 2.580080 11.274660 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=190) 0 26.377088 3.178976 12.076646 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=190) 0 27.389835 2.311330 10.412111 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=190) 0 27.035029 2.415686 9.390904 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=190) 0 28.472377 3.372934 10.585819 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=190) 0 29.264012 3.184244 9.860655 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=190) 0 28.052017 4.360362 10.388547 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=190) 0 29.015484 3.345665 11.888320 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=190) 0 29.969175 3.544667 11.782988 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=190) 0 27.963595 0.890122 10.523097 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=190) 0 28.696655 0.476646 9.624815 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=191) 0 27.569489 0.077184 11.512344 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=191) 0 27.032052 0.468997 12.277566 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=191) 0 27.805372 -1.380248 11.469707 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=191) 0 28.876881 -1.582354 11.474490 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=191) 0 27.155221 -2.073503 12.676181 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=191) 0 26.106000 -1.787733 12.723335 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=191) 0 27.175883 -3.151114 12.519986 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=191) 0 27.843155 -1.790287 14.007525 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=191) 0 29.031982 -2.156251 14.171703 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=191) 0 27.167487 -1.255695 14.915258 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=191) 0 27.197692 -2.008015 10.201946 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=191) 0 27.812478 -2.845921 9.536096 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=192) 0 25.985745 -1.576365 9.842325 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=192) 0 25.560067 -0.836312 10.389214 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=192) 0 25.218654 -2.126031 8.717580 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=192) 0 25.346733 -3.208928 8.716319 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=192) 0 23.713998 -1.826455 8.873772 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=192) 0 23.532213 -0.787986 8.606230 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=192) 0 22.878621 -2.744056 7.972767 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=192) 0 23.005211 -3.781340 8.280039 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=192) 0 21.824443 -2.476393 8.052266 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=192) 0 23.183687 -2.643746 6.934447 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=192) 0 23.226950 -2.048428 10.311545 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=192) 0 23.620876 -1.272369 10.964298 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=192) 0 22.138362 -2.002366 10.353946 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=192) 0 23.568162 -3.018019 10.664013 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=192) 0 25.767087 -1.598428 7.391343 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=192) 0 25.898418 -2.363587 6.440624 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=193) 0 26.195646 -0.329899 7.351482 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=193) 0 26.056896 0.234862 8.177843 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=193) 0 26.997074 0.223543 6.249493 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=193) 0 26.420115 0.223189 5.323940 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=193) 0 27.440074 1.658184 6.582544 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=193) 0 27.871511 1.674285 7.577002 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=193) 0 28.266148 1.886971 5.920957 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=193) 0 26.456840 2.812055 6.476154 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=193) 0 26.810770 3.930351 5.694222 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=193) 0 27.714016 3.918094 5.098232 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=193) 0 26.019797 5.089867 5.715405 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=193) 0 26.306868 5.954227 5.134762 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=193) 0 24.855796 5.132030 6.496771 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=193) 0 24.251027 6.026142 6.497558 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=193) 0 24.474653 4.010959 7.253785 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=193) 0 23.568622 4.040826 7.844691 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=193) 0 25.278289 2.856072 7.248657 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=193) 0 24.986707 2.013073 7.852450 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=193) 0 28.273569 -0.610106 6.018314 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=193) 0 28.578634 -0.997078 4.888324 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=194) 0 29.005663 -0.915709 7.097474 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=194) 0 28.695581 -0.556703 7.992485 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=194) 0 30.295421 -1.619859 7.046551 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=194) 0 30.972459 -1.070694 6.390258 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=194) 0 30.940520 -1.706857 8.433149 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=194) 0 30.327294 -2.343761 9.071761 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=194) 0 31.925631 -2.166574 8.333877 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=194) 0 31.089655 -0.437346 9.049767 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=194) 0 30.190841 -0.099675 9.259385 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=194) 0 30.161461 -3.041256 6.498912 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=194) 0 31.039244 -3.493517 5.764873 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=195) 0 29.049270 -3.740254 6.776509 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=195) 0 28.373799 -3.330669 7.414105 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=195) 0 28.770341 -5.073765 6.206970 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=195) 0 29.581382 -5.744313 6.496115 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=195) 0 27.458617 -5.618174 6.803091 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=195) 0 27.540715 -5.606689 7.891634 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=195) 0 26.624094 -4.979026 6.510279 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=195) 0 27.180349 -7.057980 6.338894 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=195) 0 26.917665 -7.053277 5.280706 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=195) 0 28.082753 -7.656666 6.473938 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=195) 0 26.040539 -7.712063 7.123167 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=195) 0 26.315264 -7.755793 8.179008 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=195) 0 25.127772 -7.124468 7.007814 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=195) 0 25.810431 -9.130651 6.591431 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=195) 0 25.409957 -9.071422 5.574853 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=195) 0 26.767345 -9.657919 6.549528 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=195) 0 24.878454 -9.873294 7.462407 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=195) 0 23.988475 -9.395418 7.555503 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=195) 0 24.699822 -10.822069 7.135234 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=195) 0 25.243184 -9.969805 8.408602 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=195) 0 28.749011 -5.072316 4.670062 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=195) 0 29.065117 -6.088841 4.053121 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=196) 0 28.453565 -3.927271 4.052324 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=196) 0 28.212328 -3.131705 4.629393 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=196) 0 28.388053 -3.751836 2.598865 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=196) 0 28.634919 -4.705202 2.132104 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=196) 0 26.935657 -3.441634 2.198815 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=196) 0 26.657318 -2.463016 2.593527 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=196) 0 26.859274 -3.399951 1.112045 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=196) 0 25.965037 -4.495705 2.710584 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=196) 0 26.012560 -5.804663 2.191337 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=196) 0 26.695189 -6.044800 1.387717 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=196) 0 25.208283 -6.817584 2.748966 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=196) 0 25.267186 -7.824893 2.365930 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=196) 0 24.346630 -6.525497 3.828594 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=196) 0 23.611931 -7.512410 4.407196 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=196) 0 23.773263 -8.373660 3.974941 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=196) 0 24.285467 -5.210669 4.336053 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=196) 0 23.634406 -4.993533 5.168537 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=196) 0 25.096453 -4.201732 3.779491 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=196) 0 25.080529 -3.205885 4.198347 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=196) 0 29.443655 -2.771618 2.052025 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=196) 0 29.301784 -2.290146 0.925965 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=197) 0 30.534513 -2.540488 2.796961 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=197) 0 30.589182 -2.990600 3.703516 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=197) 0 31.674680 -1.685889 2.417642 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=197) 0 32.348422 -1.679571 3.274639 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=197) 0 32.458872 -2.297021 1.232408 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=197) 0 31.818585 -2.333159 0.351215 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=197) 0 33.297485 -1.644661 0.988594 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=197) 0 33.018739 -3.702857 1.486931 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=197) 0 32.205579 -4.390811 1.709598 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=197) 0 33.513316 -4.046269 0.581204 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=197) 0 34.028721 -3.727334 2.624468 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=197) 0 33.846111 -4.382776 3.640256 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=197) 0 35.120384 -3.013508 2.518642 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=197) 0 35.780556 -3.026975 3.283290 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=197) 0 35.328491 -2.516498 1.658850 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=197) 0 31.327854 -0.200319 2.188308 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=197) 0 31.976907 0.472492 1.385984 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=198) 0 30.301086 0.332904 2.857105 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=198) 0 29.799124 -0.238279 3.527600 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=198) 0 29.849629 1.710334 2.638317 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=198) 0 30.131549 2.010954 1.629788 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=198) 0 28.313764 1.787258 2.699246 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=198) 0 27.999033 1.601748 3.722408 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=198) 0 28.012930 2.802889 2.437764 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=198) 0 27.561381 0.796992 1.790839 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=198) 0 27.780535 -0.222024 2.107100 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=198) 0 26.063485 1.024940 1.960242 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=198) 0 25.785711 2.014865 1.596965 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=198) 0 25.509738 0.266628 1.412224 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=198) 0 25.802929 0.942502 3.013181 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=198) 0 27.911930 0.937848 0.308458 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=198) 0 28.956716 0.674930 0.146455 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=198) 0 27.288132 0.269809 -0.284334 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=198) 0 27.742798 1.963199 -0.017938 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=198) 0 30.527149 2.695286 3.606776 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=198) 0 30.259710 2.695939 4.807426 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=199) 0 31.363398 3.589824 3.081819 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=199) 0 31.576192 3.518158 2.094678 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=199) 0 31.901075 4.745787 3.820148 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=199) 0 32.105803 4.444289 4.848930 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=199) 0 33.229895 5.183673 3.183621 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=199) 0 33.759205 5.820117 3.894451 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=199) 0 33.851198 4.306666 2.998032 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=199) 0 33.033815 5.957271 1.875504 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=199) 0 32.574032 5.350079 0.878294 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=199) 0 33.340192 7.171918 1.835776 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=199) 0 30.920927 5.934862 3.860475 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=199) 0 31.059362 6.840798 4.684489 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=200) 0 29.946379 5.940160 2.947456 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=200) 0 29.891443 5.123499 2.349829 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=200) 0 29.122569 7.086609 2.549474 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=200) 0 29.260636 7.912684 3.248509 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=200) 0 29.620524 7.509226 1.154858 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=200) 0 30.676474 7.770365 1.228974 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=200) 0 29.545829 6.641823 0.504346 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=200) 0 28.890549 8.685254 0.488870 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=200) 0 27.814648 8.574150 0.581184 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=200) 0 29.176844 9.608060 0.994264 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=200) 0 29.242779 8.792393 -1.005507 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=200) 0 28.817255 9.710986 -1.397795 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=200) 0 30.323345 8.872805 -1.110554 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=200) 0 28.754253 7.619381 -1.872420 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=200) 0 29.119457 7.772466 -2.892664 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=200) 0 29.196325 6.686863 -1.510862 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=200) 0 27.275511 7.513669 -1.890382 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=200) 0 26.864202 8.397047 -2.183674 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=200) 0 26.977718 6.783151 -2.532505 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=200) 0 26.901446 7.298590 -0.970099 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=200) 0 27.646299 6.694767 2.533731 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=200) 0 27.310991 5.560312 2.191908 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=201) 0 26.766443 7.638484 2.850385 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=201) 0 27.104752 8.539216 3.158012 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=201) 0 25.315100 7.457016 2.754714 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=201) 0 25.036614 6.605300 3.374666 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=201) 0 24.608304 8.698492 3.309187 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=201) 0 24.839240 9.552505 2.670216 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=201) 0 23.531383 8.537759 3.277239 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=201) 0 25.025192 9.021387 4.744063 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=201) 0 24.332392 8.610694 5.699998 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=201) 0 26.011045 9.772452 4.926734 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=201) 0 24.846427 7.157278 1.314763 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=201) 0 25.462645 7.583192 0.327075 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=202) 0 23.742946 6.424071 1.173921 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=202) 0 23.240657 6.133007 2.011769 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=202) 0 23.215618 6.003969 -0.124960 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=202) 0 22.723387 6.846361 -0.607297 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=202) 0 24.041516 5.676618 -0.757419 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=202) 0 22.199708 4.872572 -0.031584 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=202) 0 21.563395 4.666359 0.995651 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=203) 0 22.029726 4.131048 -1.124123 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=203) 0 22.622620 4.301679 -1.923279 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=203) 0 21.075753 3.016378 -1.225717 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=203) 0 20.817405 2.672401 -0.225179 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=203) 0 19.772791 3.459207 -1.930834 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=203) 0 19.994534 3.747327 -2.954519 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=203) 0 18.727255 2.342707 -1.969616 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=203) 0 18.503205 2.011054 -0.956702 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=203) 0 17.813370 2.704615 -2.434564 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=203) 0 19.088753 1.503358 -2.560718 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=203) 0 19.135325 4.669105 -1.237750 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=203) 0 19.774173 5.540977 -1.363666 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=203) 0 18.170569 4.900688 -1.678920 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=203) 0 18.998992 4.461811 -0.177934 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=203) 0 21.742434 1.850935 -1.950168 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=203) 0 22.547217 2.064861 -2.855947 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=204) 0 21.407259 0.620158 -1.569421 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=204) 0 20.757355 0.514960 -0.794287 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=204) 0 21.874743 -0.601055 -2.231446 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=204) 0 22.363934 -0.327452 -3.163186 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=204) 0 22.911648 -1.348131 -1.375577 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=204) 0 22.436856 -1.701084 -0.464513 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=204) 0 23.465757 -2.563978 -2.111441 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=204) 0 23.952009 -2.249722 -3.034724 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=204) 0 24.185804 -3.069599 -1.468912 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=204) 0 22.664951 -3.267482 -2.338331 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=204) 0 24.107429 -0.461305 -1.004300 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=204) 0 23.783653 0.363238 -0.370381 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=204) 0 24.846345 -1.045007 -0.456375 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=204) 0 24.568542 -0.055309 -1.905056 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=204) 0 20.684165 -1.494914 -2.566570 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=204) 0 19.876937 -1.822480 -1.697441 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=205) 0 20.585729 -1.899726 -3.831402 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=205) 0 21.331963 -1.625140 -4.462856 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=205) 0 19.625884 -2.882900 -4.326935 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=205) 0 18.783244 -2.941287 -3.636687 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=205) 0 19.074085 -2.403846 -5.680190 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=205) 0 18.513660 -1.496230 -5.464206 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=205) 0 19.897443 -2.128355 -6.337708 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=205) 0 18.135668 -3.370213 -6.432077 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=205) 0 17.486500 -3.885106 -5.724570 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=205) 0 17.265371 -2.541233 -7.377653 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=205) 0 17.889599 -1.982315 -8.074205 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=205) 0 16.589711 -3.188708 -7.928799 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=205) 0 16.672563 -1.838047 -6.795655 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=205) 0 18.881589 -4.400654 -7.289751 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=205) 0 19.417919 -5.106996 -6.662491 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=205) 0 18.173219 -4.972735 -7.884238 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=205) 0 19.580764 -3.900768 -7.957817 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=205) 0 20.291819 -4.255988 -4.360842 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=205) 0 21.357791 -4.432899 -4.950412 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=206) 0 19.639998 -5.230931 -3.747361 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=206) 0 18.717892 -5.024321 -3.378255 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=206) 0 20.064397 -6.619385 -3.675373 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=206) 0 21.071067 -6.713598 -4.078411 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=206) 0 20.093810 -7.078462 -2.214869 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=206) 0 19.085093 -7.009150 -1.805029 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=206) 0 20.381213 -8.130217 -2.198236 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=206) 0 21.040888 -6.308065 -1.313150 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=206) 0 20.623112 -5.108204 -0.704464 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=206) 0 19.636110 -4.714055 -0.901468 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=206) 0 21.483055 -4.423982 0.171517 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=206) 0 21.156725 -3.505593 0.634927 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=206) 0 22.762729 -4.936355 0.445940 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=206) 0 23.419601 -4.417583 1.130804 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=206) 0 23.185671 -6.128298 -0.167537 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=206) 0 24.166230 -6.526541 0.048722 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=206) 0 22.328504 -6.811879 -1.048250 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=206) 0 22.653851 -7.735596 -1.505889 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=206) 0 19.128925 -7.498037 -4.506163 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=206) 0 17.951833 -7.184518 -4.688812 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=207) 0 19.658105 -8.607740 -5.012069 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=207) 0 20.646223 -8.778326 -4.855452 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=207) 0 18.894426 -9.649122 -5.705234 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=207) 0 17.961849 -9.805060 -5.160905 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=207) 0 18.560852 -9.201185 -7.141108 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=207) 0 18.066389 -10.020811 -7.663631 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=207) 0 17.861397 -8.365555 -7.100909 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=207) 0 19.800032 -8.762675 -7.931562 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=207) 0 20.189135 -7.829338 -7.521204 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=207) 0 20.564672 -9.530119 -7.852641 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=207) 0 19.460934 -8.559396 -9.405133 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=207) 0 19.140267 -9.509758 -9.824289 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=207) 0 18.666213 -7.820628 -9.502658 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=207) 0 20.709062 -8.081165 -10.137155 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=207) 0 21.056039 -7.150871 -9.681099 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=207) 0 21.506586 -8.819756 -10.014193 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=207) 0 20.454839 -7.852574 -11.571122 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=207) 0 19.730635 -7.156807 -11.711046 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=207) 0 21.298151 -7.486199 -12.002105 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=207) 0 20.273514 -8.717559 -12.081089 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=207) 0 19.639292 -10.980778 -5.683247 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=207) 0 20.833499 -11.020262 -5.385164 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=208) 0 18.958993 -12.073338 -6.022370 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=208) 0 17.966820 -11.948918 -6.210462 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=208) 0 19.509591 -13.443640 -5.957461 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=208) 0 20.355870 -13.431752 -5.267480 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=208) 0 18.466335 -14.387647 -5.337818 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=208) 0 17.587709 -14.449690 -5.982940 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=208) 0 18.900157 -15.382577 -5.244937 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=208) 0 18.054213 -13.887696 -3.942024 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=208) 0 18.944762 -13.655543 -3.356318 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=208) 0 17.466039 -12.976148 -4.044970 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=208) 0 17.229481 -14.927365 -3.186015 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=208) 0 16.404449 -15.266742 -3.814710 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=208) 0 17.864108 -15.777307 -2.931635 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=208) 0 16.672818 -14.295915 -1.911514 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=208) 0 17.495393 -13.893953 -1.314160 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=208) 0 16.020794 -13.469211 -2.195902 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=208) 0 15.910254 -15.285855 -1.128333 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=208) 0 16.543210 -15.929063 -0.659414 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=208) 0 15.350310 -14.833610 -0.414860 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=208) 0 15.273628 -15.808060 -1.730629 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=208) 0 20.121748 -13.945753 -7.277091 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=208) 0 20.266404 -15.151658 -7.481820 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=209) 0 20.466116 -13.024917 -8.176499 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=209) 0 20.380078 -12.056259 -7.914901 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=209) 0 20.995225 -13.291190 -9.516268 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=209) 0 21.627838 -14.178570 -9.469890 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=209) 0 19.827041 -13.587745 -10.478679 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=209) 0 20.225163 -13.739667 -11.482360 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=209) 0 19.374832 -14.534463 -10.180874 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=209) 0 18.720166 -12.545399 -10.537313 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=209) 0 18.677285 -11.610562 -11.589203 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=209) 0 19.437464 -11.623809 -12.357696 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=209) 0 17.628844 -10.674743 -11.661605 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=209) 0 17.592505 -9.976971 -12.485000 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=209) 0 16.624746 -10.662096 -10.675166 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=209) 0 15.807257 -9.957247 -10.732505 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=209) 0 16.659745 -11.597419 -9.627877 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=209) 0 15.873558 -11.607495 -8.884463 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=209) 0 17.696657 -12.544319 -9.567595 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=209) 0 17.691106 -13.288302 -8.784499 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=209) 0 21.884524 -12.134660 -10.012074 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=209) 0 21.880524 -11.045120 -9.438945 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=210) 0 22.647898 -12.377218 -11.080335 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=210) 0 22.578474 -13.295676 -11.496136 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=210) 0 23.702689 -11.501182 -11.622379 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=210) 0 24.223336 -12.060017 -12.399685 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=210) 0 23.095054 -10.268178 -12.321420 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=210) 0 22.704429 -9.588354 -11.566133 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=210) 0 23.884683 -9.745610 -12.862877 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=210) 0 21.982637 -10.614367 -13.315628 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=210) 0 21.001775 -9.832607 -13.381227 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=210) 0 22.102064 -11.653719 -14.011929 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=210) 0 24.775068 -11.187862 -10.560227 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=210) 0 25.119986 -12.068955 -9.766132 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=211) 0 25.321007 -9.969406 -10.506948 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=211) 0 25.050088 -9.287595 -11.205432 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=211) 0 26.251287 -9.543693 -9.442353 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=211) 0 27.101249 -10.227571 -9.443099 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=211) 0 26.806135 -8.138940 -9.750941 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=211) 0 27.681184 -7.981051 -9.119373 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=211) 0 27.145320 -8.110276 -10.786086 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=211) 0 25.841650 -6.966245 -9.504696 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=211) 0 25.585002 -6.944451 -8.447103 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=211) 0 26.357885 -6.033725 -9.740024 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=211) 0 24.562615 -7.052080 -10.337291 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=211) 0 24.644182 -6.933622 -11.582980 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=211) 0 23.478842 -7.285313 -9.756275 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=211) 0 25.626680 -9.605873 -8.030820 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=211) 0 26.335043 -9.735764 -7.029226 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=212) 0 24.294094 -9.540177 -7.943623 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=212) 0 23.781567 -9.395516 -8.807462 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=212) 0 23.506085 -9.712705 -6.722658 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=212) 0 22.505584 -10.028772 -7.003426 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=212) 0 23.949109 -10.506905 -6.122964 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=212) 0 23.394051 -8.469889 -5.836768 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=212) 0 22.599295 -8.467426 -4.891755 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=213) 0 24.167547 -7.412872 -6.109088 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=213) 0 24.785811 -7.477763 -6.909453 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=213) 0 24.240403 -6.200761 -5.283233 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=213) 0 23.255304 -6.009756 -4.858619 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=213) 0 25.222296 -6.466438 -4.131383 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=213) 0 24.916940 -7.381254 -3.620786 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=213) 0 26.223532 -6.616354 -4.535878 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=213) 0 25.228434 -5.340460 -3.094132 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=213) 0 24.260245 -4.848331 -3.124182 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=213) 0 25.340069 -5.772600 -2.098932 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=213) 0 26.344556 -4.308843 -3.313668 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=213) 0 26.564311 -4.197615 -4.376666 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=213) 0 25.986292 -3.351253 -2.943833 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=213) 0 27.564676 -4.702215 -2.587286 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=213) 0 27.851747 -5.674374 -2.679482 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=213) 0 28.241041 -3.964556 -1.728583 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=213) 0 28.030146 -2.686898 -1.570040 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=213) 0 27.375961 -2.200124 -2.178434 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=213) 0 28.486750 -2.206869 -0.803258 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=213) 0 29.152890 -4.497041 -0.969896 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=213) 0 29.330219 -5.500306 -0.982944 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=213) 0 29.650999 -3.895463 -0.335592 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=213) 0 24.651986 -4.981759 -6.110359 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=213) 0 25.670303 -5.004297 -6.787224 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=214) 0 23.866545 -3.912691 -6.028199 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=214) 0 23.056908 -3.975145 -5.422142 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=214) 0 23.942481 -2.739383 -6.897054 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=214) 0 24.874078 -2.751250 -7.468735 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=214) 0 22.748579 -2.782266 -7.871773 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=214) 0 21.819779 -2.844429 -7.309704 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=214) 0 22.725501 -1.862143 -8.455911 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=214) 0 22.823262 -3.951508 -8.831813 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=214) 0 23.315899 -3.823311 -9.940274 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=214) 0 22.353642 -5.112664 -8.444147 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=214) 0 22.634210 -5.920153 -9.008976 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=214) 0 21.981877 -5.219942 -7.518713 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=214) 0 23.909351 -1.466054 -6.046011 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=214) 0 22.948432 -1.252311 -5.308285 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=215) 0 24.933530 -0.620781 -6.139790 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=215) 0 25.670881 -0.814863 -6.812013 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=215) 0 25.057268 0.599883 -5.340667 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=215) 0 24.529254 0.481034 -4.391722 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=215) 0 26.543317 0.829084 -5.044597 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=215) 0 27.067411 0.855390 -5.997889 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=215) 0 26.662324 1.801323 -4.572520 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=215) 0 27.227928 -0.201443 -4.157994 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=215) 0 26.636782 -1.017639 -3.462771 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=215) 0 28.539221 -0.185801 -4.153987 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=215) 0 29.027808 -0.846247 -3.581875 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=215) 0 29.019572 0.484172 -4.737399 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=215) 0 24.453458 1.805787 -6.087336 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=215) 0 24.738506 2.013600 -7.269309 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=216) 0 23.639826 2.617892 -5.411477 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=216) 0 23.440867 2.399089 -4.440442 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=216) 0 22.878676 3.714132 -6.021700 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=216) 0 22.359480 3.316003 -6.893745 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=216) 0 21.815988 4.196016 -5.032469 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=216) 0 21.159415 3.355403 -4.808810 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=216) 0 22.301847 4.510360 -4.107870 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=216) 0 20.978447 5.340744 -5.556449 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=216) 0 19.840181 5.072501 -6.331250 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=216) 0 19.547584 4.052069 -6.497357 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=216) 0 19.088379 6.122283 -6.883507 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=216) 0 18.213771 5.909498 -7.477555 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=216) 0 19.481024 7.449684 -6.658941 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=216) 0 18.916417 8.268957 -7.075686 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=216) 0 20.618960 7.718735 -5.885342 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=216) 0 20.919754 8.738755 -5.720096 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=216) 0 21.368022 6.671334 -5.329128 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=216) 0 22.250803 6.893835 -4.746224 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=216) 0 23.745220 4.885858 -6.506788 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=216) 0 24.654995 5.340091 -5.809096 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=217) 0 23.407415 5.422433 -7.679442 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=217) 0 22.590652 5.057322 -8.152997 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=217) 0 24.197413 6.410971 -8.420559 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=217) 0 25.170613 6.534602 -7.945663 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=217) 0 24.431374 5.884381 -9.844147 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=217) 0 23.463287 5.679047 -10.296256 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=217) 0 24.921979 6.654843 -10.438536 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=217) 0 25.281214 4.607799 -9.891532 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=217) 0 26.334206 4.884636 -9.829917 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=217) 0 25.052545 3.972069 -9.037291 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=217) 0 25.021053 3.808836 -11.170259 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=217) 0 25.165521 4.383954 -12.272907 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=217) 0 24.685606 2.603844 -11.063706 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=217) 0 23.511032 7.785889 -8.479800 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=217) 0 22.346358 7.897229 -8.886047 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=218) 0 24.253355 8.837154 -8.131148 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=218) 0 25.173332 8.669684 -7.742046 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=218) 0 23.792651 10.224351 -8.199439 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=218) 0 24.652621 10.893647 -8.195778 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=218) 0 23.260007 10.367340 -9.137765 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=218) 0 22.872389 10.632300 -7.049454 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=218) 0 22.930465 10.070203 -5.956320 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=219) 0 22.027024 11.632584 -7.281806 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=219) 0 21.987654 12.024913 -8.216845 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=219) 0 21.155830 12.214001 -6.258916 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=219) 0 21.756435 12.374206 -5.363742 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=219) 0 20.669871 13.583454 -6.730912 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=219) 0 21.552492 14.185089 -6.942236 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=219) 0 20.091888 13.465365 -7.648384 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=219) 0 19.809662 14.312656 -5.691467 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=219) 0 18.780833 13.955840 -5.754760 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=219) 0 20.184828 14.080250 -4.692409 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=219) 0 19.851318 15.830579 -5.893170 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=219) 0 19.917845 16.306399 -7.054388 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=219) 0 19.895143 16.552734 -4.866536 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=219) 0 19.982404 11.299815 -5.891040 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=219) 0 19.219610 10.849050 -6.752336 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=220) 0 19.817682 11.041701 -4.592149 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=220) 0 20.467050 11.465046 -3.933563 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=220) 0 18.762775 10.161954 -4.075949 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=220) 0 18.700291 9.278545 -4.708782 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=220) 0 19.069002 9.688711 -2.644169 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=220) 0 19.030059 10.550717 -1.987480 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=220) 0 18.033389 8.659707 -2.180293 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=220) 0 18.102174 7.769172 -2.803939 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=220) 0 18.219933 8.390859 -1.143328 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=220) 0 17.025944 9.071464 -2.234270 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=220) 0 20.449299 9.037501 -2.496761 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=220) 0 21.230659 9.737645 -2.788068 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=220) 0 20.619895 8.762550 -1.456809 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=220) 0 20.514315 8.145630 -3.116065 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=220) 0 17.417894 10.883842 -4.126301 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=220) 0 17.130198 11.731328 -3.280910 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=221) 0 16.572034 10.519407 -5.087128 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=221) 0 16.885618 9.851815 -5.775247 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=221) 0 15.170109 10.958377 -5.163820 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=221) 0 14.912395 11.422290 -4.220651 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=221) 0 14.906759 12.019614 -6.249280 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=221) 0 14.045137 12.590129 -5.914493 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=221) 0 16.050893 13.004204 -6.478900 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=221) 0 16.921232 12.487760 -6.879434 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=221) 0 15.737049 13.767703 -7.190591 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=221) 0 16.316599 13.482344 -5.536578 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=221) 0 14.561735 11.451459 -7.491178 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=221) 0 13.689859 11.845665 -7.708565 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=221) 0 14.246511 9.758632 -5.345308 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=221) 0 14.700025 8.713552 -5.815450 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=222) 0 12.951749 9.889800 -5.023557 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=222) 0 12.644121 10.754064 -4.585101 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=222) 0 11.942974 8.860480 -5.326299 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=222) 0 12.167541 7.967737 -4.746499 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=222) 0 10.542337 9.367339 -4.933289 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=222) 0 10.521036 9.527053 -3.855003 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=222) 0 10.353233 10.323866 -5.425474 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=222) 0 9.429389 8.375038 -5.326010 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=222) 0 9.428330 8.246046 -6.408186 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=222) 0 9.619877 7.410241 -4.859022 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=222) 0 8.041299 8.873524 -4.914389 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=222) 0 7.967592 8.901733 -3.829987 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=222) 0 7.917151 9.880185 -5.305186 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=222) 0 6.942254 7.963853 -5.478946 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=222) 0 6.966561 8.023446 -6.570817 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=222) 0 7.162983 6.933968 -5.190478 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=222) 0 5.593824 8.343078 -4.987222 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=222) 0 5.392917 9.320880 -5.190262 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=222) 0 4.870138 7.760018 -5.410169 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=222) 0 5.515123 8.202746 -3.983347 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=222) 0 12.000875 8.460199 -6.800210 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=222) 0 12.060442 7.277381 -7.112670 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=223) 0 12.040611 9.440900 -7.696093 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=223) 0 12.062084 10.396588 -7.354819 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=223) 0 12.065115 9.227055 -9.143472 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=223) 0 11.203300 8.619354 -9.424729 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=223) 0 11.962811 10.572149 -9.883079 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=223) 0 12.875814 11.152662 -9.747782 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=223) 0 11.877490 10.348385 -10.944198 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=223) 0 10.740732 11.419342 -9.484816 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=223) 0 10.510659 12.080293 -10.319471 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=223) 0 9.880440 10.759636 -9.352059 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=223) 0 10.920644 12.286277 -8.224688 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=223) 0 12.002568 12.279670 -7.588693 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=223) 0 9.940528 12.974588 -7.839701 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=223) 0 13.323023 8.462990 -9.579644 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=223) 0 13.214520 7.423682 -10.234109 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=224) 0 14.503158 8.916344 -9.141347 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=224) 0 14.515905 9.764844 -8.583710 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=224) 0 15.781457 8.272262 -9.444731 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=224) 0 15.864698 8.143250 -10.525852 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=224) 0 16.929107 9.174749 -8.956295 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=224) 0 16.764767 9.447001 -7.914259 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=224) 0 17.861400 8.616928 -9.025811 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=224) 0 17.132091 10.436711 -9.772331 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=224) 0 16.691495 10.560874 -10.908910 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=224) 0 17.887661 11.374399 -9.251567 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=224) 0 18.049935 12.222147 -9.773276 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=224) 0 18.318738 11.229418 -8.341715 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=224) 0 15.899818 6.871161 -8.824049 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=224) 0 16.549457 6.005684 -9.404420 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=225) 0 15.281509 6.620276 -7.665646 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=225) 0 14.801477 7.387186 -7.204080 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=225) 0 15.251524 5.301881 -7.024321 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=225) 0 16.246525 4.870891 -7.064800 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=225) 0 14.832327 5.450861 -5.557245 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=225) 0 13.990246 6.141128 -5.502207 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=225) 0 14.492881 4.484094 -5.181744 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=225) 0 15.974394 5.946271 -4.658877 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=225) 0 16.481853 6.797451 -5.112438 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=225) 0 15.386519 6.363514 -3.317413 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=225) 0 14.799596 5.540909 -2.915755 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=225) 0 16.178073 6.614838 -2.616997 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=225) 0 14.743215 7.233613 -3.453681 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=225) 0 16.988568 4.833203 -4.388402 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=225) 0 17.344451 4.399887 -5.318195 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=225) 0 17.846463 5.252725 -3.866797 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=225) 0 16.529130 4.046371 -3.792715 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=225) 0 14.331893 4.321564 -7.750183 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=225) 0 14.710840 3.167400 -7.945239 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=226) 0 13.162897 4.781537 -8.198185 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=226) 0 12.899953 5.737927 -7.977955 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=226) 0 12.281924 3.998012 -9.060296 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=226) 0 12.059261 3.049385 -8.572344 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=226) 0 10.966028 4.770499 -9.275398 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=226) 0 11.218453 5.768272 -9.624844 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=226) 0 10.386626 4.276519 -10.056692 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=226) 0 10.075884 4.917871 -8.023825 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=226) 0 10.661280 5.281425 -7.184536 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=226) 0 8.945184 5.910466 -8.296333 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=226) 0 8.324292 5.549539 -9.118331 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=226) 0 8.329217 6.020126 -7.406104 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=226) 0 9.365992 6.879165 -8.564356 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=226) 0 9.444755 3.601232 -7.594378 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=226) 0 10.222271 2.889144 -7.327344 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=226) 0 8.814113 3.763979 -6.721816 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=226) 0 8.834032 3.204418 -8.405995 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=226) 0 12.994720 3.656235 -10.381115 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=226) 0 12.955828 2.504715 -10.803883 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=227) 0 13.718587 4.595970 -11.000021 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=227) 0 13.710909 5.539812 -10.623395 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=227) 0 14.546174 4.314005 -12.186010 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=227) 0 13.924035 3.841040 -12.945241 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=227) 0 15.101337 5.618973 -12.774525 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=227) 0 15.597093 6.193254 -11.990854 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=227) 0 15.845655 5.370044 -13.531146 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=227) 0 14.022350 6.468750 -13.442170 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=227) 0 13.252005 5.930435 -14.274061 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=227) 0 13.937491 7.683925 -13.155601 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=227) 0 15.690329 3.328679 -11.886297 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=227) 0 15.868206 2.343742 -12.597379 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=228) 0 16.432989 3.520181 -10.797068 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=228) 0 16.277942 4.365283 -10.256324 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=228) 0 17.479513 2.595374 -10.344177 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=228) 0 18.269710 2.559959 -11.094382 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=228) 0 18.060032 3.169673 -9.049810 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=228) 0 18.706314 4.008153 -9.308694 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=228) 0 17.242435 3.576569 -8.462438 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=228) 0 18.826959 2.225198 -8.148843 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=228) 0 20.151709 1.862121 -8.454265 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=228) 0 20.604241 2.176742 -9.384348 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=228) 0 20.903603 1.116415 -7.529850 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=228) 0 21.922320 0.838605 -7.760844 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=228) 0 20.346245 0.767533 -6.288559 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=228) 0 20.941886 0.236483 -5.563213 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=228) 0 19.017403 1.111367 -5.989427 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=228) 0 18.588603 0.839562 -5.035291 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=228) 0 18.250273 1.819726 -6.928434 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=228) 0 17.232927 2.098786 -6.688848 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=228) 0 16.964334 1.157846 -10.161896 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=228) 0 17.671718 0.212823 -10.511358 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=229) 0 15.721591 0.985455 -9.702558 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=229) 0 15.217342 1.813740 -9.398828 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=229) 0 15.025245 -0.307448 -9.643113 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=229) 0 15.686710 -1.034377 -9.172660 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=229) 0 13.770126 -0.154395 -8.746928 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=229) 0 13.251092 0.755720 -9.041392 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=229) 0 12.758971 -1.309750 -8.855029 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=229) 0 13.154997 -2.196691 -8.369704 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=229) 0 11.833337 -1.036254 -8.349500 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=229) 0 12.520990 -1.535948 -9.893257 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=229) 0 14.225593 -0.006395 -7.275769 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=229) 0 14.563766 -0.971505 -6.899866 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=229) 0 15.067937 0.681149 -7.212624 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=229) 0 13.139940 0.524139 -6.339817 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=229) 0 12.361857 -0.225924 -6.201495 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=229) 0 13.594945 0.746584 -5.375075 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=229) 0 12.706365 1.439009 -6.744690 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=229) 0 14.742882 -0.832203 -11.063131 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=229) 0 15.162100 -1.949109 -11.389420 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=230) 0 14.123021 -0.026922 -11.940066 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=230) 0 13.851206 0.900533 -11.621664 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=230) 0 13.863548 -0.380104 -13.355692 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=230) 0 13.157376 -1.211035 -13.402462 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=230) 0 13.259138 0.822432 -14.106021 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=230) 0 13.943677 1.664184 -14.022074 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=230) 0 13.184480 0.574067 -15.165834 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=230) 0 11.863313 1.247294 -13.617995 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=230) 0 11.140284 0.501320 -13.926845 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=230) 0 11.838853 1.283260 -12.534608 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=230) 0 11.451377 2.607793 -14.204001 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=230) 0 12.334058 3.117764 -14.585690 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=230) 0 10.763213 2.441625 -15.032901 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=230) 0 10.784263 3.520475 -13.170904 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=230) 0 9.780911 3.144660 -12.945691 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=230) 0 11.373711 3.494725 -12.253923 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=230) 0 10.715370 4.913848 -13.669166 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=230) 0 10.094445 4.984548 -14.471577 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=230) 0 10.408360 5.560305 -12.945590 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=230) 0 11.634158 5.250723 -13.957888 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=230) 0 15.129195 -0.830974 -14.099349 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=230) 0 15.043348 -1.708764 -14.955719 L N-N--0.415700(PDBName=N,ResName=HID,ResNum=231) 0 16.293487 -0.277380 -13.758049 L H-H-0.271900(PDBName=H,ResName=HID,ResNum=231) 0 16.247454 0.512171 -13.122966 L C-CT-0.018800(PDBName=CA,ResName=HID,ResNum=231) 0 17.568962 -0.532473 -14.437844 L H-H1-0.088100(PDBName=HA,ResName=HID,ResNum=231) 0 17.352475 -0.991623 -15.403384 L C-CT--0.046200(PDBName=CB,ResName=HID,ResNum=231) 0 18.245267 0.818725 -14.745446 L H-HC-0.040200(PDBName=HB2,ResName=HID,ResNum=231) 0 18.498449 1.313101 -13.806338 L H-HC-0.040200(PDBName=HB3,ResName=HID,ResNum=231) 0 19.170558 0.638806 -15.293648 L C-CC--0.026600(PDBName=CG,ResName=HID,ResNum=231) 0 17.390827 1.746715 -15.582016 L N-NA--0.381100(PDBName=ND1,ResName=HID,ResNum=231) 0 16.875970 1.475528 -16.827960 L H-H-0.364900(PDBName=HD1,ResName=HID,ResNum=231) 0 17.091186 0.662710 -17.401824 L C-CR-0.205700(PDBName=CE1,ResName=HID,ResNum=231) 0 16.133381 2.523120 -17.216557 L H-H5-0.139200(PDBName=HE1,ResName=HID,ResNum=231) 0 15.612498 2.591383 -18.163676 L N-NB--0.572700(PDBName=NE2,ResName=HID,ResNum=231) 0 16.148114 3.487674 -16.277682 L C-CV-0.129200(PDBName=CD2,ResName=HID,ResNum=231) 0 16.966161 3.004676 -15.247084 L H-H4-0.114700(PDBName=HD2,ResName=HID,ResNum=231) 0 17.213440 3.529399 -14.336023 L C-C-0.597300(PDBName=C,ResName=HID,ResNum=231) 0 18.510471 -1.529815 -13.719589 L O-O--0.567900(PDBName=O,ResName=HID,ResNum=231) 0 19.640917 -1.710546 -14.182394 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=232) 0 18.106009 -2.180279 -12.610497 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=232) 0 17.183710 -1.974084 -12.247701 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=232) 0 18.979181 -3.130559 -11.881663 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=232) 0 19.730486 -3.506200 -12.580202 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=232) 0 19.740176 -2.384690 -10.764261 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=232) 0 19.035054 -1.894485 -10.098086 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=232) 0 20.299345 -3.112983 -10.178920 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=232) 0 20.749544 -1.368977 -11.281680 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=232) 0 21.857453 -1.708570 -11.668480 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=232) 0 20.417198 -0.104006 -11.320894 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=232) 0 21.126910 0.546855 -11.641140 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=232) 0 19.491058 0.170161 -11.014031 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=232) 0 18.313883 -4.416969 -11.324213 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=232) 0 19.000480 -5.439437 -11.246974 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=233) 0 17.024512 -4.430909 -10.947606 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=233) 0 16.476843 -3.588401 -11.069038 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=233) 0 16.314186 -5.691707 -10.608553 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=233) 0 17.055845 -6.418461 -10.282009 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=233) 0 15.393111 -5.528889 -9.389278 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=233) 0 14.889620 -6.474181 -9.215252 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=233) 0 16.037679 -5.361020 -8.529840 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=233) 0 14.339724 -4.417021 -9.379453 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=233) 0 13.956480 -4.325739 -8.365513 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=233) 0 14.812345 -3.471781 -9.607275 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=233) 0 13.145731 -4.667699 -10.292207 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=233) 0 12.194067 -5.335738 -9.905591 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=233) 0 13.161345 -4.142860 -11.497558 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=233) 0 13.929767 -3.556803 -11.795295 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=233) 0 12.381689 -4.299702 -12.125541 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=233) 0 15.676064 -6.350575 -11.845896 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=233) 0 16.055091 -5.988823 -12.950586 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=234) 0 14.800827 -7.355727 -11.711461 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=234) 0 14.531086 -7.668441 -10.789683 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=234) 0 14.073809 -7.960405 -12.842391 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=234) 0 13.802285 -7.160931 -13.531149 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=234) 0 14.999869 -8.967584 -13.566248 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=234) 0 15.999827 -8.546693 -13.667970 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=234) 0 15.075468 -9.856569 -12.940767 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=234) 0 14.525081 -9.406711 -14.964570 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=234) 0 13.463086 -9.611706 -14.944797 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=234) 0 14.779654 -8.341956 -16.030408 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=234) 0 15.848134 -8.198942 -16.172340 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=234) 0 14.336850 -8.662899 -16.973345 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=234) 0 14.323385 -7.396442 -15.740316 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=234) 0 15.260035 -10.678304 -15.389404 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=234) 0 15.022005 -11.480966 -14.689692 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=234) 0 14.921164 -10.982194 -16.379853 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=234) 0 16.336443 -10.513716 -15.402085 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=234) 0 12.798067 -8.686205 -12.348565 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=234) 0 12.878944 -9.361999 -11.319207 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=235) 0 11.652826 -8.593676 -13.054528 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=235) 0 11.365950 -7.642060 -14.122986 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=235) 0 12.122486 -7.669728 -14.905855 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=235) 0 11.297012 -6.637814 -13.702154 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=235) 0 10.012089 -8.050229 -14.703816 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=235) 0 10.161397 -8.758803 -15.520286 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=235) 0 9.439023 -7.188622 -15.045200 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=235) 0 9.335417 -8.753185 -13.528977 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=235) 0 8.544319 -9.427782 -13.859645 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=235) 0 8.935853 -8.015306 -12.839239 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=235) 0 10.500429 -9.480273 -12.855943 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=235) 0 10.288959 -9.602533 -11.793400 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=235) 0 10.710184 -10.869968 -13.484629 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=235) 0 11.661837 -11.088031 -14.230227 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=236) 0 9.790112 -11.801327 -13.220173 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=236) 0 8.990753 -11.542002 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C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=236) 0 11.857818 -13.369075 -11.289342 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=236) 0 11.094297 -13.300712 -10.515493 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=236) 0 12.800240 -13.665438 -10.831196 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=236) 0 12.003957 -12.398479 -11.755410 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=236) 0 8.337500 -13.304999 -14.526211 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=236) 0 7.349785 -12.737552 -14.053078 L N-N--0.382100(PDBName=N,ResName=VAL,ResNum=237) 0 8.288443 -14.099085 -15.601622 L H-H-0.268100(PDBName=H,ResName=VAL,ResNum=237) 0 9.135621 -14.561849 -15.908396 L C-CT--0.343800(PDBName=CA,ResName=VAL,ResNum=237) 0 7.094609 -14.479939 -16.382604 L H-H1-0.143800(PDBName=HA,ResName=VAL,ResNum=237) 0 6.265179 -14.652670 -15.701152 L C-CT-0.194000(PDBName=CB,ResName=VAL,ResNum=237) 0 6.704669 -13.346847 -17.351661 L H-HC-0.030800(PDBName=HB,ResName=VAL,ResNum=237) 0 6.594831 -12.434081 -16.763019 L C-CT--0.306400(PDBName=CG1,ResName=VAL,ResNum=237) 0 7.758249 -13.076052 -18.433683 L H-HC-0.083600(PDBName=HG11,ResName=VAL,ResNum=237) 0 7.449780 -12.232489 -19.048799 L H-HC-0.083600(PDBName=HG12,ResName=VAL,ResNum=237) 0 8.714937 -12.845032 -17.967077 L H-HC-0.083600(PDBName=HG13,ResName=VAL,ResNum=237) 0 7.879533 -13.958762 -19.062641 L C-CT--0.306400(PDBName=CG2,ResName=VAL,ResNum=237) 0 5.352033 -13.611646 -18.019168 L H-HC-0.083600(PDBName=HG21,ResName=VAL,ResNum=237) 0 4.602408 -13.805103 -17.252389 L H-HC-0.083600(PDBName=HG22,ResName=VAL,ResNum=237) 0 5.051803 -12.745756 -18.606783 L H-HC-0.083600(PDBName=HG23,ResName=VAL,ResNum=237) 0 5.422265 -14.484891 -18.668836 L C-C-0.835000(PDBName=C,ResName=VAL,ResNum=237) 0 7.334943 -15.814421 -17.093163 L O-O2--0.817300(PDBName=O,ResName=VAL,ResNum=237) 0 6.343509 -16.550905 -17.276487 L O-O2--0.817300(PDBName=OXT,ResName=VAL,ResNum=237) 0 8.519058 -16.088600 -17.395763 L C-C-1.004947(PDBName=C18,ResName=GDS,ResNum=238) 0 -24.760457 -15.798228 -11.259734 L H-H1 94 0.0000 O-O2--0.856478(PDBName=O5,ResName=GDS,ResNum=238) 0 -24.303523 -14.864445 -11.944598 L O-O2--0.856478(PDBName=O6,ResName=GDS,ResNum=238) 0 -25.362284 -15.729292 -10.171484 L C-CT-0.021774(PDBName=C10,ResName=GDS,ResNum=238) 0 -24.320506 -20.988332 -5.843242 L H-HC 101 0.0000 C-CT-0.090430(PDBName=C6,ResName=GDS,ResNum=238) 0 -25.060047 -22.231329 -5.356142 L C-C-0.795436(PDBName=C20,ResName=GDS,ResNum=238) 0 -24.198571 -22.930734 -4.284388 L O-O2--0.768529(PDBName=O7,ResName=GDS,ResNum=238) 0 -24.638059 -23.032418 -3.120268 L O-O2--0.768529(PDBName=O8,ResName=GDS,ResNum=238) 0 -23.080822 -23.395597 -4.606907 L N-N3--0.516764(PDBName=N6,ResName=GDS,ResNum=238) 0 -26.428467 -21.845311 -4.904340 L H-H-0.336685(PDBName=H23,ResName=GDS,ResNum=238) 0 -26.942536 -22.640166 -4.536078 L H-H-0.336685(PDBName=H24,ResName=GDS,ResNum=238) 0 -26.390241 -21.143479 -4.168283 L H-H-0.336685(PDBName=H26,ResName=GDS,ResNum=238) 0 -26.953702 -21.453847 -5.683537 L H-HP-0.075961(PDBName=H8,ResName=GDS,ResNum=238) 0 -25.158083 -22.921234 -6.194290 L H-HC-0.040870(PDBName=H15,ResName=GDS,ResNum=238) 0 -25.055818 -20.245999 -6.167151 L H-HC-0.040870(PDBName=H16,ResName=GDS,ResNum=238) 0 -23.774265 -20.580179 -4.998858 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=239) -1 -7.703967 -11.088736 -4.887969 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=239) -1 -7.279188 -10.414596 -5.493217 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=239) -1 -7.117680 -10.963897 -4.110940 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=240) -1 -6.179831 5.266166 9.762084 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=240) -1 -5.355615 5.658732 9.395361 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=240) -1 -5.947664 4.310137 9.682819 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=242) -1 17.174180 -10.510107 -2.561899 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=242) -1 16.258319 -10.833489 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H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=253) -1 -9.219021 -19.309876 -1.847158 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=253) -1 -9.947463 -20.608670 -1.636168 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=255) -1 -14.274147 -9.775361 -13.087503 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=255) -1 -13.354159 -9.903664 -12.757737 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=255) -1 -14.721275 -10.474081 -12.527351 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=257) -1 -24.923863 -14.354016 -14.360969 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=257) -1 -24.265150 -13.616950 -14.477461 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=257) -1 -24.689277 -14.582870 -13.413375 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=258) -1 -14.558315 -24.728516 -3.023940 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=258) -1 -13.931990 -23.961150 -3.105979 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=258) -1 -15.241856 -24.430797 -3.675017 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=259) -1 -21.640312 -15.155354 -11.970010 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=259) -1 -22.606092 -14.982436 -12.014102 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=259) -1 -21.311707 -14.523125 -12.635012 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=260) -1 -22.886281 -23.913681 -1.416173 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=260) -1 -22.605527 -24.710948 -1.925358 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=260) -1 -23.552893 -23.558229 -2.069126 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=261) -1 -21.181460 -11.415025 -12.398011 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=261) -1 -20.334122 -11.032232 -12.081649 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=261) -1 -20.844649 -12.214811 -12.855644 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=262) -1 -25.707503 -13.078506 -10.787275 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=262) -1 -25.183138 -13.680483 -11.385687 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=262) -1 -25.555921 -13.561366 -9.944169 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=263) -1 -27.548008 -14.866742 -14.437868 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=263) -1 -26.574993 -14.674911 -14.389640 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=263) -1 -27.875332 -13.994791 -14.709988 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=264) -1 -18.003780 -12.515272 -14.440828 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=264) -1 -17.622820 -11.600883 -14.448730 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=264) -1 -17.375630 -12.921883 -13.779718 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=266) -1 -28.443241 -13.476555 -10.637390 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=266) -1 -27.552860 -13.101458 -10.828512 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=266) -1 -28.201890 -14.430151 -10.573689 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=267) -1 -29.560438 -16.046552 -8.431543 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=267) -1 -30.343557 -15.762037 -8.963347 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=267) -1 -28.882299 -16.016875 -9.155163 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=269) -1 -19.025301 -16.815340 6.810716 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=269) -1 -19.596383 -17.555231 6.564832 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=269) -1 -19.204415 -16.177119 6.094848 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=270) -1 7.604443 -2.894406 -12.433182 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=270) -1 8.029840 -2.991631 -11.550771 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=270) -1 7.636067 -3.833686 -12.729924 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=271) -1 -20.013424 -18.765997 3.053730 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=271) -1 -20.981663 -18.684489 2.986208 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=271) -1 -19.744427 -18.573349 2.131271 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=272) -1 30.250942 11.830167 -2.379270 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=272) -1 29.960737 12.230316 -3.238364 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=272) -1 29.377712 11.824079 -1.919836 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=273) -1 -16.255638 -16.624241 -16.831784 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=273) -1 -16.027127 -16.447857 -17.757738 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=273) -1 -16.732745 -15.776917 -16.614812 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=274) -1 25.213796 -4.567487 -12.737050 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=274) -1 25.149114 -5.393350 -12.202912 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=274) -1 24.273375 -4.299929 -12.748744 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=275) -1 -13.137848 27.060785 2.813796 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=275) -1 -12.374448 26.462471 2.658639 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=275) -1 -13.124761 27.096405 3.797236 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=276) -1 20.214907 -16.517391 -0.322879 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=276) -1 19.307811 -16.331763 0.050864 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=276) -1 20.750156 -16.238264 0.446290 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=277) -1 0.305160 -14.829502 -9.747947 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=277) -1 0.403190 -14.997204 -8.773011 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=277) -1 1.122699 -14.336565 -9.913257 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=278) -1 -27.611461 -10.251420 -8.441194 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=278) -1 -26.882115 -10.236288 -9.095148 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=278) -1 -27.675045 -9.289227 -8.234992 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=279) -1 25.565772 -9.759591 -16.711419 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=279) -1 24.853529 -9.080019 -16.647613 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=279) -1 25.044568 -10.552999 -16.425253 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=280) -1 19.775352 8.152290 -14.832059 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=280) -1 19.841456 9.145917 -14.847523 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=280) -1 19.971151 7.959214 -15.762082 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=281) -1 2.098982 -1.364506 -8.170560 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=281) -1 3.029005 -1.137880 -7.919456 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=281) -1 1.688106 -0.471478 -8.051100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=282) -1 -21.050385 -3.209594 -17.588778 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=282) -1 -21.692251 -3.651825 -16.969871 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=282) -1 -21.368674 -3.554816 -18.435045 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=283) -1 -23.658268 23.127562 -4.550274 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=283) -1 -23.244928 23.097619 -5.438441 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=283) -1 -24.592482 22.940284 -4.787096 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=284) -1 -7.567711 -18.732413 11.415083 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=284) -1 -8.556026 -18.795990 11.365975 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=284) -1 -7.486392 -17.795391 11.710790 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=285) -1 -23.325145 21.557065 10.217815 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=285) -1 -23.083030 20.901042 9.521361 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=285) -1 -23.990322 21.060159 10.711337 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=286) -1 1.980101 8.585104 7.743044 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=286) -1 2.174018 8.112805 8.567534 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=286) -1 2.497311 8.036800 7.102597 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=287) -1 21.865184 12.538181 -2.852665 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=287) -1 22.040385 12.145030 -1.961574 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=287) -1 21.714412 13.473819 -2.579358 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=288) -1 -13.719862 24.058850 -15.966624 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=288) -1 -13.213353 23.566154 -16.627854 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=288) -1 -14.599673 24.115268 -16.409753 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=289) -1 -15.187063 17.079023 2.655581 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=289) -1 -15.954987 16.661543 3.119527 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=289) -1 -14.635211 17.308580 3.440650 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=291) -1 10.121038 19.376545 16.662707 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=291) -1 10.815704 19.189966 15.986671 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=291) -1 9.716531 18.505643 16.749169 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=292) -1 26.795063 1.436884 -9.828330 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=292) -1 27.479823 2.117944 -9.998076 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=292) -1 26.066129 1.778813 -10.393749 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=293) -1 -13.576972 7.174766 -12.169537 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=293) -1 -13.037383 6.579225 -12.740292 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=293) -1 -12.997178 7.196317 -11.368685 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=294) -1 -21.372631 -6.690590 15.766367 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=294) -1 -21.368881 -6.766553 14.779894 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=294) -1 -20.531848 -7.166968 15.959702 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=295) -1 -10.817489 15.162998 -6.355061 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=295) -1 -11.444347 14.771451 -7.017745 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=295) -1 -10.287041 14.346562 -6.165644 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=296) -1 -21.687719 2.326633 -11.332062 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=296) -1 -20.902003 2.537545 -11.896647 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=296) -1 -21.234445 1.876849 -10.585000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=297) -1 -13.737965 8.897527 13.397430 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=297) -1 -14.364060 8.139476 13.469456 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=297) -1 -12.884837 8.403029 13.397323 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=298) -1 35.164114 -0.478350 11.421261 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=298) -1 35.103258 -0.577438 10.429311 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=298) -1 35.974239 -0.987026 11.581839 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=299) -1 19.319015 13.494834 -10.991536 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=299) -1 19.176505 14.193107 -11.649755 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=299) -1 19.222098 12.692268 -11.559835 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=301) -1 26.185842 -7.886771 -13.471146 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=301) -1 25.628983 -7.527451 -12.731933 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=301) -1 25.900879 -7.264263 -14.183467 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=302) -1 -10.133404 4.026199 15.312481 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=302) -1 -9.418165 3.822007 14.660132 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=302) -1 -10.790160 4.431852 14.693846 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=303) -1 18.537172 3.198090 -22.693100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=303) -1 18.730353 2.665132 -21.900601 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=303) -1 17.598121 3.422733 -22.539581 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=304) -1 -20.981650 13.039584 12.815277 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=304) -1 -21.384499 13.209906 11.920765 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=304) -1 -21.723327 13.295405 13.383042 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=305) -1 -18.943232 1.285654 10.689249 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=305) -1 -19.686102 1.906795 10.604994 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=305) -1 -18.194388 1.904514 10.807920 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=306) -1 7.377179 -3.601003 5.171432 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=306) -1 8.239731 -3.642310 4.707138 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=306) -1 6.787665 -3.450253 4.393650 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=307) -1 4.950950 -10.599048 10.916352 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=307) -1 4.412294 -9.772581 10.919907 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=307) -1 5.772242 -10.232331 10.491251 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=308) -1 12.545675 13.727264 -11.411298 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=308) -1 12.572139 13.026607 -12.102798 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=308) -1 13.480213 13.788808 -11.174645 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=309) -1 -10.274794 19.328891 -11.071430 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=309) -1 -10.392627 18.862475 -11.934375 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=309) -1 -10.232825 18.540435 -10.475561 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=310) -1 -10.524561 -1.134725 11.216102 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=310) -1 -10.892492 -1.770991 11.861285 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=310) -1 -9.760620 -0.787536 11.729439 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=311) -1 23.892113 15.409953 -6.476986 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=311) -1 23.532785 16.251416 -6.858229 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=311) -1 23.462203 15.480476 -5.580006 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=312) -1 -11.800086 14.408787 -0.315119 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=312) -1 -12.502577 14.986335 0.083073 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=312) -1 -12.372844 13.622322 -0.516878 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=313) -1 0.398988 -3.838965 14.659488 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=313) -1 0.562994 -4.415748 15.440473 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=313) -1 1.296474 -3.449514 14.552758 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=314) -1 -26.162950 -7.789840 -10.403973 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=314) -1 -26.658992 -7.723694 -9.561975 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=314) -1 -25.904864 -8.734087 -10.384933 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=315) -1 -19.336041 14.437989 -2.461364 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=315) -1 -19.565019 13.548436 -2.834654 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=315) -1 -18.953020 14.841969 -3.277946 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=316) -1 19.642995 -18.807231 -1.636877 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=316) -1 19.877554 -17.980298 -1.151218 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=316) -1 20.314482 -19.414015 -1.296192 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=317) -1 -21.908141 -16.824524 5.475023 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=317) -1 -21.201170 -16.206267 5.207072 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=317) -1 -22.217037 -16.423501 6.298968 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=318) -1 -13.584536 5.126302 11.499046 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=318) -1 -13.287603 5.946791 11.031372 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=318) -1 -14.226949 4.787323 10.817650 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=319) -1 29.238808 12.969251 -4.693412 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=319) -1 30.085436 12.997248 -5.207487 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=319) -1 28.634202 12.672562 -5.414650 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=320) -1 -18.325593 26.236004 3.223755 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=320) -1 -18.219471 25.276163 3.071185 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=320) -1 -17.420933 26.480064 3.508422 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=321) -1 -20.228999 29.139964 -3.298941 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=321) -1 -20.004601 29.395004 -4.223714 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=321) -1 -20.454648 30.000601 -2.921341 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=322) -1 23.777598 6.364529 -13.183118 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=322) -1 24.363658 5.600548 -12.907601 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=322) -1 22.911170 5.964091 -12.934824 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=323) -1 25.112139 -13.987448 -14.169980 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=323) -1 24.175249 -14.083318 -13.862572 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=323) -1 25.324553 -14.911739 -14.366232 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=324) -1 15.887280 9.390981 -13.352594 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=324) -1 15.990456 9.793670 -12.470651 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=324) -1 15.137263 8.767899 -13.173672 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=325) -1 -27.889470 -14.976144 -1.087623 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=325) -1 -27.669567 -14.077758 -0.734533 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=325) -1 -28.877580 -14.891976 -1.104034 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=326) -1 12.356991 14.439549 -6.092565 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=326) -1 11.403134 14.467869 -5.822042 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=326) -1 12.303189 13.644222 -6.691679 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=327) -1 -25.838007 2.154500 -3.788325 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=327) -1 -26.372642 1.438917 -3.375523 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=327) -1 -26.385475 2.335505 -4.582356 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=328) -1 14.793060 15.908551 -5.552360 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=328) -1 15.253610 15.577510 -4.750809 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=328) -1 14.117635 15.215944 -5.675880 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=329) -1 3.011947 -2.862313 -4.187439 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=329) -1 3.832443 -2.934587 -4.746926 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=329) -1 3.095827 -1.906378 -3.942833 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=330) -1 11.846318 16.948505 -7.166490 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=330) -1 12.222034 16.143070 -6.757183 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=330) -1 12.328101 17.640062 -6.662524 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=331) -1 -6.600671 11.316919 16.742719 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=331) -1 -6.965715 10.588085 16.186009 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=331) -1 -5.848308 10.871250 17.153083 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=332) -1 -1.544038 -16.180003 -4.292232 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=332) -1 -2.484768 -16.451842 -4.343090 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=332) -1 -1.188187 -16.679847 -5.065797 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=333) -1 0.695431 -10.748465 14.170875 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=333) -1 0.775916 -11.726890 14.170168 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=333) -1 1.610486 -10.484321 14.005593 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=334) -1 -24.089916 7.627107 5.477772 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=334) -1 -24.170700 6.866225 6.076755 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=334) -1 -23.194458 7.431564 5.085551 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=335) -1 3.195551 6.147106 -2.098679 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=335) -1 4.081875 6.565129 -2.240612 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=335) -1 3.486852 5.215758 -1.967285 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=336) -1 31.819306 10.732921 2.801275 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=336) -1 31.022247 11.117034 3.184919 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=336) -1 31.709924 10.954892 1.853772 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=337) -1 -15.244756 32.330411 -1.784780 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=337) -1 -15.103952 33.159836 -1.307085 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=337) -1 -15.413670 31.716271 -1.026807 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=338) -1 7.547692 11.650919 -7.495998 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=338) -1 8.444485 12.044081 -7.393605 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=338) -1 7.303623 12.036252 -8.365473 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=339) -1 9.113979 -0.975151 -13.599063 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=339) -1 9.459673 -0.783850 -12.694628 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=339) -1 8.501979 -1.718545 -13.374130 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=340) -1 14.152658 18.314141 -2.713078 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=340) -1 15.037424 18.006304 -2.425058 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=340) -1 13.590093 17.623727 -2.282084 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=341) -1 9.725689 14.308539 -5.562929 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=341) -1 9.724161 13.747077 -6.378943 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=341) -1 8.755040 14.451087 -5.471359 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=342) -1 -24.387888 14.176199 2.867446 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=342) -1 -24.680578 13.401821 3.405342 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=342) -1 -23.836276 13.691557 2.196944 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=343) -1 -2.465289 -5.256052 19.201508 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=343) -1 -3.225511 -5.615434 19.700904 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=343) -1 -2.460994 -4.333708 19.534914 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=344) -1 -8.764138 20.897976 4.957717 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=344) -1 -9.433593 20.234410 4.655179 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=344) -1 -9.025620 20.955930 5.906852 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=345) -1 -12.457675 -26.423114 -3.411526 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=345) -1 -13.254794 -25.839084 -3.382056 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=345) -1 -12.803540 -27.174706 -2.873161 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=346) -1 -10.864440 -16.430334 17.315704 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=346) -1 -10.582089 -16.478737 16.358800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=346) -1 -11.582182 -17.108175 17.277001 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=347) -1 27.445707 7.613143 -8.197204 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=347) -1 27.593774 8.567613 -8.036353 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=347) -1 27.449384 7.598730 -9.176082 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=348) -1 -15.758941 -21.528875 2.835207 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=348) -1 -15.293031 -21.446215 3.695032 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=348) -1 -16.661979 -21.256750 3.100956 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=349) -1 15.837488 1.436297 -20.452849 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=349) -1 15.650602 2.190917 -21.043165 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=349) -1 14.947002 1.226547 -20.117674 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=350) -1 20.118285 1.854453 14.342712 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=350) -1 20.623731 2.694498 14.446189 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=350) -1 20.627200 1.280895 14.959833 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=351) -1 25.144969 -14.837611 -9.554743 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=351) -1 24.434967 -15.249313 -10.099972 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=351) -1 25.027145 -13.900408 -9.799723 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=352) -1 -12.213049 3.216437 20.851323 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=352) -1 -11.402264 2.659003 20.804602 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=352) -1 -11.884476 3.975502 21.353540 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=353) -1 3.829153 -13.640642 -3.260516 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=353) -1 4.647800 -13.300489 -2.829995 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=353) -1 3.182332 -13.461042 -2.541577 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=354) -1 -11.888285 3.749431 -15.747752 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=354) -1 -12.277078 3.653109 -16.629299 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=354) -1 -11.703242 2.806440 -15.526113 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=355) -1 -20.942512 -6.914065 13.078494 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=355) -1 -19.963706 -6.822642 13.167562 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=355) -1 -21.089773 -6.211834 12.383637 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=356) -1 -26.368357 -28.770675 -5.245811 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=356) -1 -26.562295 -28.537095 -4.318181 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=356) -1 -25.543039 -28.264735 -5.386053 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=357) -1 -11.850283 -25.627552 0.176720 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=357) -1 -12.809210 -25.657433 -0.045003 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=357) -1 -11.789060 -26.338928 0.829251 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=358) -1 -9.281946 -6.930490 20.166557 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=358) -1 -8.540197 -7.510753 20.436246 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=358) -1 -9.157355 -6.190242 20.804874 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=359) -1 -8.157172 16.288380 -0.756681 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=359) -1 -8.303611 15.700687 0.021197 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=359) -1 -8.746732 15.829323 -1.403801 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=360) -1 -12.988394 29.490971 -6.634342 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=360) -1 -12.746283 28.715998 -7.203177 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=360) -1 -12.280872 29.368528 -5.942399 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=361) -1 -4.355401 -16.545252 -4.797734 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=361) -1 -4.349640 -15.753444 -4.209053 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=361) -1 -5.156515 -16.998241 -4.431819 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=362) -1 12.650945 15.338777 7.606802 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=362) -1 12.565808 16.258007 7.270253 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=362) -1 13.567257 15.138395 7.333996 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=363) -1 8.680895 -2.635822 -16.771662 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=363) -1 8.790270 -3.284677 -16.026062 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=363) -1 8.342850 -3.229117 -17.459371 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=364) -1 -21.803738 -1.725462 -14.035063 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=364) -1 -22.228705 -0.899898 -13.690795 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=364) -1 -22.561998 -2.349210 -13.904509 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=365) -1 33.397945 -4.683035 6.195118 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=365) -1 32.467194 -4.358312 6.183158 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=365) -1 33.615370 -4.539323 5.239081 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=366) -1 -24.344147 5.910379 -4.636935 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=366) -1 -25.137940 5.584407 -5.112128 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=366) -1 -24.228400 5.185088 -3.981579 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=367) -1 7.326841 15.387812 -7.843774 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=367) -1 8.181647 15.810838 -8.078274 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=367) -1 7.275567 14.715502 -8.558132 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=368) -1 -13.843521 -27.915825 -1.555957 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=368) -1 -14.591630 -28.505691 -1.413435 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=368) -1 -14.140064 -27.104582 -1.089737 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=369) -1 -3.137321 -5.746971 -13.398379 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=369) -1 -3.184659 -6.606373 -13.836637 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=369) -1 -4.073805 -5.454735 -13.446932 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=370) -1 -0.762166 6.487270 -7.262212 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=370) -1 -0.206587 6.477218 -8.059444 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=370) -1 -0.056657 6.369830 -6.569202 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=371) -1 -22.590874 -4.431154 -15.828556 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=371) -1 -21.954270 -4.894855 -15.239526 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=371) -1 -23.211370 -4.077837 -15.152707 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=372) -1 31.346986 -3.486232 17.190626 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=372) -1 31.633085 -2.984817 16.399329 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=372) -1 30.443738 -3.127058 17.305003 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=374) -1 5.752414 -13.042635 11.884854 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=374) -1 4.929677 -13.256829 12.376721 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=374) -1 5.611493 -12.081402 11.735882 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=375) -1 9.594088 13.570836 2.360916 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=375) -1 10.313486 14.151334 2.720190 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=375) -1 8.831584 14.160436 2.468305 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=376) -1 16.308859 12.893642 14.347611 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=376) -1 15.606706 12.813085 13.648574 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=376) -1 16.764325 12.033943 14.196766 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=377) -1 -29.331266 -16.119161 -12.760411 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=377) -1 -28.745692 -16.115468 -11.971491 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=377) -1 -28.745496 -15.660984 -13.404884 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=378) -1 -8.257057 -18.665746 -5.652399 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=378) -1 -8.922937 -18.021463 -5.975723 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=378) -1 -8.486700 -19.442535 -6.212989 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=379) -1 -19.948008 12.240553 -3.931713 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=379) -1 -20.319367 11.340833 -4.091098 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=379) -1 -19.110973 12.160642 -4.448479 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=380) -1 3.414382 3.767312 -6.450611 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=380) -1 3.722760 2.901287 -6.131878 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=380) -1 2.519750 3.799007 -6.022134 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=381) -1 -14.298655 18.258913 9.500326 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=381) -1 -14.602039 19.026335 8.966829 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=381) -1 -15.166120 18.001953 9.912471 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=382) -1 34.407134 -3.088715 -1.828788 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=382) -1 34.151365 -4.036220 -1.759016 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=382) -1 34.075842 -2.869602 -2.708131 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=383) -1 -12.264186 -5.939233 -13.198207 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=383) -1 -12.481846 -6.579433 -13.913433 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=383) -1 -13.173503 -5.717884 -12.899325 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=384) -1 -7.367095 -8.810180 20.908247 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=384) -1 -7.358316 -8.946262 21.870912 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=384) -1 -6.430971 -8.484762 20.787022 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=385) -1 11.880901 18.448120 14.829897 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=385) -1 11.760050 17.518168 14.498767 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=385) -1 12.705760 18.677854 14.379716 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=386) -1 35.536868 0.541405 1.318390 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=386) -1 34.916046 0.989031 0.697943 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=386) -1 35.762754 -0.249743 0.767826 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=387) -1 -18.643583 16.832686 8.997240 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=387) -1 -18.563464 16.586760 8.054543 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=387) -1 -19.615616 16.992495 9.050601 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=388) -1 -21.678747 23.628650 9.752461 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=388) -1 -22.300551 22.874990 9.906957 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=388) -1 -21.822017 24.145320 10.555302 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=389) -1 13.204168 10.055415 15.627045 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=389) -1 13.791849 9.950757 14.839200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=389) -1 13.609280 10.873024 16.010464 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=390) -1 -19.170519 -4.996667 -11.759375 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=390) -1 -19.751523 -5.048773 -10.964633 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=390) -1 -19.255274 -4.033067 -11.954022 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=391) -1 1.078200 10.845352 0.622630 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=391) -1 1.990403 10.489798 0.435160 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=391) -1 0.827978 10.213972 1.341882 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=392) -1 -4.624599 6.666560 17.861596 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=392) -1 -3.862929 7.234114 18.060246 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=392) -1 -4.150537 5.917178 17.398826 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=393) -1 -12.195309 0.252031 19.239858 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=393) -1 -12.455264 0.995186 18.654633 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=393) -1 -12.532748 -0.505232 18.694332 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=394) -1 -10.498406 28.789825 -13.743248 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=394) -1 -9.997662 29.614926 -13.765508 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=394) -1 -11.383228 29.112148 -13.458079 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=395) -1 -31.565610 -22.501071 -4.766117 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=395) -1 -31.129280 -22.371130 -3.893974 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=395) -1 -31.231633 -23.405086 -4.978177 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=396) -1 20.473279 -2.734058 -16.593432 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=396) -1 19.797508 -3.434416 -16.772978 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=396) -1 20.241306 -2.519798 -15.665550 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=397) -1 -2.414333 -8.229745 16.802562 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=397) -1 -3.394599 -8.103020 16.850126 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=397) -1 -2.369382 -9.038022 16.252306 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=398) -1 8.322951 6.499120 7.899814 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=398) -1 7.812452 6.178074 8.691812 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=398) -1 8.355636 7.447112 8.098858 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=399) -1 -3.645346 -14.203665 -12.666381 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=399) -1 -4.395578 -13.844277 -13.202087 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=399) -1 -3.586078 -15.102915 -13.052058 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=400) -1 -24.091786 1.010277 1.878236 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=400) -1 -24.167785 0.116093 1.473222 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=400) -1 -23.880510 0.744301 2.808898 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=401) -1 -14.411775 -16.042259 15.545958 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=401) -1 -15.376656 -16.137688 15.539373 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=401) -1 -14.285015 -15.646815 16.449261 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=402) -1 26.500414 5.573874 -3.888032 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=402) -1 27.150620 5.738052 -4.624465 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=402) -1 25.705357 5.398575 -4.450691 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=403) -1 -4.426237 -1.623066 22.615047 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=403) -1 -3.974039 -1.417789 23.448415 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=403) -1 -5.017651 -0.822167 22.547097 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=404) -1 -30.550672 -14.997321 -1.438286 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=404) -1 -30.749709 -14.609439 -2.318205 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=404) -1 -31.077388 -15.820175 -1.484518 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=405) -1 -0.040441 -15.426049 2.135486 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=405) -1 -0.285736 -15.575687 3.076162 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=405) -1 -0.857916 -14.974240 1.819285 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=406) -1 -23.158931 20.315866 4.395970 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=406) -1 -23.216761 19.552359 5.010545 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=406) -1 -22.945217 19.846622 3.558169 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=407) -1 -14.637911 -17.718281 9.570356 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=407) -1 -15.340466 -17.339481 8.995686 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=407) -1 -14.539810 -16.959259 10.207206 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=408) -1 12.792138 5.823500 -18.800137 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=408) -1 13.176071 5.553791 -17.935918 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=408) -1 12.659372 4.938557 -19.204249 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=409) -1 6.785577 -5.703668 1.182580 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=409) -1 7.383234 -6.353212 0.722531 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=409) -1 6.438923 -5.252696 0.365802 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=410) -1 16.810931 20.099516 3.367646 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=410) -1 16.234124 20.202414 2.564841 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=410) -1 17.178589 19.198613 3.145781 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=411) -1 10.901878 -1.513769 -15.610969 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=411) -1 10.317305 -1.254586 -14.856383 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=411) -1 10.218647 -1.916682 -16.197951 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=412) -1 8.483663 -7.132721 -7.170173 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=412) -1 9.442850 -6.900116 -7.211775 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=412) -1 8.329419 -7.004248 -6.205701 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=413) -1 -26.674244 1.836953 2.207223 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=413) -1 -26.802354 1.195527 2.950371 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=413) -1 -25.730816 1.634266 1.998204 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=414) -1 10.096546 4.914475 11.515296 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=414) -1 10.451220 5.254330 10.668036 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=414) -1 10.645634 5.413982 12.153790 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=415) -1 22.468431 15.860367 -4.254758 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=415) -1 21.613329 16.302308 -4.456757 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=415) -1 22.293359 15.561887 -3.338695 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=416) -1 -22.197982 -25.602979 -3.476898 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=416) -1 -22.545698 -24.796733 -3.935710 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=416) -1 -21.289451 -25.613548 -3.829352 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=417) -1 20.951756 -17.805475 -13.954469 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=417) -1 20.029330 -17.912445 -14.274657 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=417) -1 21.090627 -16.864205 -14.258084 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=418) -1 24.224140 19.855410 -10.845364 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=418) -1 24.237249 18.912353 -10.556070 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=418) -1 23.553870 20.215877 -10.252873 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=419) -1 -21.302002 -7.661606 -11.000175 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=419) -1 -20.357274 -7.817647 -11.231590 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=419) -1 -21.194421 -6.924370 -10.362248 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=420) -1 13.852237 15.139370 4.537282 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=420) -1 14.436458 14.749273 5.213866 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=420) -1 14.302941 16.005907 4.397744 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=421) -1 5.859962 -12.521488 -1.761677 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=421) -1 6.790167 -12.598846 -1.464615 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=421) -1 5.637756 -11.626976 -1.456690 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=422) -1 -15.368766 5.225303 -11.396783 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=422) -1 -14.904020 6.073042 -11.571027 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=422) -1 -15.331275 4.831120 -12.298626 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=423) -1 -3.613246 -17.663959 -7.120925 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=423) -1 -3.890151 -17.151338 -6.316662 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=423) -1 -4.299561 -18.353045 -7.119094 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=424) -1 -9.607742 28.927742 -2.805609 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=424) -1 -8.817358 28.478307 -2.422146 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=424) -1 -10.181943 28.968963 -2.018528 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=425) -1 -7.739074 23.527825 -10.790873 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=425) -1 -7.113771 22.850752 -10.431803 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=425) -1 -7.757818 24.139784 -10.016389 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=426) -1 31.369986 11.266787 0.121266 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=426) -1 31.154140 11.431504 -0.824755 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=426) -1 31.938233 10.463937 0.017397 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=427) -1 -8.103906 -16.845331 -13.041461 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=427) -1 -7.226349 -16.751008 -12.608513 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=427) -1 -8.555374 -16.049236 -12.695370 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=428) -1 23.906069 0.605315 -9.442472 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=428) -1 24.264029 1.124112 -8.686283 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=428) -1 24.074302 1.262384 -10.165432 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=429) -1 -17.846005 -2.715543 17.098551 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=429) -1 -18.348582 -2.361387 16.348028 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=429) -1 -18.297843 -3.589624 17.209814 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=430) -1 -24.943413 -3.641315 -0.916853 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=430) -1 -24.676982 -4.367656 -0.313605 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=430) -1 -24.322770 -3.817397 -1.669849 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=431) -1 13.256563 -18.256606 1.179575 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=431) -1 13.171631 -17.344577 1.558041 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=431) -1 14.219886 -18.228563 0.952932 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=432) -1 -21.297148 17.393980 8.876160 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=432) -1 -21.732012 18.265972 8.967778 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=432) -1 -22.078741 16.825319 8.718928 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=433) -1 18.384132 2.111004 -20.057075 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=433) -1 18.151140 3.025932 -19.791069 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=433) -1 17.474805 1.752835 -20.218007 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=434) -1 -20.718054 6.069473 -5.759370 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=434) -1 -21.534692 5.918328 -6.306799 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=434) -1 -20.478164 5.106619 -5.624608 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=435) -1 -7.935367 25.531285 -12.646415 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=435) -1 -7.869462 24.721641 -12.085654 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=435) -1 -7.058789 25.530862 -13.060907 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=436) -1 9.033590 -8.275781 -9.565572 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=436) -1 8.720162 -8.067720 -8.653937 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=436) -1 9.843823 -8.786922 -9.343831 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=437) -1 -5.286215 -1.438495 -10.989242 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=437) -1 -5.630429 -1.041379 -11.820725 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=437) -1 -4.963724 -0.618073 -10.545079 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=438) -1 20.109796 10.009746 12.856315 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=438) -1 20.471464 10.930601 12.845904 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=438) -1 20.756545 9.597561 12.225929 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=439) -1 23.872676 17.420451 -9.696317 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=439) -1 23.291079 17.491157 -8.904429 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=439) -1 23.958196 16.449071 -9.756544 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=440) -1 -17.541895 12.870307 -8.957065 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=440) -1 -18.368293 13.371201 -8.784106 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=440) -1 -17.819375 11.978379 -8.652898 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=441) -1 10.626849 15.150096 -3.007280 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=441) -1 10.267700 14.278215 -2.742065 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=441) -1 10.312342 15.188848 -3.934083 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=442) -1 6.376462 -6.353889 -8.707821 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=442) -1 7.109180 -6.704616 -8.145335 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=442) -1 6.251027 -5.479730 -8.256678 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=443) -1 -11.742314 -9.661059 -15.775895 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=443) -1 -11.104519 -10.042591 -15.129941 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=443) -1 -11.761640 -10.356292 -16.446480 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=444) -1 12.853565 -19.805747 -2.777840 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=444) -1 12.251801 -19.426871 -2.102109 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=444) -1 13.547912 -20.184456 -2.190676 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=445) -1 15.500637 -12.426690 10.692162 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=445) -1 16.425502 -12.120318 10.881695 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=445) -1 15.695222 -13.393544 10.598974 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=446) -1 -21.480212 -9.268445 9.518799 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=446) -1 -22.187847 -8.604958 9.707306 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=446) -1 -21.067472 -8.826625 8.736248 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=447) -1 -15.481354 14.464241 -6.056320 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=447) -1 -15.303309 13.543654 -5.755309 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=447) -1 -15.368814 14.340967 -7.026366 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=448) -1 29.125669 8.225923 14.026717 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=448) -1 30.014290 7.993927 14.416857 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=448) -1 28.723048 7.326153 14.055275 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=449) -1 9.253571 -6.201502 3.977954 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=449) -1 9.220575 -5.327545 3.526179 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=449) -1 9.941594 -6.013611 4.652637 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=450) -1 -10.110438 15.217716 -2.280001 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=450) -1 -10.482485 14.598542 -2.962851 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=450) -1 -10.689741 14.936539 -1.521784 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=451) -1 -18.730598 26.201424 -4.826401 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=451) -1 -18.810102 26.781423 -5.628575 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=451) -1 -18.891351 25.328383 -5.287684 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=452) -1 -15.167269 11.885314 -5.259333 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=452) -1 -14.701012 11.992788 -4.383747 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=452) -1 -14.719068 11.056370 -5.549266 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=453) -1 22.529962 -6.760179 -13.072131 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=453) -1 23.345842 -6.933024 -12.527303 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=453) -1 22.512628 -5.773174 -12.983996 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=454) -1 -11.258139 5.010773 -8.730567 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=454) -1 -10.524188 4.490360 -9.114860 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=454) -1 -12.028876 4.478703 -9.030887 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=455) -1 24.581831 -4.020410 -16.875658 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=455) -1 23.930223 -3.689569 -17.547682 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=455) -1 24.528739 -3.252198 -16.248004 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=456) -1 -8.240267 20.595182 0.441686 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=456) -1 -8.016793 20.874204 1.356473 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=456) -1 -9.222027 20.522345 0.526694 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=457) -1 -6.921132 5.065954 -9.455662 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=457) -1 -7.800960 4.816433 -9.844224 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=457) -1 -6.350883 4.498158 -10.040922 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=458) -1 -20.954492 13.992112 -5.699848 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=458) -1 -20.227710 14.635822 -5.500849 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=458) -1 -20.726570 13.317714 -5.004987 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=459) -1 -19.029242 28.043861 1.415793 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=459) -1 -19.869716 27.710499 1.033099 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=459) -1 -18.912523 27.379476 2.143247 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=460) -1 -13.296095 -1.558921 17.633132 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=460) -1 -14.266559 -1.424683 17.578098 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=460) -1 -13.208886 -2.474409 17.333216 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=461) -1 -26.690587 -0.038206 -10.243560 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=461) -1 -26.910786 -0.986685 -10.057115 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=461) -1 -27.156072 0.077962 -11.089683 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=462) -1 11.674628 17.705894 4.227557 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=462) -1 12.246465 18.366582 3.773449 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=462) -1 12.014452 17.791116 5.143264 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=463) -1 -22.797684 22.810702 -7.219127 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=463) -1 -23.729503 22.502684 -7.357037 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=463) -1 -22.728303 23.436427 -7.976257 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=464) -1 8.509538 -12.950660 -0.871645 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=464) -1 9.217535 -12.487005 -0.376219 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=464) -1 9.071429 -13.401140 -1.557765 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=465) -1 -5.719716 -4.877714 -13.186082 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=465) -1 -6.172943 -4.104820 -13.599731 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=465) -1 -5.516934 -4.491676 -12.302200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=466) -1 -11.743901 21.374666 -12.078740 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=466) -1 -11.273625 20.710835 -11.513466 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=466) -1 -12.231994 20.747294 -12.665391 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=467) -1 27.283547 7.965427 -11.013540 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=467) -1 27.330512 7.893169 -12.001754 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=467) -1 26.634387 8.712531 -10.954709 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=468) -1 8.733543 -2.899672 -9.962894 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=468) -1 8.792947 -3.854600 -9.732636 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=468) -1 7.928787 -2.654922 -9.446864 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=469) -1 11.487945 -15.483698 8.312268 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=469) -1 12.263498 -14.887019 8.358772 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=469) -1 11.859936 -16.207124 7.760855 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=470) -1 21.797175 12.791883 -14.639820 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=470) -1 22.472939 12.262263 -14.145848 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=470) -1 22.249673 13.642041 -14.702301 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=471) -1 -14.385185 26.416372 -9.467658 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=471) -1 -15.256320 26.724926 -9.117196 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=471) -1 -14.114011 27.205150 -9.971269 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=472) -1 3.457715 6.908968 6.200827 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=472) -1 4.424011 6.814332 6.386788 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=472) -1 3.282000 5.977045 5.907378 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=473) -1 -16.854118 20.318051 -0.763493 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=473) -1 -15.879962 20.191827 -0.905823 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=473) -1 -17.177853 19.766384 -1.511026 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=474) -1 -9.255409 -1.353839 -14.688040 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=474) -1 -8.671597 -2.118690 -14.560821 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=474) -1 -10.126322 -1.720254 -14.459696 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=475) -1 -24.456223 -16.784839 -15.440026 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=475) -1 -24.619366 -15.875983 -15.096154 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=475) -1 -23.524106 -16.723515 -15.686056 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=476) -1 -12.295403 -23.036744 0.968099 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=476) -1 -11.871766 -22.398478 0.346498 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=476) -1 -11.954135 -23.881080 0.604737 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=477) -1 2.986717 3.153652 -11.696496 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=477) -1 3.189507 3.414747 -10.758515 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=477) -1 3.832248 3.442992 -12.112750 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=478) -1 11.106886 -6.801700 -7.778740 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=478) -1 11.382707 -7.676745 -8.115131 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=478) -1 11.623888 -6.205436 -8.352002 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=479) -1 11.441557 -18.380698 -0.879287 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=479) -1 12.126516 -18.427041 -0.170415 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=479) -1 10.710681 -17.965331 -0.360059 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=480) -1 0.707421 -15.291020 -7.152170 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=480) -1 0.154519 -16.030389 -6.830970 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=480) -1 1.098605 -14.981295 -6.305000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=481) -1 5.617440 7.278412 -2.303935 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=481) -1 5.684586 7.879082 -1.524905 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=481) -1 6.535421 6.915337 -2.303145 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=482) -1 25.237834 7.978790 -14.814507 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=482) -1 24.665237 7.328893 -14.348840 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=482) -1 24.591081 8.646453 -15.076416 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=483) -1 -18.759108 24.406157 -17.830686 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=483) -1 -19.491729 24.176061 -18.412206 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=483) -1 -19.176724 24.346830 -16.947023 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=484) -1 -27.541114 -7.603376 -7.973190 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=484) -1 -27.911097 -6.756058 -8.341188 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=484) -1 -27.516131 -7.343141 -7.020983 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=485) -1 -28.929616 22.433209 -1.134095 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=485) -1 -29.231438 22.505744 -0.208089 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=485) -1 -29.472846 21.678820 -1.447868 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=486) -1 -16.222357 24.292796 -16.883934 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=486) -1 -17.044983 24.336163 -17.432752 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=486) -1 -16.248685 25.217238 -16.515367 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=487) -1 -20.014399 -9.266415 11.778547 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=487) -1 -20.537694 -8.567811 12.223999 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=487) -1 -20.549439 -9.372246 10.953840 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=488) -1 -7.891812 26.466484 0.937792 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=488) -1 -8.066370 25.507265 1.094850 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=488) -1 -7.327986 26.672568 1.697413 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=489) -1 3.668548 -5.521303 -8.339033 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=489) -1 4.308521 -4.830373 -8.045913 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=489) -1 4.298044 -6.157868 -8.739459 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=490) -1 27.285749 3.480485 -7.439744 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=490) -1 27.680507 3.429702 -8.339945 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=490) -1 26.430188 3.033453 -7.600764 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=491) -1 -13.700088 18.045757 4.688596 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=491) -1 -13.106435 17.275361 4.885942 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=491) -1 -13.277057 18.703347 5.304116 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=492) -1 -11.346864 -24.694439 -5.381081 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=492) -1 -10.810006 -24.228701 -4.708916 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=492) -1 -11.705167 -25.431170 -4.846758 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=493) -1 0.701451 -13.500018 13.974556 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=493) -1 0.295623 -14.172486 14.570230 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=493) -1 -0.046092 -13.398009 13.334706 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=494) -1 10.957404 -12.730831 6.639503 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=494) -1 11.695232 -13.164459 7.125083 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=494) -1 11.329400 -11.824881 6.558901 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=495) -1 12.747903 16.269965 -1.605164 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=495) -1 12.645129 15.777102 -0.768356 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=495) -1 11.971633 15.929811 -2.106346 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=496) -1 -18.179068 15.016615 0.018078 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=496) -1 -17.283603 14.604745 0.043402 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=496) -1 -18.382188 14.899567 -0.938452 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=497) -1 -16.163650 -7.857212 -12.476086 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=497) -1 -15.420731 -8.487488 -12.588574 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=497) -1 -15.676351 -7.005144 -12.548100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=498) -1 27.392434 9.825834 -4.993406 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=498) -1 27.095744 9.960698 -4.070560 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=498) -1 26.790144 9.092875 -5.261965 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=499) -1 5.497488 -15.271149 7.190100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=499) -1 5.898726 -14.912661 8.017941 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=499) -1 6.314608 -15.653565 6.782891 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=500) -1 11.815752 15.990944 13.803475 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=500) -1 11.306104 15.628160 13.035028 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=500) -1 12.248060 15.154947 14.099752 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=501) -1 -25.792268 20.637133 3.307684 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=501) -1 -25.647635 19.667462 3.139080 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=501) -1 -24.996794 20.809007 3.859780 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=502) -1 27.801506 12.096011 -1.118643 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=502) -1 28.174138 12.555710 -0.334172 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=502) -1 27.533621 12.880398 -1.659000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=503) -1 4.572712 -0.839791 -7.158883 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=503) -1 4.847788 -0.082950 -6.615734 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=503) -1 4.807967 -1.589768 -6.554621 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=504) -1 -24.618764 16.196453 4.626422 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=504) -1 -24.460885 15.496541 3.936154 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=504) -1 -24.926379 15.594900 5.355196 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=505) -1 25.925302 14.987671 13.066779 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=505) -1 26.148328 14.749567 12.138684 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=505) -1 26.403911 14.264348 13.536339 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=506) -1 -22.167455 9.871400 7.907605 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=506) -1 -21.832459 9.410843 8.717967 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=506) -1 -21.490075 9.550195 7.261937 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=507) -1 14.114963 -18.888107 -9.728608 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=507) -1 15.073939 -18.756139 -9.550643 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=507) -1 13.929198 -18.072703 -10.239261 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=508) -1 -27.605179 0.394166 -7.529445 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=508) -1 -27.541139 -0.583421 -7.344301 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=508) -1 -27.339958 0.391544 -8.470203 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=509) -1 12.847734 -10.622798 6.674747 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=509) -1 13.135646 -10.666459 7.615978 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=509) -1 13.682427 -10.876638 6.230338 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=511) -1 21.823639 11.700654 4.193450 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=511) -1 20.913523 11.947957 4.462506 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=511) -1 22.159500 11.341923 5.048162 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=512) -1 31.021541 4.648766 15.010587 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=512) -1 31.792275 4.284148 14.519097 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=512) -1 30.738045 3.815372 15.480280 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=513) -1 -29.793795 -2.135322 -5.682005 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=513) -1 -29.042972 -2.267317 -6.302908 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=513) -1 -29.699222 -2.959929 -5.142841 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=514) -1 -16.914600 29.564330 2.440122 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=514) -1 -17.792109 29.211966 2.190185 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=514) -1 -16.601250 28.863336 3.043407 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=515) -1 28.881803 -8.611472 -13.019125 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=515) -1 28.641485 -9.426509 -13.494328 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=515) -1 28.042345 -8.114390 -13.075587 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=516) -1 13.995238 10.274926 -15.197912 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=516) -1 14.798077 10.079017 -14.674487 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=516) -1 13.594758 10.985261 -14.663034 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=517) -1 0.648142 11.869128 -1.856549 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=517) -1 -0.038884 11.194671 -2.071211 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=517) -1 0.931275 11.528231 -0.975934 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=518) -1 -6.251638 -7.445111 -12.625718 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=518) -1 -5.723959 -7.378409 -11.800142 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=518) -1 -6.131188 -6.531213 -12.972321 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=519) -1 -3.684650 -19.829697 10.400597 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=519) -1 -3.612781 -18.884422 10.152976 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=519) -1 -4.545771 -20.053286 9.989632 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=520) -1 33.598726 -5.698404 -1.796078 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=520) -1 33.367408 -5.889390 -2.745756 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=520) -1 33.092027 -6.438100 -1.380006 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=521) -1 -21.168253 -21.883671 -0.894440 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=521) -1 -21.730463 -22.670988 -1.095679 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=521) -1 -20.490018 -21.992058 -1.603785 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=522) -1 32.455272 -7.874278 -0.619093 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=522) -1 32.881737 -7.748358 0.264125 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=522) -1 32.788205 -8.752483 -0.854719 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=523) -1 -21.375247 9.035531 -9.233188 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=523) -1 -21.984423 8.281461 -9.425834 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=523) -1 -20.925519 8.680889 -8.435204 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=524) -1 -2.620138 11.160138 -0.331571 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=524) -1 -2.018559 11.884970 -0.059333 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=524) -1 -2.081222 10.745166 -1.042709 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=525) -1 -13.979513 15.660868 0.715171 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=525) -1 -14.717562 15.100447 0.397826 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=525) -1 -14.459952 16.207335 1.382170 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=526) -1 -13.350758 8.436302 1.661603 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=526) -1 -13.764009 9.289319 1.401833 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=526) -1 -13.190332 8.036999 0.787698 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=527) -1 -24.255029 2.359450 8.756489 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=527) -1 -24.895322 1.811261 8.237027 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=527) -1 -23.785235 2.799937 8.014900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=528) -1 -8.735486 -0.040973 22.076303 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=528) -1 -8.424600 -0.661367 21.380226 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=528) -1 -9.225072 0.606019 21.519059 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=529) -1 10.631084 -12.977362 -5.769507 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=529) -1 10.967867 -13.704142 -6.349602 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=529) -1 9.837660 -13.425037 -5.399309 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=530) -1 33.735139 6.569955 13.705435 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=530) -1 33.534744 5.608169 13.626888 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=530) -1 34.271866 6.711728 12.916332 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=531) -1 -9.429071 6.286131 16.741819 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=531) -1 -9.644803 5.486322 16.220847 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=531) -1 -8.512037 6.459014 16.444191 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=532) -1 30.475794 3.109602 7.460191 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=532) -1 30.438127 2.909515 6.495459 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=532) -1 29.921535 3.919188 7.482191 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=533) -1 16.944988 -17.957377 -4.353635 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=533) -1 17.900270 -17.873179 -4.570308 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=533) -1 16.553319 -17.815266 -5.241926 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=534) -1 -8.584946 16.127126 15.990348 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=534) -1 -8.276998 15.187304 16.058597 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=534) -1 -7.810647 16.587850 16.346083 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=535) -1 -18.504680 14.988644 -5.040266 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=535) -1 -18.091099 14.119125 -5.259660 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=535) -1 -17.905103 15.581254 -5.546752 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=536) -1 -9.001671 25.015233 -2.162204 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=536) -1 -8.647397 24.138202 -1.878786 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=536) -1 -8.975506 24.890637 -3.139200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=537) -1 -17.720920 21.077602 1.673700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=537) -1 -16.981123 20.583445 2.122898 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=537) -1 -17.482953 20.825273 0.737135 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=538) -1 21.004700 19.758910 -6.801404 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=538) -1 20.682210 19.844586 -5.884497 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=538) -1 20.170040 19.490294 -7.250516 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=539) -1 9.999915 15.675784 -8.666800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=539) -1 10.637050 16.269016 -8.194808 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=539) -1 10.195040 14.830986 -8.214962 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=540) -1 -26.611070 -22.502717 0.001166 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=540) -1 -25.732239 -22.624746 0.420785 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=540) -1 -26.630822 -23.297594 -0.578175 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=541) -1 5.225443 -12.418543 4.084658 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=541) -1 5.674579 -11.532275 4.051253 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=541) -1 6.050889 -12.979979 4.115580 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=542) -1 -22.861917 19.129597 1.948886 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=542) -1 -23.724622 18.697696 2.140987 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=542) -1 -22.356749 18.340890 1.631700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=543) -1 0.518962 -5.557329 16.735765 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=543) -1 0.378058 -6.123080 17.522257 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=543) -1 1.447459 -5.269033 16.889938 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=544) -1 17.267254 -6.001653 14.886288 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=544) -1 17.337725 -6.848846 15.356151 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=544) -1 18.177654 -5.949768 14.495726 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=545) -1 15.970402 -16.479456 -11.542368 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=545) -1 16.288899 -16.969575 -10.754072 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=545) -1 15.059675 -16.261626 -11.251522 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=546) -1 16.271006 -17.274191 5.779601 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=546) -1 16.577646 -17.918188 5.128449 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=546) -1 15.494405 -16.888427 5.311092 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=547) -1 9.938144 -0.687519 -10.993523 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=547) -1 10.794764 -0.661001 -10.544064 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=547) -1 9.521392 -1.464631 -10.551296 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=548) -1 -16.408635 -17.068684 7.535129 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=548) -1 -16.112742 -16.372898 6.902011 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=548) -1 -17.385135 -16.974363 7.426541 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=549) -1 29.292828 7.776737 6.511264 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=549) -1 29.993776 8.146316 7.112725 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=549) -1 29.872557 7.531307 5.750798 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=550) -1 23.775801 9.068382 -3.695131 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=550) -1 23.276105 9.293055 -4.528092 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=550) -1 24.106587 9.988230 -3.502650 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=551) -1 23.525243 -13.833554 3.512743 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=551) -1 23.234865 -14.585213 4.072769 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=551) -1 22.931240 -13.968222 2.736863 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=552) -1 30.147890 7.778156 -12.537821 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=552) -1 30.022472 6.896322 -12.143968 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=552) -1 29.368203 7.825452 -13.129404 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=553) -1 33.041339 3.995512 13.209286 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=553) -1 33.529480 3.201837 12.873495 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=553) -1 32.412199 4.096281 12.443582 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=554) -1 -25.152283 14.251885 6.418613 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=554) -1 -25.236991 13.587290 5.686183 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=554) -1 -25.245331 13.609176 7.179172 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=555) -1 -18.963263 27.658287 -7.093738 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=555) -1 -19.708865 27.230079 -7.579020 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=555) -1 -19.403269 28.471606 -6.777743 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=556) -1 0.424843 2.053451 -11.502987 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=556) -1 1.203263 2.641653 -11.642220 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=556) -1 0.900533 1.224974 -11.253095 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=557) -1 -9.742996 20.909244 7.510919 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=557) -1 -10.567738 20.999233 8.042765 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=557) -1 -9.132727 20.566950 8.179460 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=558) -1 -16.339519 19.144819 -12.429568 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=558) -1 -15.610885 18.511271 -12.649920 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=558) -1 -17.025304 18.476588 -12.159858 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=559) -1 14.210374 -2.707042 14.126920 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=559) -1 14.279931 -2.566791 13.158391 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=559) -1 14.045597 -1.780034 14.417303 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=560) -1 -13.605923 32.159957 -6.981797 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=560) -1 -14.019804 32.306315 -6.107131 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=560) -1 -13.203859 31.276523 -6.834776 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=561) -1 -11.572470 -14.336675 18.827899 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=561) -1 -11.262826 -15.068825 18.240976 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=561) -1 -11.185397 -13.568194 18.348104 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=562) -1 24.956990 11.080257 14.361785 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=562) -1 24.279923 10.599972 14.855899 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=562) -1 24.423470 11.462919 13.628928 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=563) -1 -14.557467 31.819507 -12.056558 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=563) -1 -15.273434 31.220437 -12.404242 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=563) -1 -14.792037 32.639454 -12.517302 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=564) -1 17.359680 4.225276 12.008888 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=564) -1 18.206264 4.712025 12.102455 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=564) -1 17.707013 3.303555 11.979912 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=565) -1 -10.191618 26.154707 -14.117378 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=565) -1 -10.246336 27.140446 -14.024222 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=565) -1 -9.365713 25.997704 -13.604246 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=566) -1 -16.154887 0.795757 -14.836845 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=566) -1 -16.345879 0.964847 -15.792432 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=566) -1 -17.056269 1.013670 -14.475090 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=567) -1 -8.843354 1.257062 -14.390458 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=567) -1 -9.721797 1.490147 -14.760978 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=567) -1 -8.878915 0.273719 -14.529064 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=568) -1 15.007706 20.685581 -1.480983 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=568) -1 15.820140 20.705974 -2.039948 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=568) -1 14.497621 19.999479 -1.963453 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=569) -1 26.792629 -8.636135 -18.965010 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=569) -1 26.288696 -7.800293 -18.859656 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=569) -1 26.464046 -9.133428 -18.187628 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=570) -1 8.251240 -5.547828 -12.573784 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=570) -1 7.616788 -6.284571 -12.377827 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=570) -1 8.741169 -5.554430 -11.714242 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=571) -1 -22.237912 -5.058268 6.764512 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=571) -1 -22.745829 -5.885575 6.853894 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=571) -1 -21.780277 -5.062806 7.653355 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=572) -1 17.194102 -2.159333 -17.817873 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=572) -1 17.862595 -1.516377 -18.146157 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=572) -1 17.742147 -2.960974 -17.729894 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=573) -1 -27.916654 20.120845 1.540888 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=573) -1 -28.481124 20.910114 1.692485 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=573) -1 -27.296972 20.203832 2.295317 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=574) -1 16.709875 -14.874139 10.227907 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=574) -1 16.738552 -15.255597 9.322987 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=574) -1 17.666948 -14.744102 10.386366 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=575) -1 27.280379 13.894990 -3.025439 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=575) -1 26.548259 13.919677 -3.679302 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=575) -1 28.035475 13.712519 -3.631407 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=576) -1 -19.482907 24.144982 -15.198179 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=576) -1 -18.648754 23.617327 -15.120447 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=576) -1 -20.009558 23.712703 -14.497502 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=577) -1 -19.969999 26.628455 -2.470130 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=577) -1 -19.658629 26.329725 -3.365478 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=577) -1 -20.174218 27.574898 -2.716157 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=578) -1 -25.302351 -5.542858 -11.567981 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=578) -1 -24.450885 -5.885712 -11.913990 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=578) -1 -25.671283 -6.377657 -11.184029 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=579) -1 -23.805768 -3.468525 -13.537554 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=579) -1 -24.680854 -3.215460 -13.156281 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=579) -1 -23.642110 -4.294520 -13.032170 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=580) -1 -16.669118 11.035980 4.347849 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=580) -1 -15.992366 11.149657 5.057739 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=580) -1 -16.187667 11.476771 3.607116 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=581) -1 3.827378 -14.560528 5.245829 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=581) -1 4.447810 -14.872637 5.959315 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=581) -1 4.437661 -13.935835 4.788201 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=582) -1 -13.910657 30.994257 -9.522537 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=582) -1 -14.129440 31.501553 -10.332464 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=582) -1 -13.721087 31.720934 -8.895002 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=583) -1 18.614510 18.564654 -7.431938 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=583) -1 17.665446 18.289366 -7.449393 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=583) -1 19.033561 17.667482 -7.384439 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=584) -1 4.686382 -9.833931 -0.841217 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=584) -1 5.382294 -9.755872 -0.140989 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=584) -1 4.813059 -8.957505 -1.280348 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=585) -1 -16.715971 11.077581 0.152503 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=585) -1 -15.768070 10.924746 0.400278 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=585) -1 -17.137277 10.415615 0.753696 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=586) -1 6.092481 -7.558229 3.064883 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=586) -1 6.116358 -7.125379 3.940366 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=586) -1 6.353991 -6.798350 2.490893 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=587) -1 -8.211673 -19.887632 7.299433 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=587) -1 -7.980471 -18.907035 7.279621 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=587) -1 -7.589834 -20.138241 8.031211 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=588) -1 -12.859791 28.638441 -10.266423 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=588) -1 -12.455568 28.297363 -9.438772 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=588) -1 -13.219559 29.497277 -9.925314 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=589) -1 10.658576 6.944246 -17.459155 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=589) -1 11.336747 6.657914 -18.112725 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=589) -1 11.233396 7.495898 -16.872369 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=590) -1 26.436044 10.191563 -2.436709 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=590) -1 26.929203 10.847451 -1.876505 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=590) -1 25.687988 10.781132 -2.714325 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=591) -1 7.768006 3.743331 -14.418746 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=591) -1 7.835134 2.806474 -14.710262 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=591) -1 8.192070 4.188458 -15.185947 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=592) -1 -10.382965 -12.194415 17.643420 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=592) -1 -9.936991 -11.598069 18.284363 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=592) -1 -10.915385 -11.522589 17.146862 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=593) -1 32.382923 5.106453 -3.330190 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=593) -1 31.489326 5.333442 -3.696840 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=593) -1 32.934440 5.259830 -4.110478 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=594) -1 29.468291 0.289258 -7.750578 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=594) -1 30.064270 -0.278628 -8.255251 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=594) -1 28.593166 -0.077956 -8.003475 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=595) -1 27.091016 12.697311 13.989711 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=595) -1 26.352974 12.146706 14.348008 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=595) -1 27.851629 12.118306 14.248578 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=596) -1 -23.282422 4.517743 -11.605105 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=596) -1 -23.969594 4.564204 -10.902683 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=596) -1 -22.927426 3.615567 -11.430772 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=597) -1 27.476293 10.430160 -8.779386 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=597) -1 28.304216 10.340913 -9.308792 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=597) -1 26.815745 10.422387 -9.504970 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=598) -1 -8.881908 11.986926 2.266981 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=598) -1 -9.048871 11.020347 2.177210 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=598) -1 -9.577259 12.191377 2.952185 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=599) -1 18.931764 13.696100 13.601585 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=599) -1 18.089730 13.776984 14.089691 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=599) -1 19.371535 14.537996 13.853418 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=600) -1 7.080518 -9.484144 9.675490 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=600) -1 7.865492 -9.130972 10.119439 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=600) -1 7.256068 -9.201472 8.746651 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=601) -1 6.658360 -14.084376 9.346641 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=601) -1 7.595076 -14.082621 9.038968 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=601) -1 6.785693 -13.858526 10.290139 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=602) -1 -7.196806 -14.693100 19.600160 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=602) -1 -7.393008 -15.255263 18.821415 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=602) -1 -8.049612 -14.773097 20.086243 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=603) -1 1.623517 -13.515458 1.164489 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=603) -1 1.146488 -14.306064 1.506942 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=603) -1 2.008446 -13.176000 2.001177 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=604) -1 -8.803407 -15.825290 -3.913869 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=604) -1 -9.193886 -16.223890 -4.729043 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=604) -1 -8.912133 -14.864867 -4.163060 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=605) -1 -7.603791 13.159351 6.170482 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=605) -1 -8.399302 13.732102 6.114253 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=605) -1 -7.298466 13.211628 5.235263 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=606) -1 11.306725 -10.442001 -6.114420 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=606) -1 11.217995 -10.208636 -5.166978 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=606) -1 11.019665 -11.392821 -6.066863 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=607) -1 -12.104382 7.284565 -9.914350 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=607) -1 -12.584617 7.608285 -9.117805 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=607) -1 -11.688456 6.475583 -9.526336 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=608) -1 -26.657904 20.996773 -0.717643 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=608) -1 -27.084578 20.517417 0.032804 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=608) -1 -27.377358 21.645279 -0.912289 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=609) -1 13.566278 19.412289 3.216553 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=609) -1 13.617255 20.262327 3.721620 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=609) -1 13.996562 19.709507 2.377657 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=610) -1 -2.011947 -14.499800 6.876938 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=610) -1 -2.760121 -13.929430 6.608175 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=610) -1 -1.614395 -14.710486 6.011709 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=611) -1 -3.265605 13.348846 5.592168 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=611) -1 -2.525347 13.261469 6.231441 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=611) -1 -2.761890 13.435363 4.754135 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=612) -1 -16.600951 27.555117 -8.481992 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=612) -1 -17.472910 27.524050 -8.024724 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=612) -1 -16.294369 28.443359 -8.182573 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=613) -1 25.429946 11.996237 6.163627 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=613) -1 25.706811 11.151938 5.712142 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=613) -1 25.774123 12.642460 5.529186 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=614) -1 12.825775 17.988837 6.767106 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=614) -1 13.805583 17.966486 6.853732 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=614) -1 12.627604 18.851736 7.160756 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=615) -1 -19.961062 14.021460 -8.295463 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=615) -1 -20.442430 13.211658 -8.604546 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=615) -1 -20.338958 14.078248 -7.386165 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=616) -1 -13.639468 11.838227 -3.069156 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=616) -1 -12.974087 11.116904 -3.117784 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=616) -1 -13.630054 12.016380 -2.098712 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=617) -1 31.533151 4.016368 11.016160 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=617) -1 31.386301 4.783198 10.406892 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=617) -1 31.861724 3.358340 10.361239 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=618) -1 -15.754068 -19.621310 -14.059091 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=618) -1 -15.034709 -20.263208 -13.920942 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=618) -1 -16.189269 -19.655727 -13.175703 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=619) -1 -9.259437 4.756439 11.486043 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=619) -1 -9.380805 5.707061 11.750309 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=619) -1 -8.757652 4.440370 12.269457 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=620) -1 -17.217097 22.642202 -14.947130 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=620) -1 -16.775774 23.110747 -15.695069 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=620) -1 -16.478829 22.045524 -14.677304 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=621) -1 -18.587495 -7.603569 -11.443873 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=621) -1 -17.671675 -7.715247 -11.818528 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=621) -1 -18.686503 -6.631980 -11.606101 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=622) -1 -19.012698 22.307247 -12.873605 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=622) -1 -18.432894 21.905709 -12.185934 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=622) -1 -18.386082 22.310800 -13.631060 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=623) -1 12.089395 -18.356528 -7.983544 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=623) -1 12.716766 -18.860458 -8.561442 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=623) -1 12.660652 -17.555070 -7.829243 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=624) -1 -13.249510 16.191494 8.075890 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=624) -1 -14.082581 16.183111 7.542859 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=624) -1 -13.434996 16.983920 8.634491 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=625) -1 31.447575 7.338646 14.954034 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=625) -1 32.345383 7.244572 14.549792 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=625) -1 31.280526 6.386858 15.163726 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=626) -1 8.820966 -8.738309 4.806230 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=626) -1 9.794892 -8.834115 4.950638 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=626) -1 8.831461 -7.839830 4.378501 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=627) -1 10.602373 14.571761 11.837460 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=627) -1 10.655549 14.330036 10.891180 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=627) -1 10.484225 13.685648 12.242853 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=628) -1 11.490106 -8.768929 5.235884 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=628) -1 11.775013 -9.074836 4.346833 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=628) -1 11.968547 -9.420007 5.799827 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=629) -1 -3.848450 6.388995 8.750222 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=629) -1 -3.050661 6.347250 9.299785 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=629) -1 -4.203383 7.271859 9.015885 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=630) -1 23.772545 -13.332189 -4.722477 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=630) -1 24.172559 -13.103128 -5.607543 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=630) -1 23.282558 -14.149420 -5.010024 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=631) -1 4.686806 4.628110 8.794074 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=631) -1 3.896693 4.160747 8.473891 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=631) -1 5.054167 4.975338 7.954225 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=632) -1 -10.957038 9.344806 -6.223173 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=632) -1 -10.036611 9.657054 -6.405301 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=632) -1 -10.831239 8.384478 -6.439982 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=633) -1 -19.049165 24.043023 -9.105031 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=633) -1 -18.773958 24.256687 -10.013312 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=633) -1 -19.227666 23.080870 -9.192138 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=634) -1 27.841780 -5.202982 10.913157 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=634) -1 28.624607 -4.948073 11.469670 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=634) -1 27.861347 -4.452398 10.278698 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=635) -1 -20.142395 23.631758 4.946086 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=635) -1 -20.165597 23.421257 5.918896 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=635) -1 -20.155730 24.603757 4.993465 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=636) -1 16.903866 -18.737909 -1.808172 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=636) -1 16.799479 -18.487112 -2.767486 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=636) -1 17.884814 -18.855652 -1.799458 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=637) -1 -20.413110 -13.587964 -13.964565 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=637) -1 -20.153455 -14.496391 -14.272269 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=637) -1 -19.542445 -13.135596 -14.149105 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=638) -1 -24.739658 -18.573055 1.383434 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=638) -1 -24.310223 -19.301984 0.883046 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=638) -1 -24.112764 -18.491001 2.132599 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=639) -1 32.715630 -6.412857 -4.217274 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=639) -1 32.819779 -6.449339 -5.178609 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=639) -1 31.931923 -7.012061 -4.104882 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=640) -1 -20.601503 3.636235 10.462251 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=640) -1 -21.480923 3.242119 10.721297 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=640) -1 -20.590356 3.352387 9.518191 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=641) -1 -16.006714 24.122191 -2.139871 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=641) -1 -16.706592 24.681451 -1.735562 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=641) -1 -15.782403 23.538430 -1.404155 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=642) -1 -24.045295 -23.041113 0.835592 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=642) -1 -23.631872 -23.446519 0.033040 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=642) -1 -23.761621 -23.668774 1.515825 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=643) -1 23.608624 11.459726 -13.209826 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=643) -1 23.599153 10.524947 -12.915156 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=643) -1 23.899697 11.898750 -12.380937 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=644) -1 -20.085835 8.457054 -6.891207 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=644) -1 -20.429827 9.011426 -6.149628 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=644) -1 -20.218265 7.563823 -6.487065 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=645) -1 -19.501155 21.297312 -9.512598 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=645) -1 -18.608977 21.284989 -9.954222 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=645) -1 -19.708034 20.324447 -9.635231 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=646) -1 -18.263967 -6.903797 13.477954 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=646) -1 -17.772321 -7.647012 13.084892 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=646) -1 -17.621679 -6.167633 13.340313 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=647) -1 -15.544015 30.726111 0.367599 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=647) -1 -14.828430 30.065446 0.516350 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=647) -1 -16.122591 30.497218 1.137450 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=648) -1 16.005000 15.268186 -3.160106 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=648) -1 16.206559 16.141241 -2.748326 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=648) -1 16.734400 14.734760 -2.777282 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=649) -1 -18.016729 9.186453 1.531519 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=649) -1 -18.269340 9.205604 2.485733 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=649) -1 -18.912594 9.132768 1.128553 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=650) -1 -18.546769 29.468202 -14.531577 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=650) -1 -18.748290 28.507280 -14.605471 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=650) -1 -19.169919 29.838620 -15.168590 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=651) -1 18.901308 1.951340 11.980993 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=651) -1 19.297221 1.940505 12.892214 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=651) -1 18.958605 0.996796 11.772939 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=652) -1 -1.681558 -17.753926 6.209202 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=652) -1 -2.133256 -18.597871 6.349992 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=652) -1 -1.569076 -17.440155 7.130827 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=653) -1 14.088141 -16.248104 4.561514 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=653) -1 13.998220 -15.279443 4.775816 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=653) -1 13.713574 -16.219611 3.644097 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=654) -1 11.537647 3.244231 8.724891 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=654) -1 12.052126 2.836693 9.454949 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=654) -1 11.495305 2.481782 8.104446 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=655) -1 22.341074 -10.575636 -3.258222 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=655) -1 21.803181 -10.921533 -4.017601 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=655) -1 22.503692 -9.666280 -3.603030 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=656) -1 -9.547557 28.113440 -8.192397 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=656) -1 -10.500086 27.927999 -8.082447 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=656) -1 -9.406992 27.779800 -9.105075 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=657) -1 18.167771 13.827402 -2.050883 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=657) -1 17.808685 13.032396 -2.515116 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=657) -1 18.738713 13.380737 -1.387535 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=658) -1 -25.496804 -17.718909 -8.254098 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=658) -1 -25.412053 -17.002709 -8.940462 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=658) -1 -24.636871 -17.608062 -7.803436 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=659) -1 1.012828 11.044462 7.288453 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=659) -1 1.796540 11.484361 7.659534 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=659) -1 1.284959 10.095147 7.413502 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=660) -1 -13.172175 11.622188 -11.988114 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=660) -1 -13.721536 10.898471 -12.399174 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=660) -1 -12.826412 11.102050 -11.215097 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=661) -1 30.886512 -0.062391 17.077919 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=661) -1 31.336404 -0.599496 16.385336 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=661) -1 30.148141 -0.672559 17.295499 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=662) -1 24.232595 -11.800642 -15.620075 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=662) -1 24.627243 -12.581170 -15.181246 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=662) -1 23.394861 -11.720616 -15.104310 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=663) -1 -12.457202 14.021143 -8.142291 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=663) -1 -13.443787 13.954677 -8.193235 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=663) -1 -12.258266 13.065947 -7.954789 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=664) -1 29.915928 5.508981 -4.234508 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=664) -1 29.669827 4.594805 -3.980437 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=664) -1 29.301243 5.652676 -4.987574 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=665) -1 -8.470097 -20.668497 2.302411 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=665) -1 -8.025167 -20.685851 3.192889 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=665) -1 -9.116062 -21.402517 2.458262 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=666) -1 25.895908 -6.080321 12.531327 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=666) -1 26.334081 -5.763682 13.338456 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=666) -1 26.585463 -5.831701 11.859566 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=667) -1 10.799677 -16.338875 -9.389363 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=667) -1 11.158864 -15.746158 -8.686806 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=667) -1 11.105337 -17.204779 -9.046747 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=668) -1 -25.242205 12.192152 4.587494 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=668) -1 -24.763824 11.523959 5.145767 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=668) -1 -25.970820 11.635049 4.261805 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=669) -1 -13.555549 3.863161 -9.873351 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=669) -1 -13.788606 3.005196 -10.276374 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=669) -1 -14.242270 4.436946 -10.287207 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=670) -1 12.650172 14.669640 0.777872 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=670) -1 13.493330 14.288816 1.074646 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=670) -1 12.283973 14.995338 1.630604 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=671) -1 13.966978 -16.310201 -2.848272 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=671) -1 14.092657 -16.969712 -3.572871 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=671) -1 12.980466 -16.276432 -2.847351 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=672) -1 -6.048867 -19.852653 -2.183354 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=672) -1 -6.287085 -19.595411 -1.271622 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=672) -1 -6.167564 -19.003808 -2.653750 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=673) -1 -15.027851 -23.053006 0.753739 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=673) -1 -14.046282 -22.987434 0.875083 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=673) -1 -15.299843 -22.530037 1.557274 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=674) -1 -12.968268 26.098342 -14.320073 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=674) -1 -11.986960 26.126876 -14.265574 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=674) -1 -13.078532 25.494199 -15.087493 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=675) -1 0.241102 -12.101817 -5.272852 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=675) -1 0.813566 -12.900291 -5.196776 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=675) -1 -0.635713 -12.528218 -5.093016 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=676) -1 -11.757029 13.680547 -3.748125 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=676) -1 -12.299236 14.477190 -3.915072 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=676) -1 -12.456913 13.016673 -3.581883 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=677) -1 10.915339 -18.071437 2.940752 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=677) -1 10.346376 -17.825945 2.176806 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=677) -1 11.691370 -18.430323 2.469189 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=678) -1 -16.358865 26.658342 -15.669075 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=678) -1 -15.812298 27.271593 -15.135190 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=678) -1 -17.254358 26.897229 -15.361580 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=679) -1 -7.873798 4.606298 18.339327 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=679) -1 -8.482032 5.349023 18.135209 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=679) -1 -8.518381 3.855780 18.289522 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=680) -1 -15.314704 16.334545 -4.143605 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=680) -1 -15.498117 15.660983 -4.841928 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=680) -1 -14.349534 16.206787 -4.044408 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=681) -1 -11.246539 16.655870 15.799876 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=681) -1 -10.293663 16.579815 16.032390 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=681) -1 -11.605489 15.888496 16.289031 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=682) -1 20.953591 15.299379 -9.352416 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=682) -1 20.499158 15.713798 -8.584343 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=682) -1 20.224223 14.794779 -9.747002 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=683) -1 -8.430206 -13.074736 -13.559618 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=683) -1 -9.099200 -12.387033 -13.741597 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=683) -1 -8.949264 -13.692427 -13.001961 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=684) -1 11.357529 -9.429692 -8.571863 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=684) -1 11.657378 -10.244362 -9.005284 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=684) -1 11.322767 -9.746177 -7.628252 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=685) -1 -22.131654 13.409069 10.476075 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=685) -1 -21.926604 13.695129 9.559488 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=685) -1 -22.684994 12.615226 10.278571 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=686) -1 -22.845792 0.472923 -12.906391 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=686) -1 -23.349540 -0.027663 -12.210421 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=686) -1 -22.494130 1.197269 -12.331671 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=687) -1 19.052192 19.053078 -4.779468 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=687) -1 18.707028 19.006690 -5.701320 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=687) -1 19.421785 18.132423 -4.716035 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=688) -1 -5.253563 12.085020 7.030440 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=688) -1 -4.721583 12.735174 6.516940 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=688) -1 -6.156731 12.446283 6.857254 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=689) -1 19.637764 -17.706500 -4.169698 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=689) -1 19.682186 -18.296056 -3.389164 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=689) -1 20.079116 -16.907375 -3.802430 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=690) -1 -29.655540 -23.706336 -7.828226 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=690) -1 -29.266184 -23.583712 -8.702570 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=690) -1 -29.961701 -22.796721 -7.621651 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=691) -1 10.051951 -1.085874 10.768786 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=691) -1 9.968835 -1.972272 11.154657 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=691) -1 9.364607 -1.149671 10.052244 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=692) -1 10.599413 12.125574 13.082996 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=692) -1 10.419183 11.478041 13.812010 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=692) -1 10.740320 11.473490 12.347467 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=693) -1 21.139314 -7.835449 -15.086607 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=693) -1 21.673816 -7.339782 -14.414375 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=693) -1 21.036659 -8.685176 -14.572422 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=694) -1 32.006436 6.794875 -1.240443 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=694) -1 32.207408 6.168854 -1.969760 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=694) -1 32.253949 6.231408 -0.466541 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=695) -1 18.180314 -12.021836 10.818215 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=695) -1 18.657395 -12.859085 10.615110 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=695) -1 18.706509 -11.396792 10.275856 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=696) -1 -5.105037 8.642281 9.542029 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=696) -1 -5.681960 8.592536 8.740058 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=696) -1 -5.782879 8.452467 10.232641 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=697) -1 -3.179376 7.538076 -6.933515 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=697) -1 -2.271813 7.184580 -7.127001 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=697) -1 -3.710095 6.816668 -7.349997 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=698) -1 -19.150758 24.107898 -6.390051 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=698) -1 -19.577056 23.215602 -6.388305 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=698) -1 -18.992099 24.194764 -7.360025 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=699) -1 18.672651 -7.370503 -16.219060 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=699) -1 18.330513 -8.293060 -16.163873 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=699) -1 19.588952 -7.523209 -15.881591 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=700) -1 34.242216 10.451147 -1.811153 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=700) -1 35.147624 10.170088 -1.627778 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=700) -1 33.744483 9.922952 -1.143931 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=701) -1 -30.154269 -18.954852 -0.112940 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=701) -1 -29.445459 -19.560093 -0.438125 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=701) -1 -29.881252 -18.833202 0.805386 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=703) -1 -1.940164 0.863874 -11.121494 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=703) -1 -1.068134 1.314305 -11.278050 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=703) -1 -1.619619 -0.072864 -11.126619 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=704) -1 9.899620 12.849334 -13.313545 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=704) -1 9.892461 13.538068 -12.613611 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=704) -1 8.958781 12.665480 -13.412185 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=705) -1 15.449066 -17.490813 -6.630848 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=705) -1 14.802129 -16.927930 -7.128030 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=705) -1 14.817468 -17.884520 -5.975350 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=706) -1 -14.247748 14.142330 4.846924 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=706) -1 -14.491845 13.772399 3.962337 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=706) -1 -14.443996 13.334215 5.392391 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=707) -1 -11.785709 15.289887 -10.422793 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=707) -1 -11.946248 14.822514 -9.563242 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=707) -1 -11.120884 15.949422 -10.112773 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=708) -1 7.368375 -13.933650 4.395042 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=708) -1 7.446705 -14.691253 5.018638 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=708) -1 8.319202 -13.798344 4.186630 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=709) -1 18.136205 12.359704 11.357492 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=709) -1 18.396187 12.937834 12.114039 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=709) -1 18.466483 12.933080 10.614362 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=710) -1 -31.733518 -19.759864 -3.678654 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=710) -1 -32.211798 -20.476966 -4.134455 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=710) -1 -31.207674 -19.397383 -4.429638 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=711) -1 -7.870408 26.920101 -6.478709 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=711) -1 -7.395252 27.635754 -6.027579 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=711) -1 -8.517230 27.449129 -7.011882 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=712) -1 9.183655 -3.619946 3.037139 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=712) -1 9.450049 -2.694563 3.262534 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=712) -1 8.344707 -3.438700 2.566443 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=713) -1 0.145704 8.481055 -4.440922 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=713) -1 0.755399 8.465902 -3.660195 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=713) -1 0.479930 7.664496 -4.895777 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=715) -1 36.841405 -2.500819 4.835143 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=715) -1 36.334821 -2.568780 5.676136 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=715) -1 36.580064 -1.588387 4.564719 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=716) -1 16.646770 -5.743619 -15.432946 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=716) -1 17.273369 -6.436346 -15.765556 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=716) -1 16.611841 -6.029341 -14.483639 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=717) -1 -28.998482 22.651751 1.660994 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=717) -1 -29.459409 23.288185 2.226076 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=717) -1 -28.058013 22.911769 1.827588 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=718) -1 29.521621 2.901824 -3.369030 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=718) -1 28.584512 2.844785 -3.071871 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=718) -1 29.417856 2.555015 -4.291981 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=719) -1 -25.050752 -5.868700 -4.015606 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=719) -1 -24.664045 -5.883599 -4.928193 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=719) -1 -24.348067 -5.304441 -3.587479 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=720) -1 -7.084542 7.630122 11.186425 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=720) -1 -8.009658 7.481667 11.516708 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=720) -1 -6.886141 6.726694 10.862217 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=721) -1 31.410657 8.354590 8.038640 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=721) -1 31.492746 7.548821 8.584320 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=721) -1 32.193601 8.253302 7.451378 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=722) -1 29.428113 6.962364 11.488139 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=722) -1 29.586274 7.743703 12.053108 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=722) -1 29.162726 6.311627 12.181210 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=723) -1 -28.703761 -18.826248 -13.300532 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=723) -1 -29.200384 -17.989554 -13.180833 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=723) -1 -28.079214 -18.541597 -14.012335 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=724) -1 -18.723117 16.317664 -9.094312 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=724) -1 -18.189743 16.412308 -8.271128 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=724) -1 -19.206273 15.483768 -8.872544 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=725) -1 -8.281020 12.294390 13.568961 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=725) -1 -8.977167 11.764051 14.035880 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=725) -1 -7.769483 11.538990 13.172372 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=726) -1 -19.195757 16.519144 2.052157 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=726) -1 -18.751793 16.066431 1.293740 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=726) -1 -18.497377 16.397328 2.735448 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=727) -1 -18.465099 14.010671 12.454630 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=727) -1 -19.377435 13.652357 12.586996 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=727) -1 -17.966633 13.332026 12.981171 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=728) -1 -10.669438 12.498640 4.127722 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=728) -1 -10.389017 13.272781 4.662999 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=728) -1 -11.326777 12.094734 4.728157 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=729) -1 -11.611386 8.687497 6.775124 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=729) -1 -11.573877 8.484676 5.818771 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=729) -1 -11.290536 7.828597 7.138962 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=730) -1 -12.437421 19.361927 11.104162 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=730) -1 -13.099497 18.845556 10.590742 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=730) -1 -12.550330 18.991456 11.987131 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=731) -1 -10.307160 6.809419 -6.809901 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=731) -1 -9.433923 6.949611 -7.250110 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=731) -1 -10.652547 6.079492 -7.373428 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=732) -1 -12.183454 -21.571114 4.963854 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=732) -1 -13.127614 -21.600661 5.238148 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=732) -1 -11.743465 -21.622295 5.838543 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=733) -1 -3.201757 -2.903676 20.539801 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=733) -1 -3.530925 -2.367493 21.298788 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=733) -1 -3.377231 -2.272503 19.806612 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=734) -1 2.260560 12.002311 -3.986578 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=734) -1 1.702153 12.098679 -3.174411 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=734) -1 1.571685 11.985692 -4.668701 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=735) -1 -14.663697 31.625937 -4.335130 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=735) -1 -13.911633 31.078083 -4.006405 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=735) -1 -14.957776 32.003555 -3.464610 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=736) -1 30.353688 4.155411 0.253050 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=736) -1 31.171098 4.682270 0.468561 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=736) -1 30.736344 3.600259 -0.471269 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=737) -1 -5.605196 -18.944861 13.309947 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=737) -1 -5.340638 -18.084055 12.890561 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=737) -1 -6.299815 -19.212203 12.662548 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=738) -1 7.602635 -8.458107 7.207821 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=738) -1 6.886446 -7.993403 6.706975 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=738) -1 8.151951 -8.743234 6.433177 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=739) -1 -24.293968 10.245600 6.247698 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=739) -1 -24.352913 9.316866 5.900078 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=739) -1 -23.486620 10.131253 6.811357 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=740) -1 -10.375349 26.478680 -0.265609 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=740) -1 -9.500428 26.681061 0.144344 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=740) -1 -10.061176 25.920875 -1.020438 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=741) -1 -0.948595 -17.460695 -6.596424 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=741) -1 -0.564267 -18.235902 -7.029822 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=741) -1 -1.886238 -17.527773 -6.894190 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=742) -1 7.969872 1.870078 13.012545 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=742) -1 7.105503 1.461363 12.854511 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=742) -1 7.792928 2.789100 12.685898 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=743) -1 28.999734 10.867473 14.426615 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=743) -1 29.872452 10.928722 14.842443 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=743) -1 28.940433 9.888016 14.289546 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=744) -1 -9.616607 2.684960 17.778739 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=744) -1 -9.920552 3.033474 16.914816 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=744) -1 -9.561643 1.725025 17.571729 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=745) -1 1.076839 -5.490692 -7.731690 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=745) -1 1.146335 -4.726324 -7.100071 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=745) -1 2.037778 -5.545839 -7.987380 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=746) -1 19.674079 -14.548161 7.056066 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=746) -1 19.674525 -14.483651 6.067031 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=746) -1 20.625473 -14.296128 7.206883 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=747) -1 33.549070 -0.784800 5.462695 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=747) -1 34.264035 -0.548925 4.825324 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=747) -1 33.597448 0.003914 6.052584 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=748) -1 -20.326092 21.728683 -6.869563 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=748) -1 -21.264471 22.010666 -6.975575 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=748) -1 -20.119925 21.465753 -7.789648 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=749) -1 -10.994681 23.600913 -14.423726 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=749) -1 -10.246224 23.118018 -14.012577 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=749) -1 -10.628344 24.514261 -14.421692 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=750) -1 -9.720612 -2.556746 22.948983 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=750) -1 -9.306664 -1.686414 22.784876 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=750) -1 -10.569248 -2.302860 23.329030 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=751) -1 -29.158594 -12.419570 -8.198380 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=751) -1 -28.653571 -11.568552 -8.230712 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=751) -1 -28.981547 -12.740611 -9.110507 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=752) -1 -27.448069 -6.294549 -5.490354 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=752) -1 -26.684536 -6.333737 -4.874412 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=752) -1 -27.206108 -5.473266 -5.989306 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=753) -1 11.945864 1.844230 14.347038 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=753) -1 11.497694 1.535585 13.517361 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=753) -1 11.139831 2.116153 14.851445 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=754) -1 -1.517975 -2.141313 14.011583 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=754) -1 -1.811155 -1.921129 14.933717 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=754) -1 -0.849847 -2.839367 14.233045 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=755) -1 28.685956 5.545901 -11.422288 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=755) -1 28.128888 6.311667 -11.173393 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=755) -1 28.226470 5.258845 -12.245275 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=756) -1 -0.697829 12.874341 0.747683 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=756) -1 -0.298287 13.463339 0.085424 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=756) -1 0.002412 12.177649 0.803553 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=757) -1 28.069129 -7.519624 -2.949518 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=757) -1 28.312904 -8.208368 -2.284829 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=757) -1 27.495955 -8.075904 -3.535606 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=758) -1 -11.325047 -22.517590 -6.971346 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=758) -1 -11.350110 -23.377825 -6.487676 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=758) -1 -12.050055 -22.641023 -7.599347 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=759) -1 -8.714659 -10.478862 19.229642 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=759) -1 -7.999334 -11.159224 19.167823 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=759) -1 -8.284435 -9.873702 19.886367 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=760) -1 3.100980 0.678583 -12.874790 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=760) -1 2.543441 0.165492 -12.250472 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=760) -1 2.982914 1.581069 -12.504854 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=761) -1 14.075420 21.591323 4.731488 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=761) -1 14.689777 22.270086 4.383802 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=761) -1 14.655585 21.169036 5.403737 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=762) -1 22.063579 -13.275446 -2.567874 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=762) -1 22.729288 -13.378643 -3.291522 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=762) -1 22.031778 -12.295452 -2.524407 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=763) -1 -17.267605 16.010358 3.964965 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=763) -1 -17.608735 16.353788 4.823967 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=763) -1 -17.239013 15.043600 4.203014 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=764) -1 9.705201 -16.989742 0.706725 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=764) -1 10.049525 -16.130986 1.063963 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=764) -1 8.849901 -16.648991 0.334421 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=765) -1 -6.773609 6.818431 16.185115 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=765) -1 -6.038393 6.892240 16.845690 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=765) -1 -6.575496 5.912214 15.846409 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=766) -1 -14.690986 28.089543 -13.970156 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=766) -1 -14.090554 27.308568 -14.118087 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=766) -1 -14.008398 28.725331 -13.641228 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=767) -1 13.745416 5.298148 -21.424809 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=767) -1 13.538449 5.936377 -20.715181 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=767) -1 13.214484 4.527358 -21.123944 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=768) -1 -7.542561 9.218834 15.305864 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=768) -1 -8.511871 9.048906 15.382837 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=768) -1 -7.209564 8.329687 15.589114 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=769) -1 -8.849785 19.193547 -5.113060 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=769) -1 -9.166323 18.716421 -5.910589 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=769) -1 -9.312218 18.667448 -4.417023 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=770) -1 -12.548742 -18.635426 8.027538 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=770) -1 -13.280704 -18.983276 7.470967 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=770) -1 -13.089285 -18.151483 8.701427 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=771) -1 -4.740202 -6.857502 -10.398551 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=771) -1 -3.995715 -6.816613 -9.737399 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=771) -1 -4.847615 -5.884693 -10.542779 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=772) -1 11.020614 7.003600 -11.845752 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=772) -1 11.100868 7.842008 -12.361336 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=772) -1 11.835708 7.077274 -11.300217 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=773) -1 -27.075263 23.742281 -2.645175 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=773) -1 -26.635887 24.092023 -1.829621 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=773) -1 -27.887744 23.369526 -2.228141 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=774) -1 -14.813220 11.863230 6.127238 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=774) -1 -13.906560 11.520412 5.903153 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=774) -1 -15.042972 11.196503 6.826499 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=775) -1 15.197336 5.700733 12.735287 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=775) -1 14.639638 4.967228 13.071803 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=775) -1 15.975051 5.180046 12.413948 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=776) -1 -26.486215 4.158907 3.730128 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=776) -1 -25.898527 3.637829 4.326448 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=776) -1 -26.744253 3.447844 3.100577 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=777) -1 -26.303621 22.414503 -4.849129 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=777) -1 -26.613077 23.057089 -4.153562 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=777) -1 -26.707144 21.594824 -4.454822 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=778) -1 9.469240 4.879515 -16.231681 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=778) -1 9.715071 5.722673 -16.700689 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=778) -1 9.986915 4.253535 -16.801134 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=779) -1 9.272750 -16.142095 -6.891159 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=779) -1 10.156484 -15.687506 -6.996336 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=779) -1 9.099591 -16.347789 -7.830799 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=780) -1 35.931029 7.479159 2.301254 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=780) -1 35.778694 8.172409 2.968509 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=780) -1 35.008656 7.360710 1.968794 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=781) -1 -6.359268 -3.488488 22.052211 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=781) -1 -6.950783 -2.897832 21.535688 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=781) -1 -5.699133 -2.830616 22.366547 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=782) -1 -27.434766 20.431066 -3.403892 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=782) -1 -26.998317 20.290483 -2.541837 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=782) -1 -28.372314 20.301848 -3.150611 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=783) -1 23.562552 9.210217 -0.934349 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=783) -1 24.293485 8.694446 -0.546780 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=783) -1 23.666241 9.001785 -1.884201 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=784) -1 6.865197 5.718456 9.971050 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=784) -1 6.006668 5.310192 9.716440 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=784) -1 7.006552 5.289298 10.841845 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=785) -1 -23.750563 3.173252 -6.722946 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=785) -1 -23.121460 3.051090 -5.954468 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=785) -1 -23.742137 2.246426 -7.059828 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=786) -1 3.371160 4.425205 5.166254 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=786) -1 2.977588 4.562183 4.274400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=786) -1 4.299203 4.201371 4.893695 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=787) -1 7.979415 -15.836973 6.266502 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=787) -1 8.421524 -15.337274 6.991611 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=787) -1 8.768993 -16.274484 5.868673 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=788) -1 -13.917335 1.654761 -13.693971 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=788) -1 -14.153616 1.487682 -12.754474 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=788) -1 -14.723347 1.269762 -14.130274 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=789) -1 27.767959 -12.706008 -10.264045 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=789) -1 26.844858 -12.409403 -10.104236 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=789) -1 27.761734 -12.691328 -11.254571 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=790) -1 -12.016954 -15.995978 -10.913362 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=790) -1 -12.920080 -15.813986 -10.596674 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=790) -1 -12.229521 -16.538228 -11.717556 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=791) -1 -16.810650 -10.089433 -14.324744 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=791) -1 -15.854502 -10.128703 -14.136470 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=791) -1 -17.067529 -9.294515 -13.827833 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=792) -1 26.987014 3.320062 -2.493155 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=792) -1 26.747387 4.123042 -3.009398 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=792) -1 27.198656 3.745434 -1.627793 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=793) -1 1.628678 8.270592 -2.229413 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=793) -1 2.172748 7.436501 -2.196246 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=793) -1 1.132032 8.163561 -1.393056 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=794) -1 12.427981 8.106515 -15.797662 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=794) -1 13.087799 8.839020 -15.769812 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=794) -1 12.905085 7.431313 -15.267591 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=795) -1 7.610114 -15.478716 -0.173232 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=795) -1 7.906533 -14.565904 -0.377674 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=795) -1 6.680346 -15.436621 -0.435572 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=796) -1 37.922280 -4.417240 3.215743 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=796) -1 37.720096 -3.670408 3.822385 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=796) -1 37.511376 -5.155301 3.682482 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=797) -1 -8.939250 -15.467260 -1.221916 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=797) -1 -8.642202 -15.477547 -2.161539 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=797) -1 -8.908777 -16.443546 -1.041421 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=798) -1 28.785008 5.353029 7.612685 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=798) -1 28.898907 6.240206 7.189011 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=798) -1 27.865653 5.161433 7.353840 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=799) -1 -12.136109 5.426718 -13.707542 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=799) -1 -11.202787 5.523365 -13.455773 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=799) -1 -12.029264 4.858909 -14.518309 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=801) -1 30.921423 -6.703248 2.186799 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=801) -1 30.343143 -6.934082 1.434761 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=801) -1 30.259954 -6.600914 2.902949 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=802) -1 -7.565846 20.835471 -3.434100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=802) -1 -7.502653 20.096154 -2.772387 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=802) -1 -8.021637 20.317773 -4.156403 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=803) -1 34.934536 3.237874 5.584818 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=803) -1 35.356657 2.942467 4.741565 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=803) -1 35.075263 4.193845 5.526754 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=804) -1 -8.991550 -23.141097 5.199214 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=804) -1 -9.553270 -23.051285 4.405416 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=804) -1 -9.601897 -22.833602 5.897008 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=805) -1 3.493769 -0.220806 -3.878161 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=805) -1 4.073768 0.348825 -4.435284 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=805) -1 2.715251 0.389722 -3.808569 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=806) -1 -26.419361 -1.692741 6.395045 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=806) -1 -27.075183 -2.366190 6.631489 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=806) -1 -25.599518 -2.257796 6.376486 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=807) -1 -12.041067 5.153953 13.746543 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=807) -1 -12.554245 5.110389 12.900642 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=807) -1 -11.707183 6.091972 13.647559 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=808) -1 6.389994 -0.777457 -11.281973 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=808) -1 6.679475 -1.558163 -11.813267 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=808) -1 6.243081 -1.225793 -10.415678 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=809) -1 -15.482891 29.838334 -7.631805 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=809) -1 -14.631794 29.722328 -7.136388 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=809) -1 -15.125993 30.328872 -8.412742 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=810) -1 13.887304 -0.055108 14.760833 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=810) -1 14.493050 0.461447 15.308315 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=810) -1 13.158585 0.591060 14.624542 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=811) -1 -10.722162 -17.180355 -8.808027 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=811) -1 -11.072003 -18.084988 -9.030511 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=811) -1 -11.175667 -16.679006 -9.532456 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=812) -1 -19.371829 -21.844401 1.194518 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=812) -1 -20.102795 -21.826268 0.540334 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=812) -1 -18.617054 -22.049409 0.599656 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=813) -1 -16.453413 -4.989146 12.981211 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=813) -1 -16.553464 -4.317182 12.267210 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=813) -1 -15.745110 -5.543247 12.590700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=814) -1 -0.590830 -16.768103 -0.259887 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=814) -1 -1.201362 -17.459551 0.078504 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=814) -1 -0.247985 -16.412699 0.585956 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=815) -1 -1.843695 -15.794649 -10.998433 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=815) -1 -2.103690 -14.935628 -11.384448 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=815) -1 -1.013898 -15.513512 -10.527161 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=816) -1 11.786962 9.115012 -13.324596 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=816) -1 11.684944 8.931494 -14.288243 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=816) -1 12.658832 8.638114 -13.190137 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=817) -1 22.631485 -2.820877 -18.306250 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=817) -1 22.508601 -1.875931 -18.498179 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=817) -1 21.861733 -2.988148 -17.720427 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=818) -1 -17.250267 21.298269 -11.014032 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=818) -1 -16.905587 20.473571 -11.434245 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=818) -1 -16.398381 21.695245 -10.720086 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=819) -1 26.458301 11.708360 8.692992 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=819) -1 26.918445 10.916411 8.295003 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=819) -1 25.951500 11.974642 7.882095 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=820) -1 -26.568903 0.259571 -0.262844 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=820) -1 -26.952311 0.919184 0.336258 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=820) -1 -27.023745 0.454323 -1.100183 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=821) -1 -6.033497 0.452650 22.554678 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=821) -1 -5.845291 1.304092 22.093900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=821) -1 -7.011144 0.444918 22.509622 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=822) -1 -7.925166 7.383512 -8.054514 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=822) -1 -7.564657 6.691825 -8.645393 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=822) -1 -7.079634 7.765306 -7.710447 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=823) -1 -22.603577 3.438888 6.827429 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=823) -1 -21.836622 2.955553 7.216968 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=823) -1 -22.107182 4.216881 6.453582 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=824) -1 17.192601 20.077701 -3.030769 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=824) -1 17.911199 19.898105 -3.680926 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=824) -1 17.043566 19.168844 -2.696304 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=825) -1 11.277771 10.418733 11.149877 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=825) -1 12.200862 10.779559 11.116782 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=825) -1 11.437186 9.527218 10.781628 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=826) -1 25.098089 -5.934849 -15.050266 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=826) -1 25.259344 -5.328310 -14.287368 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=826) -1 24.989824 -5.255051 -15.762257 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=827) -1 -7.570699 25.362374 -8.724099 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=827) -1 -6.894059 24.734107 -8.339486 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=827) -1 -7.666921 25.947259 -7.930295 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=828) -1 -10.632197 13.447894 16.372941 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=828) -1 -9.664124 13.559688 16.491290 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=828) -1 -10.631120 12.590230 15.881882 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=829) -1 -16.214304 15.593611 14.865849 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=829) -1 -15.588385 16.275031 15.190941 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=829) -1 -16.728018 16.108144 14.216896 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=830) -1 -16.304590 30.170322 -13.187836 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=830) -1 -17.178078 30.018774 -13.626242 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=830) -1 -15.836115 29.359312 -13.491631 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=831) -1 -18.159490 4.593608 15.260892 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=831) -1 -18.338472 5.550912 15.272589 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=831) -1 -18.461097 4.360336 14.358289 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=832) -1 -23.834876 23.709140 2.165872 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=832) -1 -23.491019 24.213555 1.400696 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=832) -1 -23.017101 23.268960 2.476434 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=833) -1 34.965772 -2.579909 6.858400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=833) -1 34.483692 -3.438988 6.797145 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=833) -1 34.345234 -2.018113 6.329670 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=834) -1 -8.689761 -4.969039 22.022776 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=834) -1 -9.175515 -4.190064 22.381255 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=834) -1 -7.769394 -4.638390 22.111005 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=835) -1 -31.553288 -17.582659 -1.938176 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=835) -1 -31.084068 -18.046840 -1.196295 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=835) -1 -31.843194 -18.372762 -2.449446 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=836) -1 -17.297637 11.991100 13.798438 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=836) -1 -17.846300 11.219964 14.063664 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=836) -1 -16.621485 11.523160 13.242119 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=837) -1 0.943654 -0.718341 11.241905 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=837) -1 0.326052 -1.343766 10.828712 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=837) -1 0.367556 0.106376 11.215577 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=838) -1 -18.982632 -0.487758 -1.615917 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=838) -1 -18.321611 -0.793731 -0.968893 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=838) -1 -18.550127 0.326981 -1.947067 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=839) -1 19.725525 16.338364 11.300193 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=839) -1 20.205847 15.539373 10.955936 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=839) -1 18.965525 16.347488 10.700175 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=840) -1 32.843791 8.988534 -0.036239 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=840) -1 32.492620 8.249647 -0.610891 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=840) -1 33.080631 8.423698 0.751083 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=841) -1 -9.734523 12.644223 -6.378646 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=841) -1 -10.539615 12.286575 -6.824498 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=841) -1 -9.101445 11.923918 -6.611178 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=842) -1 -14.041018 28.446832 0.630215 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=842) -1 -13.723997 27.978027 1.435459 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=842) -1 -14.909676 28.014617 0.504625 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=843) -1 8.979629 5.230970 14.497642 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=843) -1 9.798725 5.680694 14.219754 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=843) -1 9.334767 4.413510 14.891391 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=844) -1 -22.931677 -12.575472 -14.380706 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=844) -1 -22.032052 -12.967312 -14.451631 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=844) -1 -22.746087 -11.838052 -13.767467 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=845) -1 6.993042 14.419314 -5.349347 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=845) -1 6.022930 14.301290 -5.216318 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=845) -1 6.974392 14.861049 -6.236017 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=846) -1 13.504004 -16.220195 -10.330982 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=846) -1 13.581099 -16.119101 -9.348050 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=846) -1 12.538262 -16.107205 -10.429230 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=847) -1 -0.913590 0.937533 15.319050 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=847) -1 -0.109558 0.431264 15.053948 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=847) -1 -1.107718 1.360801 14.435703 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=848) -1 -24.754993 6.130663 3.079980 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=848) -1 -25.525824 5.554456 3.282299 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=848) -1 -24.790991 6.758176 3.818302 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=849) -1 10.133329 -14.003877 4.331406 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=849) -1 10.267473 -14.926873 4.658970 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=849) -1 10.436714 -13.508630 5.127794 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=850) -1 -9.497129 11.502396 -3.800234 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=850) -1 -8.602616 11.809741 -3.530293 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=850) -1 -9.680390 12.131254 -4.528367 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=851) -1 -24.362915 -26.795911 -4.735532 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=851) -1 -24.052458 -26.358112 -5.568289 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=851) -1 -23.580152 -26.607414 -4.167591 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=852) -1 -21.078110 22.856767 -11.153929 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=852) -1 -20.716453 22.162591 -10.558115 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=852) -1 -20.476089 22.729900 -11.925426 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=853) -1 -30.174339 -18.795697 -5.728354 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=853) -1 -29.435470 -18.527251 -6.334781 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=853) -1 -30.164740 -17.984688 -5.147473 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=854) -1 5.705604 0.792499 -13.364828 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=854) -1 5.913574 0.217571 -12.586040 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=854) -1 4.717337 0.677694 -13.363800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=855) -1 -20.213056 23.154600 7.553931 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=855) -1 -20.732665 23.480336 8.334312 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=855) -1 -20.185001 22.197646 7.782537 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=856) -1 -17.888608 17.100992 -11.587288 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=856) -1 -17.334650 16.363610 -11.937118 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=856) -1 -18.138557 16.707577 -10.715611 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=857) -1 3.082324 -5.110666 -2.406345 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=857) -1 3.010147 -4.329203 -2.993045 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=857) -1 2.985847 -4.667384 -1.526470 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=858) -1 -5.633476 4.898820 19.775075 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=858) -1 -6.501852 4.794261 19.316938 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=858) -1 -5.232556 5.589764 19.206153 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=859) -1 7.600762 12.214802 -3.855312 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=859) -1 8.481746 12.366023 -3.427596 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=859) -1 7.484921 13.094373 -4.286295 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=860) -1 -11.670064 9.973527 -3.649714 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=860) -1 -11.617647 9.692263 -4.594651 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=860) -1 -10.861312 10.554649 -3.629500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=861) -1 -12.185350 27.269441 -7.942574 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=861) -1 -12.820766 26.605529 -8.299245 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=861) -1 -11.803978 26.739587 -7.200791 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=862) -1 -11.959385 13.291083 -13.725695 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=862) -1 -11.531365 12.660292 -14.321957 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=862) -1 -12.391356 12.670909 -13.088505 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=863) -1 32.917190 -0.481325 12.989831 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=863) -1 32.860486 0.494260 12.980614 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=863) -1 33.785713 -0.600724 12.535785 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=864) -1 -14.863753 -21.379383 5.511484 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=864) -1 -14.940285 -20.659286 6.190033 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=864) -1 -15.743552 -21.809979 5.661938 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=865) -1 1.819424 -13.198704 -1.478172 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=865) -1 1.795922 -13.353011 -0.499548 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=865) -1 1.207073 -13.917193 -1.762518 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=866) -1 -26.851872 -12.622176 -0.156383 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=866) -1 -25.960429 -12.492527 -0.566748 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=866) -1 -26.987644 -11.697037 0.173064 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=867) -1 9.459895 2.539652 15.213333 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=867) -1 8.923779 2.255912 14.438026 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=867) -1 8.898806 2.247203 15.944337 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=868) -1 -8.284967 -0.094037 12.480599 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=868) -1 -7.726546 -0.310931 11.693130 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=868) -1 -7.647330 0.461669 12.976760 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=869) -1 16.060492 20.253078 6.074491 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=869) -1 16.443346 20.048589 5.195301 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=869) -1 16.030710 19.359664 6.471152 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=870) -1 35.472628 -5.945314 0.284785 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=870) -1 34.927345 -5.827967 -0.518880 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=870) -1 34.854287 -6.452415 0.849192 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=871) -1 -13.027059 11.333262 14.583656 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=871) -1 -13.849210 11.831232 14.762019 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=871) -1 -13.394090 10.513192 14.190574 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=872) -1 -2.286831 -1.298194 16.426490 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=872) -1 -1.891716 -0.409468 16.352604 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=872) -1 -2.841230 -1.203385 17.219356 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=873) -1 -0.562860 -7.548614 -7.510768 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=873) -1 0.030742 -6.755547 -7.607771 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=873) -1 -0.137105 -8.151875 -8.139972 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=874) -1 -20.471751 9.158925 0.250503 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=874) -1 -20.838367 9.069144 1.172721 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=874) -1 -21.124381 8.626181 -0.233931 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=875) -1 -25.382686 22.113725 -7.361772 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=875) -1 -25.785224 22.273214 -6.473541 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=875) -1 -25.981349 21.440317 -7.711272 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=876) -1 13.638543 -11.102563 9.312604 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=876) -1 13.368844 -10.470456 10.000666 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=876) -1 14.369637 -11.571421 9.805877 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=877) -1 27.839327 1.237497 15.415548 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=877) -1 27.714699 0.254194 15.353660 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=877) -1 27.041304 1.514619 14.910380 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=878) -1 -17.337781 13.571229 5.059331 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=878) -1 -17.237115 12.645436 4.748527 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=878) -1 -16.970165 13.487940 5.965601 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=879) -1 -8.010315 22.607227 -1.315383 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=879) -1 -8.030330 21.838465 -0.687065 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=879) -1 -7.826563 22.102793 -2.146217 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=880) -1 -21.494237 8.943298 10.383697 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=880) -1 -21.177128 9.374501 11.215281 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=880) -1 -21.090506 8.053901 10.502621 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=881) -1 -26.605534 16.697891 -0.543662 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=881) -1 -26.517868 15.967925 -1.172096 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=881) -1 -25.813703 16.548320 0.023874 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=882) -1 24.895855 -12.038402 4.989527 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=882) -1 24.509086 -12.746290 4.413472 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=882) -1 24.653026 -12.409358 5.870488 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=883) -1 16.027116 3.890410 -21.691580 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=883) -1 16.506189 4.316092 -20.944904 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=883) -1 15.236678 4.479202 -21.735849 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=884) -1 10.729731 12.930169 -0.046386 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=884) -1 11.456976 13.576030 0.119772 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=884) -1 10.217353 13.054390 0.785439 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=885) -1 -15.334720 10.923435 12.387902 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=885) -1 -15.086330 11.145815 11.471096 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=885) -1 -14.707273 10.195393 12.578862 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=886) -1 -1.820185 -10.266512 15.054201 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=886) -1 -1.965430 -11.243909 15.084203 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=886) -1 -0.881676 -10.269710 14.733553 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=887) -1 21.720909 0.128860 15.723874 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=887) -1 21.827283 -0.662098 15.163351 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=887) -1 22.540898 0.124824 16.233468 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=888) -1 -10.932161 25.256060 2.134534 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=888) -1 -10.920106 25.723256 1.264645 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=888) -1 -10.106311 24.727135 2.032789 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=889) -1 25.714718 -13.505419 12.303203 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=889) -1 25.180965 -13.283419 11.518623 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=889) -1 25.519362 -12.739254 12.881985 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=890) -1 6.393221 3.385839 -10.010699 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=890) -1 6.128531 3.538974 -10.947834 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=890) -1 7.079075 2.691647 -10.154867 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=891) -1 -4.459564 -10.988945 15.005866 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=891) -1 -3.656323 -10.449598 14.836690 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=891) -1 -4.061946 -11.888280 14.944032 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=892) -1 -29.765137 -14.241811 -6.363767 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=892) -1 -29.667121 -14.977221 -7.014526 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=892) -1 -29.546522 -13.484622 -6.973434 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=893) -1 -6.538129 -0.232398 -13.146426 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=893) -1 -6.746582 0.549327 -13.692547 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=893) -1 -7.280878 -0.170859 -12.489097 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=894) -1 -17.999149 7.456045 14.782144 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=894) -1 -17.022401 7.362003 14.795386 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=894) -1 -18.164162 7.233362 13.831067 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=895) -1 25.259727 -10.185897 10.191042 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=895) -1 24.954177 -11.073056 10.467275 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=895) -1 25.266484 -9.722040 11.057772 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=896) -1 11.483715 6.263465 13.479805 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=896) -1 12.085111 6.813386 12.912333 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=896) -1 11.637354 6.747851 14.338917 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=897) -1 -14.078962 -15.225804 18.057276 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=897) -1 -14.058413 -16.043762 18.608178 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=897) -1 -13.305512 -14.754721 18.440885 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=898) -1 20.067484 -14.217265 4.393015 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=898) -1 19.847554 -13.279611 4.204074 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=898) -1 19.798152 -14.617641 3.524969 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=899) -1 9.331671 10.900790 3.185645 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=899) -1 9.353772 11.835918 2.905710 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=899) -1 9.963505 10.501489 2.561908 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=900) -1 -25.422669 -10.440832 -10.092933 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=900) -1 -25.527303 -11.323937 -10.524657 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=900) -1 -24.493914 -10.242277 -10.394322 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=901) -1 27.965656 5.793151 -6.144615 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=901) -1 27.703949 4.996422 -6.664961 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=901) -1 27.815683 6.486049 -6.832768 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=902) -1 -26.619150 -9.928736 0.379724 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=902) -1 -27.260906 -9.207375 0.308386 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=902) -1 -25.791229 -9.411135 0.539984 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=903) -1 34.055979 1.269019 7.170673 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=903) -1 33.518061 1.784097 7.804679 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=903) -1 34.397686 2.010154 6.605828 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=904) -1 -12.393782 19.558931 6.447357 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=904) -1 -11.502389 19.463174 6.063001 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=904) -1 -12.175422 19.844201 7.356485 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=905) -1 33.512768 -7.284139 1.766346 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=905) -1 32.587388 -7.027436 2.023114 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=905) -1 33.899855 -7.350022 2.674487 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=906) -1 -26.389320 23.024162 2.203873 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=906) -1 -25.462688 23.385182 2.291215 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=906) -1 -26.228534 22.150367 2.647479 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=907) -1 2.600528 -15.389452 10.699421 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=907) -1 2.014849 -15.501117 9.902427 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=907) -1 2.786266 -16.322582 10.895162 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=908) -1 -22.911482 13.116795 0.920419 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=908) -1 -22.202706 13.636697 0.474317 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=908) -1 -22.658692 12.215743 0.668305 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=909) -1 13.572933 -18.218249 -4.806677 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=909) -1 12.642022 -18.125571 -5.119337 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=909) -1 13.427323 -18.931904 -4.129871 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=910) -1 9.313587 -6.511328 8.109454 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=910) -1 8.622109 -7.167615 7.894665 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=910) -1 8.784265 -5.687600 8.133029 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=911) -1 -27.826095 -16.118001 -10.472805 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=911) -1 -27.797209 -17.117181 -10.552369 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=911) -1 -26.836456 -15.992379 -10.328376 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=912) -1 12.209715 7.559811 15.691989 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=912) -1 13.053621 7.063329 15.836007 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=912) -1 12.559776 8.479045 15.799057 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=913) -1 -25.972425 24.288350 -0.256493 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=913) -1 -25.075799 24.626851 -0.060135 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=913) -1 -26.198088 23.869446 0.598222 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=914) -1 -1.746439 12.753872 3.378298 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=914) -1 -2.036116 11.870599 3.033382 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=914) -1 -1.385937 13.125193 2.539282 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=915) -1 19.231921 -17.221353 -9.008962 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=915) -1 19.820245 -17.241157 -9.795390 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=915) -1 19.683930 -16.540495 -8.470202 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=916) -1 -6.283596 10.840349 -5.395355 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=916) -1 -5.480923 10.562342 -4.880461 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=916) -1 -6.624543 11.524054 -4.770637 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=917) -1 24.131124 -12.821211 10.089773 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=917) -1 24.188411 -12.748438 9.106772 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=917) -1 23.492833 -13.563779 10.159202 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=918) -1 1.483569 -0.387755 -10.941244 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=918) -1 1.824339 -0.793178 -10.123215 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=918) -1 0.663794 -0.912111 -11.075007 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=919) -1 26.733832 -9.416272 -4.383732 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=919) -1 26.085032 -10.094575 -4.076717 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=919) -1 26.579846 -9.484217 -5.358026 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=920) -1 -10.990034 26.048979 -5.750074 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=920) -1 -10.207562 25.561039 -5.400045 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=920) -1 -11.552449 25.285280 -6.013283 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=921) -1 -21.711820 22.295285 3.222968 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=921) -1 -21.202051 22.765680 3.924183 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=921) -1 -22.232216 21.676417 3.785727 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=922) -1 -4.862199 -7.926235 20.973713 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=922) -1 -3.937403 -8.226260 20.798385 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=922) -1 -4.687790 -6.967225 21.125987 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=923) -1 30.213285 2.344694 16.029523 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=923) -1 30.556548 1.544278 16.500702 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=923) -1 29.310319 1.998146 15.803359 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=924) -1 -18.721599 10.757051 -7.678941 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=924) -1 -19.588829 11.081013 -8.028300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=924) -1 -18.972726 9.819512 -7.503052 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=925) -1 12.623063 -17.270520 6.568949 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=925) -1 13.160912 -18.021056 6.863959 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=925) -1 13.184756 -16.928057 5.830623 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=926) -1 -20.565744 6.648815 -14.581628 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=926) -1 -20.034094 5.929667 -14.995774 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=926) -1 -21.463777 6.245086 -14.666192 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=927) -1 -13.559461 8.634590 -7.978088 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=927) -1 -13.524387 8.838840 -7.021532 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=927) -1 -14.404781 8.122043 -8.007547 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=929) -1 -30.026438 -24.693265 -5.341151 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=929) -1 -29.608706 -25.592699 -5.315153 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=929) -1 -29.883508 -24.491465 -6.299792 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=930) -1 23.657102 -7.824149 -16.393568 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=930) -1 22.734978 -7.839051 -16.066788 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=930) -1 24.057355 -7.181377 -15.766288 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=931) -1 -23.320890 25.144034 -0.121705 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=931) -1 -22.587576 25.773115 0.070737 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=931) -1 -23.366560 25.215076 -1.088482 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=932) -1 -15.465717 4.143521 13.077036 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=932) -1 -16.006982 3.726869 12.364039 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=932) -1 -14.700285 4.445250 12.531481 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=933) -1 -28.692116 18.401730 -0.437905 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=933) -1 -27.966680 17.730570 -0.490042 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=933) -1 -28.448648 18.833028 0.411074 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=934) -1 0.433289 -3.245423 -9.351050 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=934) -1 0.578643 -4.094742 -8.888134 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=934) -1 1.097143 -2.682489 -8.894965 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=935) -1 -9.217314 22.324110 -12.802302 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=935) -1 -8.738826 22.680133 -12.021222 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=935) -1 -10.054832 22.039332 -12.380741 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=936) -1 -25.857474 0.906252 7.149873 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=936) -1 -26.047261 1.257841 6.261389 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=936) -1 -26.066533 -0.044459 7.011458 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=937) -1 21.526295 15.061551 -1.794387 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=937) -1 20.705462 15.600310 -1.869907 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=937) -1 21.821078 15.300373 -0.903871 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=938) -1 -28.338912 -23.473801 -3.610735 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=938) -1 -28.940925 -23.982332 -4.208463 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=938) -1 -29.007450 -22.879094 -3.191415 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=939) -1 24.314978 -0.983273 -12.577259 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=939) -1 24.981981 -1.342942 -11.963940 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=939) -1 23.490243 -1.332317 -12.176554 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=940) -1 23.786287 12.100612 12.152430 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=940) -1 22.811043 12.068552 12.334344 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=940) -1 23.810805 12.976249 11.689240 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=941) -1 3.254648 -2.028755 11.931080 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=941) -1 2.470301 -1.504127 11.648555 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=941) -1 3.620944 -2.263841 11.051651 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=942) -1 -25.937938 4.675280 -6.614060 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=942) -1 -25.177077 4.043259 -6.667618 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=942) -1 -26.650222 4.031705 -6.380712 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=943) -1 23.461324 16.065040 13.168940 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=943) -1 24.354347 15.641554 13.252486 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=943) -1 23.666900 16.960283 13.474255 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=944) -1 -3.381441 4.683004 16.691859 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=944) -1 -3.740439 3.767020 16.734748 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=944) -1 -2.573849 4.496585 16.141410 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=945) -1 -9.616447 -14.855228 -11.813720 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=945) -1 -9.174429 -15.006398 -10.947216 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=945) -1 -10.513250 -15.203710 -11.597571 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=946) -1 14.520670 6.162669 15.532900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=946) -1 14.132479 5.319734 15.205721 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=946) -1 15.128671 6.366859 14.799216 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=947) -1 -4.793952 -4.081183 -10.764573 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=947) -1 -3.820223 -3.988281 -10.908548 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=947) -1 -5.027588 -3.117896 -10.715886 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=948) -1 -17.176475 1.751696 -17.173070 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=948) -1 -18.143583 1.765877 -17.058714 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=948) -1 -16.946729 2.661184 -16.874873 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=949) -1 22.333995 11.514727 -0.428031 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=949) -1 22.752273 11.707213 0.456162 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=949) -1 22.792768 10.648570 -0.604422 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=950) -1 -3.206706 -16.905772 -13.088822 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=950) -1 -2.637301 -16.694593 -12.313490 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=950) -1 -2.709312 -17.628441 -13.493590 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=951) -1 -24.053598 -5.404317 1.050965 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=951) -1 -24.082526 -4.637976 1.668296 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=951) -1 -23.177376 -5.772608 1.281289 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=952) -1 -8.461041 10.248978 -6.947948 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=952) -1 -7.652069 10.423649 -6.406931 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=952) -1 -8.133293 9.514209 -7.502629 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=953) -1 -21.153373 11.608819 -8.557004 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=953) -1 -21.329310 10.733208 -8.989951 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=953) -1 -21.853765 11.584217 -7.867214 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=954) -1 27.199133 -13.923595 -7.931427 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=954) -1 27.650169 -13.548649 -8.731728 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=954) -1 26.578012 -14.538927 -8.395176 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=955) -1 -12.254166 -19.327577 14.326097 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=955) -1 -11.998607 -20.118522 13.790010 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=955) -1 -11.921672 -18.626398 13.703042 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=956) -1 20.725419 -17.020673 -11.361705 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=956) -1 19.889794 -16.601326 -11.723026 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=956) -1 20.972120 -17.520902 -12.183177 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=957) -1 3.416689 9.816654 -0.099479 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=957) -1 4.321894 9.511673 0.132802 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=957) -1 3.515502 9.896761 -1.072287 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=958) -1 26.766425 -11.264572 -1.369064 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=958) -1 26.604763 -12.166419 -1.059428 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=958) -1 26.131222 -11.212638 -2.121750 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=959) -1 -3.735131 -17.109240 9.915794 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=959) -1 -4.199494 -16.874299 10.760368 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=959) -1 -4.544202 -17.189082 9.333056 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=960) -1 3.810750 3.825998 -9.226739 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=960) -1 4.781159 3.702195 -9.320167 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=960) -1 3.723810 3.835759 -8.253432 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=961) -1 29.225530 -10.423428 -4.115934 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=961) -1 28.307217 -10.058529 -4.203969 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=961) -1 29.160727 -11.119351 -4.819421 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=962) -1 25.591509 10.081342 -10.840208 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=962) -1 24.826766 9.630570 -11.278860 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=962) -1 25.206008 10.991075 -10.775289 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=963) -1 -10.075812 -23.163173 -3.415457 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=963) -1 -9.147769 -22.844087 -3.370753 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=963) -1 -9.994667 -23.963336 -2.832424 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=964) -1 7.629638 4.417841 12.276601 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=964) -1 8.537468 4.561577 11.877447 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=964) -1 7.806808 4.861358 13.146335 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=965) -1 -20.384666 21.485334 1.017020 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=965) -1 -20.839896 21.632824 1.877165 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=965) -1 -19.525151 21.133468 1.334148 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=966) -1 -8.176481 -9.309806 -12.910364 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=966) -1 -7.588404 -8.509501 -12.880951 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=966) -1 -7.477930 -9.985393 -12.684215 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=967) -1 -6.669309 -17.609473 -3.785279 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=967) -1 -7.150443 -18.144212 -4.475880 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=967) -1 -7.337499 -16.890431 -3.680838 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=968) -1 -14.736937 4.285132 -13.881830 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=968) -1 -14.425138 3.351151 -13.916233 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=968) -1 -13.873449 4.748778 -13.918886 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=969) -1 -25.235390 18.089954 2.819979 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=969) -1 -25.159316 17.446712 3.570271 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=969) -1 -25.239501 17.441086 2.073420 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=970) -1 -10.311542 -25.419050 -2.056227 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=970) -1 -10.722009 -25.490830 -1.164413 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=970) -1 -10.983692 -25.909253 -2.583046 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=971) -1 1.142059 -15.743787 8.517887 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=971) -1 1.338856 -15.930641 7.572562 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=971) -1 0.208628 -16.057168 8.557039 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=972) -1 -9.290018 -14.927484 13.023722 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=972) -1 -9.605451 -15.417901 13.810993 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=972) -1 -8.495931 -15.476121 12.801206 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=973) -1 -15.567241 1.724606 18.425291 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=973) -1 -15.779278 0.802261 18.148430 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=973) -1 -15.382993 1.563695 19.381159 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=974) -1 32.245799 2.087252 9.178663 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=974) -1 31.934517 1.153036 9.123578 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=974) -1 31.609535 2.490286 8.525163 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=975) -1 3.683248 9.925185 -2.900377 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=975) -1 3.264325 10.684151 -3.370209 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=975) -1 2.897021 9.339727 -2.803694 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=976) -1 -15.207455 13.102931 15.198764 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=976) -1 -15.967785 12.623050 14.788528 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=976) -1 -15.582662 14.022076 15.155288 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=977) -1 36.645228 4.830421 2.046307 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=977) -1 36.544644 5.805384 2.124521 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=977) -1 36.115012 4.675383 1.228893 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=978) -1 -18.821866 4.099742 12.565178 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=978) -1 -18.108862 3.661218 12.035617 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=978) -1 -19.588237 3.911772 11.974647 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=979) -1 -14.267170 1.349456 20.795521 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=979) -1 -13.669353 2.085192 21.043727 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=979) -1 -13.612137 0.678757 20.517064 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=980) -1 -6.756930 -2.651596 -14.304192 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=980) -1 -6.312400 -2.458267 -15.143461 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=980) -1 -6.643736 -1.786231 -13.839313 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=981) -1 -28.089471 -18.048099 -7.294156 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=981) -1 -27.185854 -17.791040 -7.595779 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=981) -1 -28.604851 -17.302894 -7.688670 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=982) -1 23.592850 14.630022 -9.153454 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=982) -1 23.722107 14.785161 -8.193023 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=982) -1 22.634145 14.856438 -9.231106 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=983) -1 35.732652 -0.135549 3.967831 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=983) -1 35.603529 -0.110829 2.983998 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=983) -1 36.025033 0.799167 4.092923 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=984) -1 -19.539926 30.076896 -5.769898 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=984) -1 -18.577585 30.307230 -5.649736 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=984) -1 -19.836909 30.867751 -6.246399 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=985) -1 -1.097737 9.830418 -2.160781 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=985) -1 -0.976492 9.426749 -3.044638 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=985) -1 -0.840300 9.074884 -1.587661 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=986) -1 -26.186985 -3.133878 -12.184168 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=986) -1 -26.730284 -2.944258 -11.394086 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=986) -1 -25.937766 -4.075315 -11.980903 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=987) -1 6.599636 -10.091609 3.959442 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=987) -1 6.242505 -9.197630 3.741623 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=987) -1 7.485686 -9.816367 4.303247 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=988) -1 7.874214 1.043432 -14.924010 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=988) -1 8.373636 0.335897 -14.447425 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=988) -1 7.006142 0.953009 -14.451491 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=989) -1 -5.762506 8.636873 -7.069805 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=989) -1 -5.780096 9.437426 -6.507648 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=989) -1 -4.818087 8.385245 -6.990871 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=990) -1 -5.780925 -13.158873 -13.928359 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=990) -1 -6.750075 -13.182651 -13.693188 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=990) -1 -5.857479 -13.020144 -14.887136 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=991) -1 17.616766 4.777326 -19.640111 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=991) -1 17.424944 5.194545 -18.759826 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=991) -1 18.367845 5.323619 -19.921853 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=992) -1 -10.292870 17.685531 -6.961134 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=992) -1 -11.173285 18.031753 -6.688438 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=992) -1 -10.395421 16.746155 -6.657233 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=993) -1 23.012845 10.711273 6.410644 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=993) -1 23.799906 11.299633 6.472934 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=993) -1 23.481119 9.864788 6.171129 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=994) -1 29.778016 -4.022364 12.373474 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=994) -1 29.560209 -3.461741 13.157439 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=994) -1 30.494070 -3.461995 11.984288 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=995) -1 13.400951 7.660429 12.101400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=995) -1 13.819331 8.450064 12.521049 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=995) -1 14.127726 7.004983 12.251888 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=996) -1 5.653925 3.427752 -12.659879 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=996) -1 5.678774 2.479538 -12.937858 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=996) -1 6.360138 3.775768 -13.257877 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=997) -1 -16.118108 15.224522 -12.522043 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=997) -1 -15.428530 14.781701 -11.960114 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=997) -1 -16.510279 14.441951 -12.945125 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=998) -1 -12.418335 10.912845 5.540949 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=998) -1 -12.153910 10.230430 6.212819 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=998) -1 -12.258929 10.358597 4.727908 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=999) -1 -23.430827 11.118464 9.901654 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=999) -1 -23.204645 10.409644 10.539447 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=999) -1 -22.980522 10.747899 9.097726 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1000) -1 -2.873416 -6.500864 -8.531086 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1000) -1 -2.075800 -6.968557 -8.194716 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1000) -1 -2.902250 -5.754509 -7.884583 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1002) -1 -19.851222 1.668303 -16.065821 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1002) -1 -20.031709 0.703882 -16.223100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1002) -1 -19.326211 1.567526 -15.219734 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1003) -1 -20.597121 -5.243406 -14.093556 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1003) -1 -20.005615 -5.317922 -13.309679 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1003) -1 -20.005226 -4.703259 -14.677362 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1004) -1 -8.639129 -15.346858 -9.279717 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1004) -1 -9.347670 -14.709242 -9.015326 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1004) -1 -9.089256 -16.187474 -9.039350 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1005) -1 10.873478 5.820109 9.042785 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1005) -1 10.071868 5.872256 8.483658 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1005) -1 11.152108 4.888607 8.845050 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1006) -1 -24.718012 -1.416943 0.704270 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1006) -1 -25.432478 -0.832026 0.336175 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1006) -1 -24.802440 -2.165449 0.063940 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1007) -1 -21.130307 8.811885 2.772103 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1007) -1 -21.524321 8.120690 3.363514 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1007) -1 -20.358360 9.064797 3.328554 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1008) -1 13.050406 -15.777768 2.106894 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1008) -1 13.567873 -15.100812 1.617872 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1008) -1 12.139865 -15.425497 1.967339 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1009) -1 -0.749801 -7.188224 18.624816 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1009) -1 -1.331813 -6.411595 18.833169 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1009) -1 -1.324009 -7.625737 17.947894 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1010) -1 -18.769261 -7.521421 16.030283 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1010) -1 -18.586806 -7.227684 15.099659 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1010) -1 -18.233404 -8.353872 16.020159 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1011) -1 -25.940486 -20.278572 -9.179881 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1011) -1 -25.765247 -19.346431 -8.907319 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1011) -1 -26.580134 -20.534719 -8.478551 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1012) -1 -27.096356 -2.595680 -9.600055 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1012) -1 -26.175617 -2.931246 -9.468129 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1012) -1 -27.351414 -2.501384 -8.640763 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1013) -1 4.659179 -7.228468 -1.620957 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1013) -1 5.417003 -6.649807 -1.368341 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1013) -1 4.101274 -6.542868 -2.075186 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1014) -1 -20.391656 -0.948984 -16.189547 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1014) -1 -20.919034 -1.235565 -15.404536 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1014) -1 -20.665875 -1.643704 -16.828956 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1015) -1 13.515451 0.965071 -18.965405 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1015) -1 12.694962 0.793250 -18.435756 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1015) -1 14.093140 0.272894 -18.535361 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1016) -1 36.141702 2.504217 3.276004 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1016) -1 36.434051 3.356876 2.859902 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1016) -1 35.996988 1.977013 2.458366 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1017) -1 20.948214 7.865555 -12.409569 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1017) -1 21.038940 6.884436 -12.362808 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1017) -1 20.489241 7.935778 -13.284615 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1018) -1 -2.642512 -16.748058 13.460560 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1018) -1 -2.581408 -17.735888 13.361441 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1018) -1 -3.526472 -16.625632 13.020951 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1019) -1 -22.341608 7.746497 -4.259652 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1019) -1 -21.699001 7.090249 -4.607313 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1019) -1 -23.160228 7.197175 -4.275388 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1020) -1 23.321202 11.869549 2.003200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1020) -1 22.712905 11.834636 2.784418 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1020) -1 24.175196 11.752873 2.438682 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1021) -1 9.251775 -4.392978 -14.851039 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1021) -1 10.193906 -4.318705 -14.586258 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1021) -1 8.905800 -4.931583 -14.105336 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1022) -1 19.476826 -14.237264 9.833550 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1022) -1 20.408854 -14.501599 10.012934 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1022) -1 19.459196 -14.367026 8.858347 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1023) -1 -5.565076 3.252794 -10.939401 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1023) -1 -4.693254 3.473606 -11.365642 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1023) -1 -5.333381 2.342645 -10.626136 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1024) -1 20.675919 15.807489 13.769934 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1024) -1 21.636955 15.845793 13.594926 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1024) -1 20.331219 16.155177 12.913642 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1025) -1 21.673576 -14.274055 1.503148 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1025) -1 21.551057 -13.869295 0.634182 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1025) -1 20.746722 -14.550293 1.711652 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1026) -1 14.914694 -4.801483 15.767023 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1026) -1 15.733346 -5.160716 15.366688 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1026) -1 14.696453 -4.092904 15.122866 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1027) -1 12.734849 13.425333 14.204910 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1027) -1 13.389011 13.019169 13.581602 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1027) -1 11.915048 12.991297 13.869338 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1028) -1 -15.410125 15.898144 6.544119 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1028) -1 -16.000996 15.226388 6.966521 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1028) -1 -15.057572 15.341507 5.805085 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1029) -1 1.817941 7.609288 4.042970 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1029) -1 2.428679 7.575033 4.809488 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1029) -1 1.987389 6.725074 3.650457 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1030) -1 -18.029364 25.480702 -1.004963 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1030) -1 -18.725968 25.863327 -1.593655 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1030) -1 -18.608753 24.905616 -0.444300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1031) -1 17.453246 10.623245 13.328423 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1031) -1 18.408149 10.378377 13.373481 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1031) -1 17.490234 11.193151 12.516893 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1032) -1 -17.722798 -14.470448 -16.351996 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1032) -1 -18.432348 -14.958100 -15.872021 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1032) -1 -17.710144 -13.644771 -15.812464 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1033) -1 -28.242458 -20.631451 -0.986830 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1033) -1 -27.602347 -20.302258 -1.661463 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1033) -1 -27.654212 -21.287273 -0.527873 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1034) -1 -22.284948 2.461032 -14.839516 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1034) -1 -22.535307 1.674589 -14.316057 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1034) -1 -21.519823 2.115733 -15.338797 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1035) -1 0.258990 -15.309969 -2.402162 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1035) -1 0.022047 -15.870727 -1.618799 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1035) -1 -0.414663 -15.654522 -3.037285 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1036) -1 -15.805444 27.271582 3.793234 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1036) -1 -15.037321 27.146126 3.192036 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1036) -1 -15.329696 27.257084 4.655599 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1037) -1 5.926521 5.637902 6.534002 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1037) -1 6.851609 5.861523 6.754733 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1037) -1 6.065535 5.048069 5.756882 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1038) -1 -11.741108 26.058676 -11.141784 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1038) -1 -12.082535 26.971004 -11.128177 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1038) -1 -10.793213 26.225214 -10.927745 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1039) -1 12.377829 11.765809 -13.319327 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1039) -1 12.119662 10.816818 -13.226199 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1039) -1 11.477933 12.152837 -13.465619 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1040) -1 12.497787 3.330721 -19.942977 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1040) -1 12.940122 2.466273 -19.762643 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1040) -1 11.762312 3.267852 -19.292557 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1041) -1 -26.395276 0.119811 4.304311 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1041) -1 -25.403664 0.125785 4.289256 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1041) -1 -26.536579 -0.628537 4.924063 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1042) -1 -10.197209 -18.335195 -13.817020 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1042) -1 -9.816024 -19.193566 -13.588143 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1042) -1 -9.427334 -17.742194 -13.626626 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1043) -1 -10.190081 8.597316 15.507961 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1043) -1 -10.129542 7.811484 16.097970 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1043) -1 -10.662620 8.181323 14.741648 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1044) -1 -25.184177 12.171040 8.069394 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1044) -1 -25.029758 11.405882 7.473825 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1044) -1 -24.716408 11.855087 8.873767 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1045) -1 -22.780852 -5.949945 -12.564864 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1045) -1 -22.044294 -5.754039 -13.189523 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1045) -1 -22.373304 -6.696834 -12.068569 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1046) -1 -30.090461 -16.763551 -4.032095 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1046) -1 -30.358945 -15.824153 -4.155502 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1046) -1 -30.661477 -16.991426 -3.258729 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1047) -1 -8.288682 15.495095 3.308018 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1047) -1 -7.555138 14.846294 3.362900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1047) -1 -8.641527 15.280405 2.417590 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1048) -1 -10.162219 -10.788417 -13.849277 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1048) -1 -10.788387 -10.529825 -13.137187 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1048) -1 -9.393477 -10.209747 -13.588006 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1049) -1 -1.464001 12.189329 7.274695 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1049) -1 -1.979645 11.672072 7.925410 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1049) -1 -0.567985 11.813793 7.416852 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1050) -1 13.589972 18.308054 -5.452693 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1050) -1 13.673217 18.572859 -4.508064 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1050) -1 14.052836 17.438443 -5.414001 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1051) -1 -23.249870 3.864729 2.908726 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1051) -1 -23.768030 3.449614 3.631692 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1051) -1 -23.719931 4.727963 2.841602 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1052) -1 -27.054066 -17.545185 -15.016930 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1052) -1 -27.291361 -16.599615 -14.914554 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1052) -1 -26.097601 -17.455484 -15.232982 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1053) -1 -7.728996 27.383944 -1.656535 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1053) -1 -8.059915 26.505715 -1.949240 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1053) -1 -7.545841 27.188177 -0.713437 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1054) -1 18.794078 -0.083666 -18.474105 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1054) -1 19.744108 -0.062055 -18.212586 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1054) -1 18.784903 0.667631 -19.111470 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1055) -1 -24.474890 16.211038 1.051262 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1055) -1 -24.498350 15.387532 1.596466 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1055) -1 -23.498761 16.344850 1.013650 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1056) -1 11.865553 -3.690784 -14.257545 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1056) -1 11.750087 -2.922567 -14.859999 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1056) -1 12.752984 -4.006149 -14.570948 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1057) -1 23.524849 14.519015 10.912415 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1057) -1 22.567971 14.472701 10.640642 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1057) -1 23.432490 15.176572 11.643862 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1058) -1 29.430667 9.589714 -10.487249 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1058) -1 30.109715 9.311302 -11.136379 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1058) -1 28.732915 8.927042 -10.686503 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1059) -1 -5.251372 2.680234 21.233035 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1059) -1 -5.492817 3.515883 20.759032 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1059) -1 -4.286031 2.720484 21.166506 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1060) -1 -18.927003 9.965112 14.716255 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1060) -1 -19.173961 10.083737 15.646525 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1060) -1 -18.595714 9.031367 14.742974 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1061) -1 -24.947446 4.791548 -9.434934 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1061) -1 -25.400766 5.001552 -8.592700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1061) -1 -25.074237 3.805434 -9.438450 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1062) -1 9.132394 -14.233787 8.157309 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1062) -1 9.573104 -13.519719 7.641003 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1062) -1 9.939790 -14.769647 8.382621 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1063) -1 21.295838 -0.332800 -17.457489 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1063) -1 20.971360 -1.221408 -17.170212 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1063) -1 21.667288 -0.019371 -16.602440 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1064) -1 35.937914 -1.805545 -0.000739 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1064) -1 36.619664 -2.520903 0.073051 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1064) -1 35.389744 -2.199880 -0.725328 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1065) -1 -17.820401 -18.261706 -15.265403 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1065) -1 -17.082998 -18.820997 -14.927952 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1065) -1 -17.318526 -17.706408 -15.906345 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1066) -1 -7.857051 18.820214 -1.603257 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1066) -1 -7.749281 17.911144 -1.224611 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1066) -1 -7.880439 19.337927 -0.766724 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1067) -1 16.469894 22.744227 3.798573 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1067) -1 16.679051 23.090664 2.919626 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1067) -1 16.711848 21.793848 3.682073 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1068) -1 2.280817 -10.551708 -1.908509 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1068) -1 3.188175 -10.445504 -1.547168 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1068) -1 2.141136 -11.511520 -1.732385 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1069) -1 -19.371861 4.266616 -15.139679 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1069) -1 -19.638083 3.546903 -15.757816 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1069) -1 -19.496223 3.780900 -14.285079 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1070) -1 9.348083 -5.564230 -10.072292 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1070) -1 10.291173 -5.509576 -9.802038 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1070) -1 9.172922 -6.511873 -9.868918 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1071) -1 -8.613055 23.888725 1.290857 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1071) -1 -8.470452 23.467084 0.416127 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1071) -1 -8.254066 23.172241 1.873389 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1072) -1 -13.467037 -7.794870 -14.835682 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1072) -1 -13.861702 -8.507526 -14.279616 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1072) -1 -12.809633 -8.347918 -15.333558 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1073) -1 -15.201468 12.644472 2.669146 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1073) -1 -14.751070 11.936440 2.135222 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1073) -1 -15.531418 13.199656 1.929453 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1074) -1 -11.523284 -19.242288 3.740599 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1074) -1 -11.870319 -20.093048 4.100834 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1074) -1 -11.113720 -18.887902 4.570456 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1075) -1 -19.113726 -3.566302 -15.635207 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1075) -1 -19.647163 -3.536686 -16.459401 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1075) -1 -18.977016 -2.614843 -15.480549 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1077) -1 28.810159 5.469960 13.683934 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1077) -1 28.616467 4.599268 13.272688 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1077) -1 29.557646 5.197846 14.275617 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1078) -1 -11.062754 -20.429730 9.438110 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1078) -1 -10.615908 -19.824269 10.082948 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1078) -1 -11.626424 -19.769050 8.973446 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1079) -1 24.426133 11.678209 -3.441404 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1079) -1 24.801551 12.350324 -4.065479 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1079) -1 23.532976 12.074426 -3.310468 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1080) -1 -22.998960 5.730628 -7.035669 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1080) -1 -23.228632 4.766896 -7.099240 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1080) -1 -23.567239 5.962666 -6.261706 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1081) -1 -7.978656 20.066870 -13.702177 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1081) -1 -7.597427 20.264670 -14.564871 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1081) -1 -8.450809 20.903378 -13.498267 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1082) -1 -27.669042 -18.713641 -10.804352 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1082) -1 -28.020199 -18.973022 -11.684752 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1082) -1 -27.137137 -19.492756 -10.575852 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1083) -1 -6.017464 23.556262 -7.596251 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1083) -1 -6.217771 23.170947 -6.721265 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1083) -1 -5.979087 22.752037 -8.151418 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1084) -1 14.858204 -0.887698 -17.563984 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1084) -1 14.780315 -1.222818 -16.644961 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1084) -1 15.671068 -1.390273 -17.837037 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1085) -1 -4.404283 -5.257787 21.305912 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1085) -1 -5.225310 -4.827249 21.639844 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1085) -1 -3.851208 -4.455914 21.165579 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1086) -1 6.433126 -9.490362 1.150378 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1086) -1 6.263143 -8.734079 1.765442 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1086) -1 6.688358 -10.171640 1.805621 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1087) -1 0.276410 9.334561 2.727599 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1087) -1 0.873182 8.663808 3.160753 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1087) -1 0.378220 10.054389 3.410952 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1089) -1 -17.284644 -22.212519 -0.556161 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1089) -1 -16.859935 -21.358513 -0.748653 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1089) -1 -16.533887 -22.676978 -0.108510 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1090) -1 -20.452039 8.674101 6.236033 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1090) -1 -20.982906 8.083979 5.637422 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1090) -1 -20.169976 8.003284 6.898379 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1091) -1 -26.605861 -19.636029 -2.945999 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1091) -1 -27.056309 -18.751850 -3.003091 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1091) -1 -25.767276 -19.336365 -2.511995 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1092) -1 -24.027505 -0.826683 -10.888590 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1092) -1 -24.064223 -1.706710 -10.456967 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1092) -1 -24.915828 -0.486668 -10.669683 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1093) -1 -15.091521 13.786271 -8.659141 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1093) -1 -16.009054 13.409554 -8.758554 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1093) -1 -14.866383 13.864074 -9.616779 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1094) -1 -13.017201 19.555884 -13.688685 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1094) -1 -12.136186 19.112426 -13.782690 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1094) -1 -13.567779 18.744910 -13.535136 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1095) -1 -27.512732 2.580467 -5.926913 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1095) -1 -28.313031 2.234877 -5.476093 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1095) -1 -27.414059 1.882707 -6.623065 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1096) -1 -22.876999 2.406199 10.999242 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1096) -1 -23.407686 2.403939 10.155956 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1096) -1 -23.486614 1.928209 11.578912 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1097) -1 27.404514 11.995292 -6.520084 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1097) -1 27.454536 11.556916 -7.405048 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1097) -1 27.421511 11.174799 -5.956260 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1098) -1 25.160180 -6.487175 -18.319969 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1098) -1 24.543057 -6.981972 -17.743603 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1098) -1 25.077032 -5.589376 -17.947510 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1099) -1 -23.140669 -25.243325 -6.608129 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1099) -1 -22.261349 -25.159138 -7.047609 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1099) -1 -23.077730 -24.485291 -5.983285 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1100) -1 -16.995639 30.807033 -5.611835 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1100) -1 -16.245436 31.179563 -5.092909 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1100) -1 -16.495041 30.480088 -6.397422 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1101) -1 -13.685223 -17.694015 19.148937 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1101) -1 -13.128302 -18.281671 19.672431 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1101) -1 -13.453267 -17.977187 18.233651 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1102) -1 -2.270745 -8.613130 20.459549 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1102) -1 -1.879233 -9.490301 20.364083 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1102) -1 -1.648105 -8.065768 19.936192 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1103) -1 25.523894 7.968620 -5.475861 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1103) -1 24.852717 8.269430 -4.828619 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1103) -1 25.230035 7.052011 -5.633611 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1104) -1 -10.036601 -16.751290 14.874049 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1104) -1 -10.470236 -17.168677 14.079607 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1104) -1 -9.177067 -17.233086 14.846831 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1105) -1 -29.110806 0.392775 -5.185013 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1105) -1 -28.682968 0.364357 -6.072052 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1105) -1 -29.583548 -0.481505 -5.226053 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1106) -1 -22.747656 11.996113 -6.331176 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1106) -1 -23.642072 12.329001 -6.181833 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1106) -1 -22.209059 12.794127 -6.134361 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1107) -1 35.092645 -0.678045 8.801194 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1107) -1 34.788307 0.025819 8.182207 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1107) -1 35.146769 -1.433287 8.169212 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1108) -1 27.271689 4.813339 -13.640405 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1108) -1 27.224806 4.091576 -14.289523 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1108) -1 26.420258 4.627781 -13.141427 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1109) -1 8.524881 -14.507972 -4.892679 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1109) -1 8.680684 -15.188846 -5.591179 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1109) -1 7.556139 -14.491684 -4.872062 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1110) -1 -20.904322 14.580241 -0.202778 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1110) -1 -20.623051 14.544981 -1.152650 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1110) -1 -20.004035 14.594298 0.206701 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1111) -1 -10.766657 19.309586 4.167733 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1111) -1 -10.708531 18.510466 3.613534 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1111) -1 -11.659657 19.632434 3.939415 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1112) -1 23.006160 -16.889218 7.723183 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1112) -1 22.663536 -16.584389 6.858066 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1112) -1 23.939110 -17.030098 7.521843 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1113) -1 -13.608393 26.968611 5.525645 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1113) -1 -13.413234 26.036867 5.801426 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1113) -1 -13.248678 27.449968 6.286751 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1114) -1 -17.415197 -22.245558 5.634017 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1114) -1 -17.819954 -21.728348 4.898751 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1114) -1 -18.085516 -22.922036 5.778573 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1115) -1 17.145307 -15.468616 7.591171 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1115) -1 18.087322 -15.354829 7.336645 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1115) -1 16.890338 -16.194755 6.972742 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1116) -1 16.038472 17.815705 -7.100835 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1116) -1 15.317919 18.430453 -6.870903 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1116) -1 15.721712 17.000731 -6.651691 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1117) -1 -7.172335 10.011616 12.714219 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1117) -1 -7.173500 9.606694 13.607737 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1117) -1 -7.058540 9.214241 12.158171 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1118) -1 10.506336 1.122129 12.198622 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1118) -1 9.581967 1.394645 12.396221 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1118) -1 10.320167 0.301433 11.675416 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1119) -1 -30.923661 -14.142267 -4.019203 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1119) -1 -31.437333 -13.325696 -4.132401 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1119) -1 -30.442064 -14.147397 -4.897143 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1120) -1 15.880117 -17.926961 0.510460 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1120) -1 16.641280 -17.345267 0.753348 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1120) -1 16.228650 -18.270953 -0.352182 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1121) -1 30.773874 6.008876 9.400039 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1121) -1 30.253074 6.444645 10.121804 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1121) -1 30.039598 5.771919 8.792677 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1122) -1 -11.627078 1.162003 -14.991282 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1122) -1 -11.605014 0.185869 -14.906284 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1122) -1 -12.476796 1.340479 -14.508667 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1123) -1 7.804121 -7.653355 -0.403453 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1123) -1 8.120696 -8.021131 -1.260426 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1123) -1 7.469350 -8.466384 0.022260 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1124) -1 33.598199 1.821286 -0.197714 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1124) -1 32.988268 1.314300 0.394187 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1124) -1 32.936233 2.139256 -0.858977 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1125) -1 -16.752891 27.701282 -0.039868 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1125) -1 -17.056844 26.800862 -0.301650 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1125) -1 -17.513338 27.961820 0.533777 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1126) -1 -7.993426 3.661591 13.686273 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1126) -1 -7.469064 2.869431 13.412830 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1126) -1 -7.436109 3.939096 14.460218 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1127) -1 6.313275 -2.132829 -8.893467 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1127) -1 6.138472 -2.953690 -8.348916 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1127) -1 5.712411 -1.519970 -8.404617 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1128) -1 33.835635 1.904432 11.624792 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1128) -1 33.440244 1.965884 10.733617 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1128) -1 34.443992 1.144446 11.498651 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1129) -1 28.957643 -2.075552 16.885559 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1129) -1 29.084208 -2.174243 15.903351 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1129) -1 28.032033 -1.754323 16.876825 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1130) -1 -7.008411 12.540103 -3.310428 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1130) -1 -7.045877 13.478970 -3.063466 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1130) -1 -6.198392 12.268170 -2.800366 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1131) -1 1.623401 -14.430181 -4.696976 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1131) -1 1.231036 -14.784575 -3.866992 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1131) -1 2.522749 -14.196314 -4.356861 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1132) -1 20.552605 9.507889 -10.370726 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1132) -1 20.651768 8.856497 -11.114014 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1132) -1 21.094647 9.044498 -9.692908 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1133) -1 -20.185038 6.480624 10.452141 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1133) -1 -20.026914 6.541761 9.473320 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1133) -1 -20.463263 5.539374 10.502199 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1134) -1 -28.175892 -5.127313 -8.725162 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1134) -1 -27.669965 -4.731161 -7.971831 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1134) -1 -28.125996 -4.398781 -9.365410 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1136) -1 -9.769838 14.732341 5.391978 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1136) -1 -9.246069 15.160177 4.668267 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1136) -1 -10.550944 15.327416 5.398561 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1137) -1 -4.262378 -9.838810 -10.499054 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1137) -1 -4.204807 -8.891802 -10.741073 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1137) -1 -4.589985 -9.727046 -9.558108 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1138) -1 -28.562476 -26.935327 -5.129802 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1138) -1 -28.078735 -27.650499 -5.590585 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1138) -1 -27.995204 -26.845451 -4.327932 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1139) -1 24.122136 12.403445 -10.683626 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1139) -1 23.151768 12.264667 -10.499949 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1139) -1 24.216974 13.275170 -10.218584 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1140) -1 -16.043127 18.447795 6.097017 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1140) -1 -15.912983 17.501044 6.360929 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1140) -1 -15.253985 18.549674 5.520560 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1141) -1 -11.824249 11.472875 -7.667425 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1141) -1 -11.935036 11.029538 -8.542341 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1141) -1 -11.684481 10.669862 -7.106351 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1142) -1 2.048167 -9.894705 3.698145 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1142) -1 1.566255 -9.672667 4.514626 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1142) -1 2.042164 -10.872882 3.732060 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1143) -1 -7.854688 13.550194 15.978087 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1143) -1 -7.345348 12.835464 16.451596 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1143) -1 -7.875032 13.125928 15.083634 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1144) -1 27.038750 -12.493282 -12.865240 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1144) -1 27.089929 -11.694779 -13.444713 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1144) -1 26.398702 -13.028978 -13.381513 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1145) -1 -14.493973 -25.505344 -0.458962 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1145) -1 -14.829799 -24.713730 0.022928 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1145) -1 -14.605874 -25.177165 -1.388520 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1146) -1 14.351094 -4.311425 -14.979912 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1146) -1 15.106022 -4.880338 -15.256073 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1146) -1 14.759951 -3.426774 -15.084265 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1147) -1 -15.194282 21.145184 -13.868431 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1147) -1 -15.738116 20.476938 -13.376427 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1147) -1 -14.385434 20.588797 -14.009297 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1148) -1 -6.285747 -19.784342 9.295480 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1148) -1 -6.775920 -19.477800 10.099131 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1148) -1 -6.085140 -18.889880 8.903242 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1149) -1 15.223138 20.146501 1.169619 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1149) -1 15.068107 20.497562 0.252588 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1149) -1 15.726018 19.320876 0.903816 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1150) -1 18.999185 -8.553556 14.997941 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1150) -1 19.300712 -7.700838 14.587037 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1150) -1 18.769625 -9.053841 14.201801 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1151) -1 21.489719 5.217807 -12.050998 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1151) -1 21.270186 5.262410 -11.091974 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1151) -1 21.528760 4.259153 -12.186377 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1152) -1 10.566703 10.187589 14.972906 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1152) -1 11.507416 10.243518 15.259705 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1152) -1 10.367758 9.265213 15.194532 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1153) -1 -6.692152 -12.183324 18.703304 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1153) -1 -7.070287 -12.604625 17.882479 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1153) -1 -6.630434 -13.008903 19.252599 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1154) -1 -5.642722 -16.549508 -11.834681 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1154) -1 -5.205350 -16.861173 -11.000513 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1154) -1 -4.917250 -16.755216 -12.467590 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1155) -1 1.828302 -16.204647 5.893415 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1155) -1 2.540402 -15.568594 5.622253 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1155) -1 2.261072 -17.044275 5.664192 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1156) -1 34.883516 4.215930 0.084001 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1156) -1 34.018823 4.658894 0.239401 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1156) -1 34.567673 3.300427 -0.091057 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1157) -1 10.595516 -14.668258 1.749840 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1157) -1 10.399141 -13.844438 1.258533 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1157) -1 10.321837 -14.391929 2.657914 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1158) -1 -4.704631 11.882581 -2.126000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1158) -1 -4.067296 11.698408 -1.405701 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1158) -1 -4.415711 11.207693 -2.784290 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1159) -1 -2.925461 -19.392069 12.995303 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1159) -1 -3.022283 -19.702783 12.063052 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1159) -1 -3.867847 -19.449788 13.276112 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1160) -1 -17.513734 -9.613915 12.562028 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1160) -1 -18.466974 -9.548376 12.279829 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1160) -1 -17.169269 -10.142331 11.810776 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1161) -1 -14.145584 13.988001 -11.202106 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1161) -1 -13.279337 14.399318 -10.986888 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1161) -1 -13.828374 13.095588 -11.495422 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1162) -1 -27.747750 -20.696734 -7.155004 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1162) -1 -27.879520 -19.714115 -7.188801 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1162) -1 -28.693832 -20.975354 -7.155902 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1163) -1 29.462390 13.068308 0.832024 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1163) -1 30.154297 12.396947 0.641071 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1163) -1 29.988389 13.875281 0.880169 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1164) -1 8.155218 -4.002157 7.688416 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1164) -1 7.703808 -3.864784 6.813885 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1164) -1 9.079702 -3.791550 7.405658 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1165) -1 -18.420653 -20.927932 3.515345 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1165) -1 -18.944772 -20.088083 3.498926 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1165) -1 -18.794200 -21.339472 2.689124 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1166) -1 9.994951 14.590270 -11.193550 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1166) -1 10.022740 15.193419 -10.413891 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1166) -1 10.959951 14.364541 -11.244470 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1167) -1 -22.958105 -7.035365 10.022942 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1167) -1 -22.289090 -6.407546 9.643419 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1167) -1 -23.021879 -6.664414 10.922620 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1168) -1 25.500417 13.496223 -5.151790 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1168) -1 26.117958 13.093180 -5.800672 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1168) -1 25.055589 14.159642 -5.722414 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1169) -1 20.826838 -15.664583 -2.869423 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1169) -1 20.674967 -15.918093 -1.931408 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1169) -1 21.252612 -14.782384 -2.729250 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1170) -1 -18.483429 23.526597 2.716910 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1170) -1 -18.153888 22.634211 2.461952 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1170) -1 -18.994083 23.300584 3.522329 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1171) -1 21.500844 4.193402 14.193855 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1171) -1 20.832560 4.627941 13.620797 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1171) -1 22.304889 4.665511 13.922104 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1172) -1 0.371887 11.220687 4.587757 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1172) -1 0.651402 11.294870 5.520687 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1172) -1 -0.128497 12.043760 4.466229 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1173) -1 17.104096 7.489077 -14.997475 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1173) -1 18.040540 7.707926 -14.806708 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1173) -1 16.655043 8.204415 -14.497137 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1174) -1 31.471230 -2.126861 11.438152 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1174) -1 31.988566 -1.604584 12.093066 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1174) -1 31.534887 -1.543819 10.661139 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1175) -1 11.271662 3.303918 -17.486456 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1175) -1 11.384525 2.338027 -17.339125 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1175) -1 12.112492 3.637214 -17.099539 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1176) -1 18.529446 -16.147351 -12.574675 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1176) -1 18.563874 -16.146967 -13.563069 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1176) -1 17.564083 -16.226902 -12.436374 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1177) -1 -8.024837 -13.276183 16.681272 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1177) -1 -8.026341 -14.253368 16.775216 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1177) -1 -8.960683 -13.075887 16.885577 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1178) -1 34.356321 -6.915062 4.322892 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1178) -1 34.255675 -5.979551 4.035809 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1178) -1 34.154465 -6.832701 5.269218 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1179) -1 -29.076833 -4.340720 -4.306351 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1179) -1 -28.412933 -4.308931 -3.572607 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1179) -1 -28.802471 -5.181526 -4.729292 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1180) -1 16.596707 -17.791046 -9.161101 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1180) -1 17.578837 -17.661917 -9.122764 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1180) -1 16.390440 -17.721751 -8.203723 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1181) -1 -8.071109 -15.961177 17.250221 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1181) -1 -8.981529 -16.296298 17.376459 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1181) -1 -7.769399 -16.538029 16.515616 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1182) -1 0.833985 -0.681446 13.982733 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1182) -1 -0.027265 -1.150092 13.890362 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1182) -1 1.007395 -0.482842 13.032868 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1183) -1 -14.546435 9.552554 -12.967059 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1183) -1 -15.339992 9.244360 -13.426616 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1183) -1 -14.172999 8.690087 -12.657464 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1184) -1 -16.615721 17.557422 10.579830 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1184) -1 -17.359153 17.260853 9.994766 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1184) -1 -16.980665 17.266496 11.447483 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1185) -1 -9.129065 -20.910905 -6.882205 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1185) -1 -9.842049 -21.516627 -7.192039 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1185) -1 -8.441966 -21.584908 -6.650351 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1186) -1 -4.141900 10.019419 -4.000345 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1186) -1 -4.015495 9.090551 -3.677583 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1186) -1 -3.334966 10.068260 -4.583996 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1187) -1 -7.405066 -22.691311 -5.847863 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1187) -1 -6.872761 -23.487281 -5.735422 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1187) -1 -7.425571 -22.344406 -4.925033 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1188) -1 -29.902420 20.052702 -2.087822 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1188) -1 -30.665314 19.532803 -2.381897 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1188) -1 -29.477321 19.394795 -1.471395 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1189) -1 -2.176746 -4.096565 -11.506934 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1189) -1 -2.420474 -4.678001 -12.270147 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1189) -1 -1.470823 -4.626490 -11.103850 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1190) -1 1.351257 -3.289929 -6.279572 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1190) -1 1.682904 -2.544432 -6.817794 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1190) -1 1.866168 -3.155675 -5.452612 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1191) -1 -3.498209 10.559877 8.388633 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1191) -1 -3.986915 9.939512 8.976038 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1191) -1 -4.236850 11.171744 8.151521 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1192) -1 25.133524 -8.709339 12.499044 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1192) -1 24.435669 -8.655646 13.198599 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1192) -1 25.462294 -7.781842 12.531018 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1193) -1 -22.719831 5.052517 -14.246095 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1193) -1 -22.620388 4.122810 -14.573111 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1193) -1 -23.166348 4.871230 -13.390407 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1194) -1 14.846884 -20.419766 -1.050082 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1194) -1 14.875353 -20.114095 -0.133947 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1194) -1 15.610526 -19.943333 -1.437852 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1195) -1 -24.533927 2.776536 5.035519 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1195) -1 -23.869061 2.985117 5.734355 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1195) -1 -24.252682 1.844979 4.832822 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1196) -1 -3.001112 3.313462 -11.828218 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1196) -1 -2.186504 3.745067 -12.126356 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1196) -1 -2.671355 2.406062 -11.643666 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1197) -1 22.516887 -4.174432 -12.448564 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1197) -1 22.788830 -4.172644 -11.496196 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1197) -1 22.200342 -3.249374 -12.521593 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1198) -1 24.213801 -9.974618 3.425557 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1198) -1 24.062853 -10.472846 2.607394 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1198) -1 24.526115 -10.704509 4.017815 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1199) -1 29.827542 -7.279766 -0.327821 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1199) -1 29.447564 -8.146630 -0.615262 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1199) -1 30.781319 -7.466827 -0.520866 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1200) -1 -14.063869 16.989437 15.816920 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1200) -1 -13.161928 17.366105 15.787377 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1200) -1 -13.852701 16.100632 16.197376 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1201) -1 -23.350464 18.109960 6.046949 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1201) -1 -23.403283 17.524107 6.848903 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1201) -1 -23.870208 17.527047 5.429844 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1202) -1 22.203980 -14.910028 9.570335 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1202) -1 22.236618 -14.480108 8.670515 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1202) -1 22.472505 -15.817849 9.297254 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1203) -1 21.536262 12.039978 -10.134497 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1203) -1 21.090944 11.168377 -10.225280 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1203) -1 20.796839 12.639450 -10.362627 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1204) -1 29.198451 2.268803 -5.918485 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1204) -1 29.414148 1.539323 -6.547518 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1204) -1 28.525558 2.747832 -6.452518 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1205) -1 22.326143 17.465202 -7.431157 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1205) -1 22.052088 18.386851 -7.193070 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1205) -1 21.445000 17.023446 -7.321734 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1206) -1 -15.940729 -0.847140 17.460658 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1206) -1 -16.326853 -0.480995 16.623508 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1206) -1 -16.581465 -1.600355 17.581567 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1207) -1 26.997755 -0.710906 -8.312822 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1207) -1 26.509186 -1.313226 -8.937067 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1207) -1 26.896430 0.127612 -8.853939 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1208) -1 -6.916390 -19.245721 0.432203 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1208) -1 -6.210249 -18.832401 0.977605 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1208) -1 -7.299792 -19.865746 1.091811 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1209) -1 -1.167405 -15.284455 15.149531 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1209) -1 -1.706751 -15.813701 14.503068 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1209) -1 -1.104271 -15.926000 15.874405 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1210) -1 -19.312460 -4.994291 16.989698 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1210) -1 -20.231972 -5.174637 16.713560 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1210) -1 -18.910730 -5.877007 16.816388 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1211) -1 -11.752459 9.074762 3.752033 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1211) -1 -12.378983 8.772749 3.046402 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1211) -1 -10.956348 9.231225 3.202421 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1212) -1 24.964782 -11.261644 -3.409851 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1212) -1 24.757754 -12.085385 -3.923858 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1212) -1 24.035050 -10.975979 -3.225993 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1213) -1 21.951873 -0.112341 -14.791854 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1213) -1 22.172104 0.505281 -14.067095 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1213) -1 21.212157 -0.610384 -14.395833 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1214) -1 -7.603246 21.859173 2.794701 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1214) -1 -6.690232 21.660538 3.067744 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1214) -1 -8.083353 21.537738 3.609966 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1215) -1 27.753900 4.755658 -0.331085 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1215) -1 27.457541 4.936613 0.590384 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1215) -1 28.693512 4.507992 -0.147032 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1216) -1 6.308306 -3.478423 2.663095 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1216) -1 6.462925 -4.302354 2.142270 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1216) -1 5.471826 -3.176372 2.221818 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1217) -1 8.625931 -8.643022 -2.795723 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1217) -1 8.386499 -8.025102 -3.516256 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1217) -1 9.244719 -9.235116 -3.246421 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1218) -1 -4.372196 0.933644 -9.985317 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1218) -1 -3.487662 0.883736 -10.432610 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1218) -1 -4.073499 1.285079 -9.111061 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1219) -1 25.159050 -1.788099 -9.953299 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1219) -1 24.541774 -1.033775 -9.859387 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1219) -1 24.540179 -2.530986 -10.075472 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1220) -1 13.421805 -4.879626 18.013730 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1220) -1 12.813737 -4.239546 17.627218 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1220) -1 14.070782 -4.983736 17.276382 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1221) -1 -20.458666 -7.624849 7.636194 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1221) -1 -20.610074 -6.798731 8.154209 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1221) -1 -19.779627 -7.313625 7.007232 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1222) -1 -24.278282 -3.260593 6.296006 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1222) -1 -23.789473 -2.699065 5.633514 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1222) -1 -23.560902 -3.897073 6.508681 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1223) -1 27.603547 7.502975 -13.651106 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1223) -1 27.508320 6.532758 -13.819465 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1223) -1 26.825166 7.817466 -14.182186 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1224) -1 -15.602229 6.857967 13.455240 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1224) -1 -16.346065 6.908862 12.812766 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1224) -1 -15.518188 5.878452 13.523664 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1225) -1 15.529677 17.578343 6.811761 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1225) -1 15.445303 17.478355 5.829108 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1225) -1 15.652856 16.640912 7.060609 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1226) -1 -27.589151 0.230775 -2.916728 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1226) -1 -28.240870 0.322866 -3.651163 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1226) -1 -27.509824 -0.736622 -2.872780 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1227) -1 13.305274 -13.438776 7.966261 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1227) -1 14.299736 -13.477680 7.944514 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1227) -1 13.220834 -12.659080 8.575601 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1228) -1 -9.676715 -14.729998 20.734434 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1228) -1 -10.103876 -14.399324 21.533354 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1228) -1 -10.401284 -14.632358 20.076170 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1229) -1 -22.802662 -18.445626 3.462609 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1229) -1 -23.007887 -19.226129 4.000127 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1229) -1 -22.532709 -17.810014 4.170163 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1230) -1 13.291291 4.203218 14.096497 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1230) -1 12.873385 3.316716 14.177253 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1230) -1 12.517851 4.737384 13.825116 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1231) -1 -20.732992 26.145867 -8.478876 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1231) -1 -20.101341 25.410689 -8.655123 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1231) -1 -21.570637 25.697250 -8.732875 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1232) -1 24.890433 -12.743204 -7.058848 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1232) -1 25.718408 -13.250633 -7.227447 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1232) -1 24.732072 -12.391140 -7.960673 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1233) -1 -24.585837 -8.138263 0.762571 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1233) -1 -24.708171 -7.162062 0.765623 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1233) -1 -23.643423 -8.177758 1.048177 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1234) -1 -11.606952 -10.097866 16.441118 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1234) -1 -11.900993 -9.509484 15.728792 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1234) -1 -11.270406 -9.436141 17.093668 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1235) -1 -14.428265 17.290363 -13.175326 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1235) -1 -15.084757 16.562152 -13.039080 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1235) -1 -13.601413 16.743955 -13.157931 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1236) -1 -22.599561 24.338940 -9.509496 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1236) -1 -23.404971 24.412033 -10.043172 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1236) -1 -22.022447 23.828317 -10.134510 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1237) -1 -16.686828 4.118080 -15.940025 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1237) -1 -16.086588 4.275633 -15.188451 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1237) -1 -17.548618 4.363105 -15.556473 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1238) -1 -13.106719 14.537944 16.514332 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1238) -1 -13.744947 13.857225 16.214303 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1238) -1 -12.284300 13.994237 16.550587 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1239) -1 8.256460 -1.490515 8.847580 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1239) -1 8.033060 -2.387729 8.514086 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1239) -1 8.109795 -0.968062 8.025025 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1240) -1 22.856958 1.330360 -12.517916 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1240) -1 23.470166 0.558558 -12.616022 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1240) -1 23.498042 1.959612 -12.090911 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1241) -1 5.767591 11.150592 -5.547801 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1241) -1 6.399602 11.503678 -4.869192 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1241) -1 6.326682 11.318440 -6.354164 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1242) -1 -23.309219 -20.526457 0.069049 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1242) -1 -23.697868 -21.363706 0.423689 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1242) -1 -22.442658 -20.888491 -0.243990 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1243) -1 -12.859693 29.720847 -12.749828 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1243) -1 -13.335183 30.552259 -12.527301 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1243) -1 -12.823891 29.309259 -11.853500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1244) -1 -12.615229 -17.435792 -13.074582 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1244) -1 -11.746547 -17.749620 -13.437005 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1244) -1 -13.117478 -17.371633 -13.925077 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1245) -1 -14.294629 -17.571525 -15.165469 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1245) -1 -14.850422 -18.308350 -14.836710 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1245) -1 -14.924207 -17.141339 -15.783553 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1246) -1 -15.491685 19.757608 2.503127 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1246) -1 -14.752313 19.903190 3.124878 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1246) -1 -15.475953 18.774251 2.443200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1247) -1 25.055593 -11.207591 13.662440 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1247) -1 24.319012 -10.883155 14.207259 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1247) -1 25.353521 -10.373593 13.243990 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1248) -1 -22.875340 6.819489 -9.470604 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1248) -1 -22.889864 6.461554 -8.544206 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1248) -1 -23.638085 6.319625 -9.833450 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1249) -1 3.091207 -13.515217 12.574192 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1249) -1 2.321224 -13.478485 13.184792 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1249) -1 2.827982 -14.287384 12.023835 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1250) -1 10.363622 -16.591988 5.142773 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1250) -1 10.504378 -17.174569 4.350477 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1250) -1 11.105046 -16.919583 5.702698 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1251) -1 -6.803511 13.143165 3.568590 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1251) -1 -7.466139 12.681011 3.006255 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1251) -1 -6.090763 12.475098 3.583705 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1252) -1 -10.487104 -18.613016 6.165854 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1252) -1 -11.160734 -18.510517 6.874548 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1252) -1 -9.782140 -19.075263 6.661188 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1253) -1 37.402679 -4.018419 0.524291 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1253) -1 37.700814 -4.169151 1.449111 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1253) -1 36.781415 -4.777131 0.426102 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1254) -1 -11.239351 -20.928444 12.356414 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1254) -1 -11.362578 -21.330715 11.478326 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1254) -1 -10.748261 -20.108738 12.094645 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1255) -1 23.520690 8.887367 -12.170126 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1255) -1 22.544879 8.727359 -12.159455 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1255) -1 23.804070 7.999608 -12.508327 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1256) -1 15.136477 17.447233 4.216487 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1256) -1 15.937606 17.540906 3.631364 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1256) -1 14.574638 18.150509 3.804221 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1257) -1 -30.864360 -14.988825 -10.661480 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1257) -1 -30.620357 -15.433718 -11.496909 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1257) -1 -30.285485 -14.203152 -10.698316 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1258) -1 10.958347 -17.891803 -5.549544 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1258) -1 11.273258 -18.265007 -6.411403 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1258) -1 10.200094 -17.360849 -5.882411 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1259) -1 13.496846 4.512214 -16.464880 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1259) -1 14.418810 4.182355 -16.366088 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1259) -1 13.448737 5.085928 -15.656668 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1260) -1 27.331915 9.595345 7.219069 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1260) -1 28.027170 8.941109 6.980862 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1260) -1 26.812438 9.583006 6.375543 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1261) -1 -10.111914 1.551471 20.322891 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1261) -1 -9.788993 1.965041 19.492736 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1261) -1 -10.782671 0.930749 19.940173 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1262) -1 -19.786539 24.110724 0.475436 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1262) -1 -20.145781 23.188216 0.446187 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1262) -1 -19.293867 24.033475 1.338228 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1263) -1 -6.823676 -15.336696 0.481188 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1263) -1 -7.623237 -15.265993 -0.074549 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1263) -1 -7.223498 -15.496307 1.362076 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1264) -1 -17.893272 16.596085 12.826500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1264) -1 -18.796826 16.881830 13.023756 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1264) -1 -18.049280 15.630578 12.654994 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1265) -1 2.567900 -12.627810 3.641987 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1265) -1 3.534989 -12.399373 3.628112 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1265) -1 2.615563 -13.428918 4.208195 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1266) -1 -12.914499 -18.127833 16.609205 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1266) -1 -13.463952 -17.491041 16.096244 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1266) -1 -12.638076 -18.718318 15.854178 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1267) -1 -18.816638 9.386603 4.129454 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1267) -1 -18.056374 9.973404 4.349168 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1267) -1 -19.187430 9.242918 5.026477 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1268) -1 -7.543675 -20.892485 4.804374 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1268) -1 -7.860576 -21.810564 4.978394 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1268) -1 -7.665050 -20.507718 5.700092 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1269) -1 10.009049 -14.278832 -2.632395 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1269) -1 10.510874 -15.127042 -2.704061 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1269) -1 9.466143 -14.352342 -3.453281 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1270) -1 -10.389467 11.197070 14.868848 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1270) -1 -10.332008 10.258876 15.183241 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1270) -1 -11.371135 11.229871 14.704644 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1271) -1 -9.178635 26.640028 -10.471950 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1271) -1 -8.710960 26.436823 -11.314395 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1271) -1 -8.579874 26.162281 -9.843789 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1272) -1 -2.507220 -12.901220 14.789796 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1272) -1 -2.128573 -13.743638 15.134721 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1272) -1 -2.265396 -13.008281 13.835609 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1273) -1 3.611473 6.470006 -5.803388 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1273) -1 3.717820 5.546499 -6.137249 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1273) -1 2.633600 6.449149 -5.636777 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1275) -1 -15.136814 -19.466996 7.378332 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1275) -1 -15.653579 -18.630137 7.262125 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1275) -1 -15.056506 -19.460848 8.356042 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1276) -1 -23.693152 -6.274036 17.055437 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1276) -1 -22.796011 -6.449903 16.676141 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1276) -1 -24.211786 -6.190499 16.243900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1277) -1 -19.339576 -15.958986 -14.749458 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1277) -1 -19.038409 -16.878980 -14.922565 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1277) -1 -18.720550 -15.759154 -13.978434 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1278) -1 -26.621067 -26.862855 -3.191396 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1278) -1 -26.559643 -26.107910 -2.565591 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1278) -1 -25.770381 -26.749741 -3.674327 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1279) -1 8.766380 0.091585 -17.341898 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1279) -1 8.320739 0.515000 -16.576997 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1279) -1 8.553983 -0.848759 -17.172687 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1280) -1 26.991043 -10.275744 -14.405509 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1280) -1 26.638030 -9.425848 -14.038308 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1280) -1 26.655051 -10.186927 -15.329567 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1281) -1 -7.641780 20.024478 -10.990841 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1281) -1 -7.576436 19.895377 -11.966454 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1281) -1 -8.592947 19.800700 -10.867410 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1282) -1 -30.133546 -21.718535 -2.571584 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1282) -1 -29.513594 -21.367648 -1.885345 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1282) -1 -30.660943 -20.903425 -2.735540 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1284) -1 10.672448 14.265699 9.073864 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1284) -1 9.996796 14.914097 8.835816 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1284) -1 11.455967 14.636438 8.597979 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1285) -1 -23.803738 3.661922 -3.070742 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1285) -1 -23.160407 3.334302 -3.763836 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1285) -1 -24.565236 3.064754 -3.308879 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1286) -1 -20.715254 10.262683 12.634979 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1286) -1 -20.758559 11.240198 12.695799 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1286) -1 -20.070445 10.076998 13.353132 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1287) -1 -10.487902 -19.182505 1.302749 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1287) -1 -10.991118 -19.107702 2.162733 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1287) -1 -9.719530 -19.708414 1.652917 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1288) -1 11.253875 -16.669569 -3.036499 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1288) -1 11.090116 -17.205944 -3.842751 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1288) -1 11.240171 -17.377264 -2.353751 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1289) -1 33.163142 7.859137 6.034779 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1289) -1 33.574572 8.378967 5.303723 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1289) -1 32.425794 7.442772 5.534770 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1290) -1 13.776576 -13.698957 5.229096 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1290) -1 13.540244 -13.647542 6.177565 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1290) -1 14.329838 -12.893279 5.143783 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1291) -1 16.809603 22.909157 6.547980 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1291) -1 16.749830 23.041205 5.580968 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1291) -1 16.599396 21.956887 6.611877 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1292) -1 -10.162998 -16.763417 -6.180044 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1292) -1 -10.941823 -16.207736 -5.928108 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1292) -1 -10.365650 -16.878530 -7.142649 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1293) -1 -25.164523 2.130777 -9.460643 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1293) -1 -24.551384 1.611390 -8.895152 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1293) -1 -25.742885 1.411936 -9.789978 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1294) -1 -0.593642 -15.739215 4.786483 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1294) -1 0.307512 -15.860075 5.176886 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1294) -1 -1.030875 -16.537208 5.182804 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1295) -1 8.049353 1.346944 -10.788651 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1295) -1 7.347167 0.679002 -10.965590 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1295) -1 8.840648 0.771444 -10.853167 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1296) -1 -0.942674 -1.688828 -11.007604 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1296) -1 -1.519985 -2.382905 -11.409768 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1296) -1 -0.477722 -2.268906 -10.342729 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1297) -1 20.006060 10.774301 -14.729333 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1297) -1 19.621745 10.992478 -13.849817 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1297) -1 20.619306 11.541988 -14.829662 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1298) -1 -9.037788 -18.040460 -0.634126 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1298) -1 -8.186293 -18.405260 -0.274099 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1298) -1 -9.641280 -18.348957 0.089511 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1299) -1 19.073154 11.091238 -12.178841 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1299) -1 19.540106 10.469015 -11.578106 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1299) -1 18.141642 10.856493 -11.970763 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1300) -1 -1.495400 -16.435380 8.645526 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1300) -1 -2.344781 -16.690897 9.090301 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1300) -1 -1.827325 -15.682135 8.097606 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1301) -1 -8.677942 24.810489 -4.907808 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1301) -1 -8.255088 25.510874 -5.458269 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1301) -1 -8.002579 24.098771 -5.007669 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1302) -1 -21.755212 16.731242 1.230964 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1302) -1 -21.555792 15.987331 0.603390 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1302) -1 -20.853624 16.780473 1.656942 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1303) -1 -9.996724 17.858778 -3.071823 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1303) -1 -10.041705 16.894570 -2.873386 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1303) -1 -9.221339 18.106387 -2.520183 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1304) -1 -18.688545 10.090336 -1.632086 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1304) -1 -19.362533 9.858704 -0.958201 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1304) -1 -18.049724 10.587209 -1.083437 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1305) -1 23.143845 -8.812250 14.298601 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1305) -1 22.391023 -8.402251 13.789637 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1305) -1 22.659615 -8.958265 15.152182 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1306) -1 -12.906242 29.799053 -3.227492 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1306) -1 -12.220594 29.466381 -3.862042 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1306) -1 -12.468348 29.500424 -2.385748 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1307) -1 -19.769836 6.560622 7.825876 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1307) -1 -20.246303 6.031009 7.144917 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1307) -1 -18.870695 6.585211 7.444403 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1308) -1 19.172289 16.321118 -2.343028 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1308) -1 18.798264 15.412149 -2.377383 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1308) -1 19.389061 16.445091 -3.302301 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1309) -1 14.313450 12.457539 16.209641 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1309) -1 15.140041 12.716670 15.747751 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1309) -1 13.659182 12.957017 15.669572 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1310) -1 8.016909 13.411808 -9.640217 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1310) -1 8.768565 13.292575 -9.008210 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1310) -1 8.514462 13.786927 -10.401400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1311) -1 2.975698 -4.372183 16.540854 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1311) -1 3.915988 -4.394630 16.762467 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1311) -1 2.966357 -3.667787 15.849538 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1312) -1 32.701858 11.654493 -3.694331 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1312) -1 33.340366 11.236988 -3.069410 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1312) -1 31.895965 11.650683 -3.136778 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1313) -1 -10.729350 18.120509 -13.460035 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1313) -1 -9.915584 17.886211 -13.932200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1313) -1 -11.154402 17.231161 -13.377028 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1314) -1 -10.546595 -22.390986 3.005961 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1314) -1 -11.188622 -22.673251 2.314670 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1314) -1 -11.188432 -22.073206 3.690577 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1315) -1 18.527577 -4.533834 -16.977480 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1315) -1 18.865115 -5.448443 -17.107338 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1315) -1 17.723126 -4.745570 -16.441762 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1316) -1 -21.202581 10.051160 -4.981380 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1316) -1 -21.701644 9.287838 -4.596551 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1316) -1 -21.937717 10.540157 -5.401622 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1317) -1 -12.381812 10.062531 -9.933545 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1317) -1 -12.990072 9.640789 -9.270386 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1317) -1 -11.914891 9.249865 -10.235312 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1318) -1 -20.964589 26.499043 0.057868 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1318) -1 -20.561054 25.622433 0.264860 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1318) -1 -20.671389 26.595024 -0.877570 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1319) -1 23.045128 -15.546319 -11.198566 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1319) -1 22.879687 -15.170268 -12.093890 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1319) -1 22.266214 -16.148358 -11.133504 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1320) -1 4.420179 13.447923 -5.006320 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1320) -1 4.793063 12.590414 -5.311399 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1320) -1 3.617649 13.123786 -4.545208 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1321) -1 -9.246555 14.406720 0.960257 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1321) -1 -10.159575 14.339129 0.610098 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1321) -1 -9.118530 13.491421 1.292478 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1322) -1 -23.518734 -3.059686 2.529821 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1322) -1 -23.964997 -2.376478 1.974346 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1322) -1 -23.378992 -2.514352 3.351521 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1323) -1 2.785425 -2.528725 14.544586 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1323) -1 2.219526 -1.716751 14.537363 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1323) -1 3.146405 -2.453645 13.620666 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1324) -1 -30.391737 -21.259291 -6.867791 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1324) -1 -30.479899 -20.324094 -6.563611 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1324) -1 -30.926621 -21.700771 -6.163575 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1325) -1 -12.567029 16.147441 -4.537290 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1325) -1 -11.885169 15.734066 -5.123022 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1325) -1 -12.569157 17.052171 -4.908007 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1326) -1 -2.264976 10.327033 2.301760 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1326) -1 -1.400946 9.868638 2.238290 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1326) -1 -2.457780 10.480532 1.353438 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1327) -1 -6.076423 21.640505 -9.604857 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1327) -1 -5.232629 21.163048 -9.657653 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1327) -1 -6.673153 20.971822 -10.038273 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1328) -1 -22.934812 -9.944638 -10.922247 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1328) -1 -22.345734 -10.529705 -11.454752 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1328) -1 -22.396139 -9.123096 -10.928217 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1329) -1 -12.097220 15.864692 -13.027042 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1329) -1 -11.945723 15.632989 -12.073215 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1329) -1 -12.045414 14.941230 -13.399245 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1330) -1 28.087501 -11.863442 -6.193360 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1330) -1 27.898875 -12.682050 -6.699757 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1330) -1 27.466798 -11.243239 -6.618683 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1331) -1 -22.568069 19.802585 8.314391 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1331) -1 -22.873979 19.515659 7.435941 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1331) -1 -21.665821 20.125078 8.103676 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1332) -1 17.268366 5.900095 -17.222097 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1332) -1 17.151503 6.539529 -16.479558 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1332) -1 16.902829 5.092643 -16.800390 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1333) -1 -13.008004 2.705563 18.219956 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1333) -1 -12.795080 3.058367 19.110689 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1333) -1 -13.967391 2.517187 18.336150 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1334) -1 -12.255872 15.913068 5.511887 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1334) -1 -12.436977 15.942599 6.476752 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1334) -1 -12.874831 15.196066 5.243451 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1335) -1 -27.729016 -17.171495 -2.732349 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1335) -1 -28.492442 -17.087858 -3.352897 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1335) -1 -27.857655 -16.342263 -2.217024 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1336) -1 -17.261354 -9.665609 15.252625 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1336) -1 -17.342977 -9.648385 14.270680 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1336) -1 -17.002827 -10.581509 15.403387 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1337) -1 28.660542 3.405783 -9.816866 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1337) -1 28.685618 4.211713 -10.392520 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1337) -1 29.610227 3.235950 -9.718465 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1338) -1 -2.397660 -18.605377 0.817670 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1338) -1 -3.327501 -18.478882 1.082471 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1338) -1 -2.386320 -19.537802 0.568064 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1339) -1 -23.529478 16.037347 7.818680 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1339) -1 -22.900408 15.285557 7.952524 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1339) -1 -24.302578 15.523800 7.482717 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1340) -1 31.623654 12.680747 -5.915668 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1340) -1 32.114778 12.357834 -5.120360 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1340) -1 31.984003 12.101804 -6.598087 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1341) -1 -11.855117 28.640739 -1.021315 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1341) -1 -12.606820 28.629343 -0.383003 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1341) -1 -11.383005 27.826317 -0.721909 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1342) -1 -6.086996 -10.850256 -12.353466 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1342) -1 -5.718110 -11.625694 -12.803623 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1342) -1 -5.341440 -10.556850 -11.801569 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1343) -1 -11.170783 28.634657 -4.911314 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1343) -1 -11.005014 27.690442 -5.149169 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1343) -1 -10.450558 28.747150 -4.235037 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1344) -1 -15.940212 4.104466 16.793454 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1344) -1 -16.789915 4.238676 16.318331 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1344) -1 -16.179815 3.380630 17.398993 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1345) -1 16.749276 17.580490 -1.914271 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1345) -1 17.697052 17.306280 -1.923376 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1345) -1 16.670108 17.798151 -0.942414 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1346) -1 33.766752 9.030862 3.650975 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1346) -1 33.116157 9.731667 3.400403 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1346) -1 33.520955 8.348988 2.977568 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1347) -1 -18.951412 26.805432 -14.680283 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1347) -1 -19.257220 25.956436 -15.080826 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1347) -1 -18.848898 26.515482 -13.750753 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1348) -1 -18.105467 6.651500 12.231003 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1348) -1 -18.339313 5.697707 12.376512 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1348) -1 -18.785189 6.856700 11.540658 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1349) -1 -7.596532 -21.800296 -3.316237 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1349) -1 -8.273368 -21.151218 -2.979726 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1349) -1 -6.791701 -21.334028 -2.966507 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1350) -1 -10.348535 -8.542751 18.241798 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1350) -1 -9.798238 -9.252088 18.649185 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1350) -1 -10.128143 -7.805326 18.864786 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1351) -1 26.141240 13.953604 10.494195 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1351) -1 26.238832 13.458296 9.660770 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1351) -1 25.194301 14.215978 10.439626 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1352) -1 22.320254 -15.536486 5.344588 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1352) -1 21.480954 -15.238474 4.925558 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1352) -1 22.366438 -14.863041 6.077455 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1353) -1 9.905327 12.492205 -2.533966 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1353) -1 10.141471 12.590085 -1.573297 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1353) -1 10.797043 12.240625 -2.877329 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1354) -1 14.729176 9.819288 13.386893 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1354) -1 15.708441 9.922836 13.416204 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1354) -1 14.507075 10.699368 12.971661 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1355) -1 11.042447 -6.202390 6.074045 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1355) -1 11.302387 -7.116561 5.820297 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1355) -1 10.509270 -6.402679 6.881509 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1356) -1 30.573171 -7.993077 -4.049282 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1356) -1 29.714373 -7.635876 -3.736839 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1356) -1 30.316419 -8.931515 -4.197535 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1357) -1 -1.958611 -13.484567 -4.573029 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1357) -1 -2.794577 -13.568537 -4.076442 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1357) -1 -1.655214 -14.420647 -4.551777 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1358) -1 11.545350 15.232397 3.215988 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1358) -1 12.362525 15.068372 3.766892 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1358) -1 11.398773 16.178280 3.501321 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1359) -1 20.938194 5.668596 -9.387915 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1359) -1 20.218817 5.778152 -8.743038 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1359) -1 21.423582 6.517085 -9.253496 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1360) -1 22.192365 -15.402063 -5.338587 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1360) -1 21.687098 -15.740746 -6.097451 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1360) -1 21.674443 -15.745445 -4.589062 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1361) -1 21.131703 12.540512 12.555895 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1361) -1 20.414995 12.937236 13.116852 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1361) -1 21.100507 13.203081 11.813575 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1362) -1 22.544438 -14.129863 -13.464602 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1362) -1 22.265266 -13.205290 -13.709139 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1362) -1 21.849839 -14.613992 -14.013265 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1363) -1 11.392939 0.615089 -17.297008 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1363) -1 10.420498 0.504552 -17.484826 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1363) -1 11.500875 -0.155790 -16.687092 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1364) -1 24.099280 -1.902321 -15.201776 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1364) -1 23.339920 -1.287338 -15.278044 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1364) -1 24.427735 -1.653485 -14.311350 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1365) -1 -19.655409 18.710083 -10.072962 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1365) -1 -19.280238 18.385633 -10.920054 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1365) -1 -19.509294 17.903185 -9.521827 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1366) -1 6.921714 -7.455881 -11.158727 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1366) -1 6.550591 -7.036462 -10.347853 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1366) -1 7.634961 -7.993210 -10.750208 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1367) -1 -7.441100 -17.494333 14.899141 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1367) -1 -7.320214 -17.021165 14.032927 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1367) -1 -6.804557 -18.230459 14.748786 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1368) -1 -6.678439 22.894458 -4.945221 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1368) -1 -5.822203 22.979374 -4.493396 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1368) -1 -7.041918 22.103716 -4.470217 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1369) -1 -26.463443 -24.423703 -1.940533 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1369) -1 -25.728688 -23.923644 -2.383285 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1369) -1 -27.212437 -24.120337 -2.511099 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1370) -1 12.049746 8.176673 9.731008 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1370) -1 12.591211 7.891834 10.505273 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1370) -1 11.659715 7.303286 9.481923 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1371) -1 -15.819974 13.620977 0.074448 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1371) -1 -14.944599 13.262086 -0.255156 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1371) -1 -16.336793 12.775406 -0.010933 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1372) -1 -6.601054 4.138786 15.930823 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1372) -1 -5.808017 3.577913 16.082656 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1372) -1 -6.942844 4.196651 16.851697 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1373) -1 21.330551 -9.021598 16.306361 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1373) -1 20.475578 -8.903297 15.828119 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1373) -1 21.039125 -8.936108 17.222590 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1374) -1 -17.831397 12.375334 -5.620645 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1374) -1 -18.027847 11.836375 -6.418548 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1374) -1 -16.864483 12.206528 -5.536358 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1375) -1 28.877869 -9.603701 -1.453412 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1375) -1 29.236560 -10.060879 -2.250646 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1375) -1 28.110626 -10.209427 -1.271612 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1376) -1 -10.378386 -21.651927 7.119778 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1376) -1 -9.545001 -21.121475 7.139847 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1376) -1 -10.707768 -21.432154 8.029387 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1377) -1 31.690928 2.959159 -1.792905 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1377) -1 30.905872 2.778232 -2.374291 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1377) -1 32.096443 3.687616 -2.325208 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1378) -1 -12.081797 20.803079 8.871029 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1378) -1 -13.051926 20.907853 8.758878 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1378) -1 -12.074734 20.359032 9.757900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1379) -1 -2.032524 9.652366 -5.560047 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1379) -1 -1.177343 9.257147 -5.279734 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1379) -1 -2.382273 8.930067 -6.122367 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1380) -1 -26.973038 -4.458079 -2.618901 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1380) -1 -26.301638 -5.007837 -3.081060 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1380) -1 -26.411252 -4.061855 -1.918264 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1381) -1 -24.317221 -6.087874 19.684623 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1381) -1 -23.402380 -5.942825 19.948088 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1381) -1 -24.219596 -6.182975 18.708607 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1382) -1 -9.918203 17.121676 -9.540945 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1382) -1 -9.033549 16.724099 -9.460033 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1382) -1 -10.063411 17.394472 -8.596542 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1383) -1 -3.985161 -16.994617 -9.774271 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1383) -1 -3.134865 -16.600293 -10.062242 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1383) -1 -3.795365 -17.156621 -8.827510 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1384) -1 18.871448 7.636359 13.392696 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1384) -1 19.361282 8.481213 13.284378 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1384) -1 18.021008 7.956471 13.727272 L 1 944 1.0 2 1.0 3 1.0 4 1.0 2 3 4 5 1.0 6 1.0 7 1.0 5 6 7 8 1.0 9 1.0 8 9 10 1013 1.0 11 1.0 1015 1.0 12 1.0 11 12 13 1.0 14 1.0 13 14 15 1.0 16 1.0 15 16 17 1.0 18 1.0 22 1.0 17 18 19 1.0 20 1.0 21 1.0 19 20 21 22 23 1.0 24 1.0 23 24 25 1.0 26 1.0 25 26 27 1.0 28 1.0 29 1.0 27 28 29 30 1.0 31 1.0 30 31 32 1.0 33 1.0 32 33 34 1.0 35 1.0 46 1.0 34 35 36 1.0 37 1.0 38 1.0 36 37 38 39 1.0 44 1.0 39 40 1.0 41 1.0 40 41 42 1.0 43 1.0 42 43 44 1.0 44 45 1.0 45 46 47 1.0 48 1.0 47 48 49 1.0 50 1.0 49 50 51 1.0 52 1.0 151 1.0 51 52 53 1.0 54 1.0 55 1.0 53 54 55 56 1.0 56 57 1981 1.0 58 1.0 59 1.0 60 1.0 58 59 60 61 1.0 62 1.0 61 62 63 1.0 66 1.0 63 64 1.0 65 1.0 64 65 66 67 1.0 68 1.0 67 68 69 70 1.0 73 1.0 77 1.0 78 1.0 70 71 1.0 72 1.0 71 72 73 74 1.0 75 1.0 76 1.0 74 75 76 77 78 79 1.0 80 1.0 81 1.0 79 80 81 82 1.0 83 1.0 84 1.0 82 83 84 85 1.0 123 1.0 85 86 1.0 122 1.0 86 87 1.0 111 1.0 121 1.0 87 88 1.0 109 1.0 110 1.0 88 89 1.0 89 90 1.0 90 91 1.0 107 1.0 108 1.0 91 92 1.0 99 1.0 106 1.0 92 93 1.0 98 1.0 93 94 1.0 97 1.0 94 3780 1.0 95 1.0 96 1.0 95 96 97 98 99 100 1.0 105 1.0 100 101 1.0 104 1.0 101 3783 1.0 102 1.0 103 1.0 102 103 104 105 106 107 108 109 110 111 112 1.0 113 1.0 112 113 114 1.0 120 1.0 114 115 1.0 118 1.0 119 1.0 115 116 1.0 117 1.0 116 117 118 119 120 121 122 123 124 125 1.0 126 1.0 125 126 1.0 126 127 128 1.0 129 1.0 128 129 1.0 129 130 131 1.0 132 1.0 131 132 1.0 132 133 134 1.0 135 1.0 134 135 1.0 135 136 137 1.0 138 1.0 137 138 1.0 138 139 140 1.0 141 1.0 140 141 1.0 141 142 143 1.0 144 1.0 143 144 1.0 144 145 146 1.0 147 1.0 146 147 1.0 147 148 149 1.0 150 1.0 149 150 1.0 150 151 152 1.0 153 1.0 152 153 154 1.0 1033 1.0 154 155 1401 1.0 156 1.0 157 1.0 158 1.0 156 157 158 159 1.0 160 1.0 161 1.0 159 160 161 162 1.0 163 1.0 164 1.0 162 163 164 165 166 1.0 167 1.0 166 167 1.0 167 168 169 1.0 170 1.0 169 170 1.0 170 171 172 1.0 173 1.0 172 173 1.0 173 174 175 1.0 176 1.0 175 176 1.0 176 177 178 1.0 179 1.0 178 179 1.0 179 180 181 1.0 182 1.0 181 182 1.0 182 183 184 1.0 185 1.0 184 185 1.0 185 186 187 1.0 188 1.0 187 188 1.0 188 189 190 1.0 191 1.0 190 191 1.0 191 192 193 1.0 194 1.0 193 194 1.0 194 195 196 1.0 197 1.0 196 197 1.0 197 198 199 1.0 200 1.0 199 200 1.0 200 201 202 1.0 203 1.0 202 203 1.0 203 204 205 1.0 206 1.0 207 1.0 208 1.0 205 206 207 208 209 1.0 210 1.0 221 1.0 209 210 211 1.0 212 1.0 213 1.0 211 212 213 214 1.0 215 1.0 216 1.0 214 215 216 217 1.0 217 218 1.0 219 1.0 220 1.0 218 219 220 221 222 1.0 223 1.0 222 223 224 1.0 225 1.0 224 225 226 1.0 227 1.0 240 1.0 226 227 228 1.0 229 1.0 230 1.0 228 229 230 231 1.0 232 1.0 236 1.0 231 232 233 1.0 234 1.0 235 1.0 233 234 235 236 237 1.0 238 1.0 239 1.0 237 238 239 240 241 1.0 242 1.0 241 242 243 1.0 244 1.0 243 244 245 1.0 246 1.0 264 1.0 245 246 247 1.0 248 1.0 249 1.0 247 248 249 250 1.0 251 1.0 252 1.0 250 251 252 253 1.0 254 1.0 255 1.0 253 254 255 256 1.0 257 1.0 256 257 258 1.0 261 1.0 258 259 1.0 260 1.0 259 260 261 262 1.0 263 1.0 262 263 264 265 1.0 266 1.0 265 266 267 1.0 268 1.0 267 268 269 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6560 1.0 6560 6561 6562 1.0 6563 1.0 6562 6563 1.0 6563 6564 6565 1.0 6566 1.0 6565 6566 1.0 6566 6567 6568 1.0 6569 1.0 6568 6569 1.0 6569 6570 6571 1.0 6572 1.0 6571 6572 1.0 6572 6573 6574 1.0 6575 1.0 6574 6575 1.0 6575 6576 6577 1.0 6578 1.0 6577 6578 1.0 6578 6579 6580 1.0 6581 1.0 6580 6581 1.0 6581 6582 6583 1.0 6584 1.0 6583 6584 1.0 6584 6585 6586 1.0 6587 1.0 6586 6587 1.0 6587 6588 6589 1.0 6590 1.0 6589 6590 1.0 6590 6591 6592 1.0 6593 1.0 6592 6593 1.0 6593 6594 6595 1.0 6596 1.0 6595 6596 1.0 6596 6597 6598 1.0 6599 1.0 6598 6599 1.0 6599 6600 6601 1.0 6602 1.0 6601 6602 1.0 6602 6603 6604 1.0 6605 1.0 6604 6605 1.0 6605 6606 6607 1.0 6608 1.0 6607 6608 1.0 6608 6609 6610 1.0 6611 1.0 6610 6611 1.0 6611 6612 6613 1.0 6614 1.0 6613 6614 1.0 6614 6615 6616 1.0 6617 1.0 6616 6617 1.0 6617 6618 6619 1.0 6620 1.0 6619 6620 1.0 6620 6621 6622 1.0 6623 1.0 6622 6623 1.0 6623 6624 6625 1.0 6626 1.0 6625 6626 1.0 6626 6627 6628 1.0 6629 1.0 6628 6629 1.0 6629 6630 6631 1.0 6632 1.0 6631 6632 1.0 6632 6633 6634 1.0 6635 1.0 6634 6635 1.0 6635 6636 6637 1.0 6638 1.0 6637 6638 1.0 6638 6639 6640 1.0 6641 1.0 6640 6641 1.0 6641 6642 6643 1.0 6644 1.0 6643 6644 1.0 6644 6645 6646 1.0 6647 1.0 6646 6647 1.0 6647 6648 6649 1.0 6650 1.0 6649 6650 1.0 6650 6651 6652 1.0 6653 1.0 6652 6653 1.0 6653 6654 6655 1.0 6656 1.0 6655 6656 1.0 6656 6657 6658 1.0 6659 1.0 6658 6659 1.0 6659 6660 6661 1.0 6662 1.0 6661 6662 1.0 6662 6663 6664 1.0 6665 1.0 6664 6665 1.0 6665 6666 6667 1.0 6668 1.0 6667 6668 1.0 6668 6669 6670 1.0 6671 1.0 6670 6671 1.0 6671 6672 6673 1.0 6674 1.0 6673 6674 1.0 6674 6675 6676 1.0 6677 1.0 6676 6677 1.0 6677 6678 6679 1.0 6680 1.0 6679 6680 1.0 6680 6681 6682 1.0 6683 1.0 6682 6683 1.0 6683 6684 6685 1.0 6686 1.0 6685 6686 1.0 6686 6687 6688 1.0 6689 1.0 6688 6689 1.0 6689 6690 6691 1.0 6692 1.0 6691 6692 1.0 6692 6693 6694 1.0 6695 1.0 6694 6695 1.0 6695 6696 6697 1.0 6698 1.0 6697 6698 1.0 6698 6699 6700 1.0 6701 1.0 6700 6701 1.0 6701 6702 6703 1.0 6704 1.0 6703 6704 1.0 6704 6705 6706 1.0 6707 1.0 6706 6707 1.0 6707 6708 6709 1.0 6710 1.0 6709 6710 1.0 6710 6711 6712 1.0 6713 1.0 6712 6713 1.0 6713 6714 6715 1.0 6716 1.0 6715 6716 1.0 6716 6717 6718 1.0 6719 1.0 6718 6719 1.0 6719 6720 6721 1.0 6722 1.0 6721 6722 1.0 6722 6723 6724 1.0 6725 1.0 6724 6725 1.0 6725 6726 6727 1.0 6728 1.0 6727 6728 1.0 6728 6729 6730 1.0 6731 1.0 6730 6731 1.0 6731 6732 6733 1.0 6734 1.0 6733 6734 1.0 6734 6735 6736 1.0 6737 1.0 6736 6737 1.0 6737 6738 6739 1.0 6740 1.0 6739 6740 1.0 6740 6741 6742 1.0 6743 1.0 6742 6743 1.0 6743 6744 6745 1.0 6746 1.0 6745 6746 1.0 6746 6747 6748 1.0 6749 1.0 6748 6749 1.0 6749 6750 6751 1.0 6752 1.0 6751 6752 1.0 6752 6753 6754 1.0 6755 1.0 6754 6755 1.0 6755 6756 6757 1.0 6758 1.0 6757 6758 1.0 6758 6759 6760 1.0 6761 1.0 6760 6761 1.0 6761 6762 6763 1.0 6764 1.0 6763 6764 1.0 6764 6765 6766 1.0 6767 1.0 6766 6767 1.0 6767 6768 6769 1.0 6770 1.0 6769 6770 1.0 6770 6771 6772 1.0 6773 1.0 6772 6773 1.0 6773 6774 6775 1.0 6776 1.0 6775 6776 1.0 6776 6777 6778 1.0 6779 1.0 6778 6779 1.0 6779 6780 6781 1.0 6782 1.0 6781 6782 1.0 6782 6783 6784 1.0 6785 1.0 6784 6785 1.0 6785 6786 6787 1.0 6788 1.0 6787 6788 1.0 6788 6789 6790 1.0 6791 1.0 6790 6791 1.0 6791 6792 6793 1.0 6794 1.0 6793 6794 1.0 6794 6795 6796 1.0 6797 1.0 6796 6797 1.0 6797 6798 6799 1.0 6800 1.0 6799 6800 1.0 6800 6801 6802 1.0 6803 1.0 6802 6803 1.0 6803 6804 6805 1.0 6806 1.0 6805 6806 1.0 6806 6807 6808 1.0 6809 1.0 6808 6809 1.0 6809 6810 6811 1.0 6812 1.0 6811 6812 1.0 6812 6813 6814 1.0 6815 1.0 6814 6815 1.0 6815 6816 6817 1.0 6818 1.0 6817 6818 1.0 6818 6819 6820 1.0 6821 1.0 6820 6821 1.0 6821 6822 6823 1.0 6824 1.0 6823 6824 1.0 6824 6825 6826 1.0 6827 1.0 6826 6827 1.0 6827 6828 6829 1.0 6830 1.0 6829 6830 1.0 6830 6831 6832 1.0 6833 1.0 6832 6833 1.0 6833 6834 6835 1.0 6836 1.0 6835 6836 1.0 6836 6837 6838 1.0 6839 1.0 6838 6839 1.0 6839 6840 6841 1.0 6842 1.0 6841 6842 1.0 6842 6843 6844 1.0 6845 1.0 6844 6845 1.0 6845 6846 6847 1.0 6848 1.0 6847 6848 1.0 6848 6849 6850 1.0 6851 1.0 6850 6851 1.0 6851 6852 6853 1.0 6854 1.0 6853 6854 1.0 6854 6855 6856 1.0 6857 1.0 6856 6857 1.0 6857 6858 6859 1.0 6860 1.0 6859 6860 1.0 6860 6861 6862 1.0 6863 1.0 6862 6863 1.0 6863 6864 6865 1.0 6866 1.0 6865 6866 1.0 6866 6867 6868 1.0 6869 1.0 6868 6869 1.0 6869 6870 6871 1.0 6872 1.0 6871 6872 1.0 6872 6873 6874 1.0 6875 1.0 6874 6875 1.0 6875 6876 6877 1.0 6878 1.0 6877 6878 1.0 6878 6879 6880 1.0 6881 1.0 6880 6881 1.0 6881 6882 6883 1.0 6884 1.0 6883 6884 1.0 6884 6885 6886 1.0 6887 1.0 6886 6887 1.0 6887 6888 6889 1.0 6890 1.0 6889 6890 1.0 6890 6891 6892 1.0 6893 1.0 6892 6893 1.0 6893 6894 6895 1.0 6896 1.0 6895 6896 1.0 6896 6897 6898 1.0 6899 1.0 6898 6899 1.0 6899 6900 6901 1.0 6902 1.0 6901 6902 1.0 6902 6903 6904 1.0 6905 1.0 6904 6905 1.0 6905 6906 6907 1.0 6908 1.0 6907 6908 1.0 6908 6909 6910 1.0 6911 1.0 6910 6911 1.0 6911 6912 6913 1.0 6914 1.0 6913 6914 1.0 6914 6915 6916 1.0 6917 1.0 6916 6917 1.0 6917 6918 6919 1.0 6920 1.0 6919 6920 1.0 6920 6921 6922 1.0 6923 1.0 6922 6923 1.0 6923 6924 6925 1.0 6926 1.0 6925 6926 1.0 6926 6927 6928 1.0 6929 1.0 6928 6929 1.0 6929 6930 6931 1.0 6932 1.0 6931 6932 1.0 6932 6933 6934 1.0 6935 1.0 6934 6935 1.0 6935 6936 6937 1.0 6938 1.0 6937 6938 1.0 6938 6939 6940 1.0 6941 1.0 6940 6941 1.0 6941 6942 6943 1.0 6944 1.0 6943 6944 1.0 6944 6945 6946 1.0 6947 1.0 6946 6947 1.0 6947 6948 6949 1.0 6950 1.0 6949 6950 1.0 6950 6951 6952 1.0 6953 1.0 6952 6953 1.0 6953 6954 6955 1.0 6956 1.0 6955 6956 1.0 6956 6957 6958 1.0 6959 1.0 6958 6959 1.0 6959 6960 6961 1.0 6962 1.0 6961 6962 1.0 6962 6963 6964 1.0 6965 1.0 6964 6965 1.0 6965 6966 6967 1.0 6968 1.0 6967 6968 1.0 6968 6969 6970 1.0 6971 1.0 6970 6971 1.0 6971 6972 6973 1.0 6974 1.0 6973 6974 1.0 6974 6975 6976 1.0 6977 1.0 6976 6977 1.0 6977 6978 6979 1.0 6980 1.0 6979 6980 1.0 6980 6981 6982 1.0 6983 1.0 6982 6983 1.0 6983 6984 6985 1.0 6986 1.0 6985 6986 1.0 6986 6987 6988 1.0 6989 1.0 6988 6989 1.0 6989 6990 6991 1.0 6992 1.0 6991 6992 1.0 6992 6993 6994 1.0 6995 1.0 6994 6995 1.0 6995 6996 6997 1.0 6998 1.0 6997 6998 1.0 6998 6999 7000 1.0 7001 1.0 7000 7001 1.0 7001 7002 7003 1.0 7004 1.0 7003 7004 1.0 7004 7005 7006 1.0 7007 1.0 7006 7007 1.0 7007 7008 7009 1.0 7010 1.0 7009 7010 1.0 7010 7011 7012 1.0 7013 1.0 7012 7013 1.0 7013 7014 7015 1.0 7016 1.0 7015 7016 1.0 7016 7017 7018 1.0 7019 1.0 7018 7019 1.0 7019 7020 7021 1.0 7022 1.0 7021 7022 1.0 7022 7023 7024 1.0 7025 1.0 7024 7025 1.0 7025 7026 7027 1.0 7028 1.0 7027 7028 1.0 7028 7029 7030 1.0 7031 1.0 7030 7031 1.0 7031 7032 7033 1.0 7034 1.0 7033 7034 1.0 7034 7035 7036 1.0 7037 1.0 7036 7037 1.0 7037 7038 7039 1.0 7040 1.0 7039 7040 1.0 7040 7041 7042 1.0 7043 1.0 7042 7043 1.0 7043 7044 7045 1.0 7046 1.0 7045 7046 1.0 7046 7047 7048 1.0 7049 1.0 7048 7049 1.0 7049 7050 7051 1.0 7052 1.0 7051 7052 1.0 7052 7053 7054 1.0 7055 1.0 7054 7055 1.0 7055 7056 7057 1.0 7058 1.0 7057 7058 1.0 7058 7059 7060 1.0 7061 1.0 7060 7061 1.0 7061 7062 7063 1.0 7064 1.0 7063 7064 1.0 7064 7065 7066 1.0 7067 1.0 7066 7067 1.0 7067 7068 7069 1.0 7070 1.0 7069 7070 1.0 7070 7071 7072 1.0 7073 1.0 7072 7073 1.0 7073 7074 7075 1.0 7076 1.0 7075 7076 1.0 7076 7077 7078 1.0 7079 1.0 7078 7079 1.0 7079 7080 7081 1.0 7082 1.0 7081 7082 1.0 7082 7083 7084 1.0 7085 1.0 7084 7085 1.0 7085 7086 7087 1.0 7088 1.0 7087 7088 1.0 7088 7089 7090 1.0 7091 1.0 7090 7091 1.0 7091 7092 7093 1.0 7094 1.0 7093 7094 1.0 7094 7095 7096 1.0 7097 1.0 7096 7097 1.0 7097 7098 7099 1.0 7100 1.0 7099 7100 1.0 7100 7101 7102 1.0 7103 1.0 7102 7103 1.0 7103 7104 7105 1.0 7106 1.0 7105 7106 1.0 7106 7107 7108 1.0 7109 1.0 7108 7109 1.0 7109 7110 7111 1.0 7112 1.0 7111 7112 1.0 7112 7113 7114 1.0 7115 1.0 7114 7115 1.0 7115 7116 7117 1.0 7118 1.0 7117 7118 1.0 7118 7119 7120 1.0 7121 1.0 7120 7121 1.0 7121 7122 7123 1.0 7124 1.0 7123 7124 1.0 7124 7125 7126 1.0 7127 1.0 7126 7127 1.0 7127 7128 7129 1.0 7130 1.0 7129 7130 1.0 7130 7131 7132 1.0 7133 1.0 7132 7133 1.0 7133 7134 7135 1.0 7136 1.0 7135 7136 1.0 7136 7137 7138 1.0 7139 1.0 7138 7139 1.0 7139 7140 7141 1.0 7142 1.0 7141 7142 1.0 7142 7143 7144 1.0 7145 1.0 7144 7145 1.0 7145 7146 7147 1.0 7148 1.0 7147 7148 1.0 7148 7149 7150 1.0 7151 1.0 7150 7151 1.0 7151 7152 7153 1.0 7154 1.0 7153 7154 1.0 7154 7155 7156 1.0 7157 1.0 7156 7157 1.0 7157 7158 7159 1.0 7160 1.0 7159 7160 1.0 7160 7161 7162 1.0 7163 1.0 7162 7163 1.0 7163 7164 7165 1.0 7166 1.0 7165 7166 1.0 7166 VDW C* 1.9080 0.0860 VDW H5 1.3590 0.0150 VDW H4 1.4090 0.0150 VDW HA 1.4590 0.0150 VDW H1 1.3870 0.0157 VDW N3 1.8240 0.1700 VDW N2 1.8240 0.1700 VDW O2 1.6612 0.2100 VDW CN 1.9080 0.0860 VDW NA 1.8240 0.1700 VDW NB 1.8240 0.1700 VDW HS 0.6000 0.0157 VDW HP 1.1000 0.0157 VDW CB 1.9080 0.0860 VDW CC 1.9080 0.0860 VDW OW 1.7683 0.1520 VDW CA 1.9080 0.0860 VDW S 2.0000 0.2500 VDW OH 1.7210 0.2104 VDW CW 1.9080 0.0860 VDW N 1.8240 0.1700 VDW O 1.6612 0.2100 VDW SH 2.0000 0.2500 VDW HC 1.4870 0.0157 VDW H 0.6000 0.0157 VDW CR 1.9080 0.0860 VDW CV 1.9080 0.0860 VDW C 1.9080 0.0860 VDW CT 1.9080 0.1094 HrmStr1 CT H1 340.00 1.0900 HrmStr1 CT HC 340.00 1.0900 HrmStr1 CT HP 340.00 1.0900 HrmStr1 N3 H 434.00 1.0100 HrmStr1 N H 434.00 1.0100 HrmStr1 N2 H 434.00 1.0100 HrmStr1 SH HS 274.00 1.3360 HrmStr1 CV H4 367.00 1.0800 HrmStr1 CR H5 367.00 1.0800 HrmStr1 NA H 434.00 1.0100 HrmStr1 OH HO 553.00 0.9600 HrmStr1 CA HA 367.00 1.0800 HrmStr1 CW H4 367.00 1.0800 HrmStr1 HW HW 553.00 1.5136 HrmStr1 OW HW 553.00 0.9572 HrmStr1 C O 570.00 1.2290 HrmStr1 C N 490.00 1.3350 HrmStr1 S CT 227.00 1.8100 HrmStr1 CT CT 310.00 1.5260 HrmStr1 CT C 317.00 1.5220 HrmStr1 N3 CT 367.00 1.4710 HrmStr1 N CT 337.00 1.4490 HrmStr1 CA N2 481.00 1.3400 HrmStr1 CT N2 337.00 1.4630 HrmStr1 CT SH 237.00 1.8100 HrmStr1 C O2 656.00 1.2500 HrmStr1 NB CV 410.00 1.3940 HrmStr1 CR NB 488.00 1.3350 HrmStr1 NA CR 477.00 1.3430 HrmStr1 CC NA 422.00 1.3850 HrmStr1 CC CV 512.00 1.3750 HrmStr1 CT CC 317.00 1.5040 HrmStr1 CT OH 320.00 1.4100 HrmStr1 CA CA 469.00 1.4000 HrmStr1 CT CA 317.00 1.5100 HrmStr1 C OH 450.00 1.3640 HrmStr1 C CA 469.00 1.4090 HrmStr1 CA CB 469.00 1.4040 HrmStr1 CN CA 469.00 1.4000 HrmStr1 CN CB 447.00 1.4190 HrmStr1 NA CN 428.00 1.3800 HrmStr1 CW NA 427.00 1.3810 HrmStr1 C* CW 546.00 1.3520 HrmStr1 C* CB 388.00 1.4590 HrmStr1 CT C* 317.00 1.4950 HrmStr1 S S 166.00 2.0380 HrmBnd1 HW HW OW 0.00 0.00 HrmBnd1 HW OW HW 0.00 0.00 HrmBnd1 H1 CT HC 35.00 109.5000 #mimick H1-CT-HC HrmBnd1 C N H 50.00 120.0001 HrmBnd1 H1 CT H1 35.00 109.5000 HrmBnd1 S CT H1 50.00 109.5000 HrmBnd1 HC CT CT 50.00 109.5000 HrmBnd1 HC CT HC 35.00 109.5000 HrmBnd1 CT CT H1 50.00 109.5000 HrmBnd1 HP CT CT 50.00 109.5000 HrmBnd1 HP CT C 50.00 109.5000 HrmBnd1 H N3 CT 50.00 109.5000 HrmBnd1 H N3 H 35.00 109.5000 HrmBnd1 N3 CT HP 50.00 109.5000 HrmBnd1 H1 CT C 50.00 109.5000 HrmBnd1 H N CT 50.00 118.0401 HrmBnd1 N CT H1 50.00 109.5000 HrmBnd1 H N2 H 35.00 120.0001 HrmBnd1 CA N2 H 50.00 120.0001 HrmBnd1 H1 CT N2 50.00 109.5000 HrmBnd1 CT N2 H 50.00 118.4001 HrmBnd1 H1 CT SH 50.00 109.5000 HrmBnd1 CT SH HS 43.00 96.0000 HrmBnd1 HC CT C 50.00 109.5000 HrmBnd1 NB CV H4 50.00 120.0001 HrmBnd1 H5 CR NB 50.00 120.0001 HrmBnd1 H NA CR 50.00 120.0001 HrmBnd1 NA CR H5 50.00 120.0001 HrmBnd1 CC NA H 50.00 120.0001 HrmBnd1 CC CV H4 50.00 120.0001 HrmBnd1 HC CT CC 50.00 109.5000 HrmBnd1 HP CT HP 35.00 109.5000 HrmBnd1 H1 CT OH 50.00 109.5000 HrmBnd1 CT OH HO 55.00 108.5000 HrmBnd1 H N H 35.00 120.0001 HrmBnd1 HA CA CA 50.00 120.0001 HrmBnd1 HC CT CA 50.00 109.5000 HrmBnd1 C OH HO 50.00 113.0000 HrmBnd1 C CA HA 50.00 120.0001 HrmBnd1 HA CA CB 50.00 120.0001 HrmBnd1 CN CA HA 50.00 120.0001 HrmBnd1 H NA CN 50.00 123.1001 HrmBnd1 H4 CW NA 50.00 120.0001 HrmBnd1 CW NA H 50.00 120.0001 HrmBnd1 C* CW H4 50.00 120.0001 HrmBnd1 HC CT C* 50.00 109.5000 HrmBnd1 O C N 80.00 122.9001 HrmBnd1 C N CT 50.00 121.9001 HrmBnd1 CT S CT 62.00 98.9000 HrmBnd1 CT CT C 63.00 111.1000 HrmBnd1 CT CT S 50.00 114.7000 HrmBnd1 CT CT CT 40.00 109.5000 HrmBnd1 CT C O 80.00 120.4001 HrmBnd1 CT C N 70.00 116.6000 HrmBnd1 N3 CT CT 80.00 111.2000 HrmBnd1 N3 CT C 80.00 111.2000 HrmBnd1 N CT CT 80.00 109.7000 HrmBnd1 N CT C 63.00 110.1000 HrmBnd1 N2 CA N2 70.00 120.0001 HrmBnd1 CT N2 CA 50.00 123.2001 HrmBnd1 CT CT N2 80.00 111.2000 HrmBnd1 CT CT SH 50.00 108.6000 HrmBnd1 O2 C O2 80.00 126.0001 HrmBnd1 CT C O2 70.00 117.0001 HrmBnd1 CT N CT 50.00 118.0001 HrmBnd1 CR NB CV 70.00 117.0001 HrmBnd1 NA CC CV 70.00 120.0001 HrmBnd1 NA CR NB 70.00 120.0001 HrmBnd1 CC NA CR 70.00 120.0001 HrmBnd1 CC CV NB 70.00 120.0001 HrmBnd1 CT CC NA 70.00 120.0001 HrmBnd1 CT CC CV 70.00 120.0001 HrmBnd1 CT CT CC 63.00 113.1000 HrmBnd1 CT CT OH 50.00 109.5000 HrmBnd1 CA CA CA 63.00 120.0001 HrmBnd1 CT CA CA 70.00 120.0001 HrmBnd1 CT CT CA 63.00 114.0000 HrmBnd1 OH C CA 70.00 120.0001 HrmBnd1 C CA CA 63.00 120.0001 HrmBnd1 CA C CA 63.00 120.0001 HrmBnd1 CA CA CB 63.00 120.0001 HrmBnd1 CA CN CB 63.00 122.7001 HrmBnd1 CN CA CA 63.00 120.0001 HrmBnd1 CN CB CA 63.00 116.2000 HrmBnd1 NA CN CA 70.00 132.8001 HrmBnd1 NA CN CB 70.00 104.4000 HrmBnd1 CW C* CB 63.00 106.4000 HrmBnd1 CW NA CN 70.00 111.6000 HrmBnd1 C* CW NA 70.00 108.7000 HrmBnd1 C* CB CN 63.00 108.8000 HrmBnd1 C* CB CA 63.00 134.9001 HrmBnd1 CT C* CW 70.00 125.0001 HrmBnd1 CT C* CB 70.00 128.6001 HrmBnd1 CT CT C* 63.00 115.6000 HrmBnd1 S S CT 68.00 103.7000 AmbTrs CT CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs O2 C CT CT 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs O2 C CT N3 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N3 CT CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT C O 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT C N 0 0 0 0 0.200 0.200 0.400 0.000 1.0 AmbTrs CT C N CT 0 180 0 0 0.000 2.500 0.000 0.000 1.0 AmbTrs C N CT C 0 0 0 0 0.000 0.270 0.420 0.000 1.0 AmbTrs C N CT CT 0 0 0 0 2.000 2.000 0.400 0.000 1.0 AmbTrs N CT C N 180 180 180 0 0.450 1.580 0.550 0.000 1.0 AmbTrs N CT C O 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N CT CT S 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT S S 0 0 0 0 0.000 0.000 0.333 0.000 1.0 AmbTrs CT N C O 0 180 0 0 0.000 2.500 0.000 0.000 1.0 AmbTrs CT S S CT 0 0 0 0 0.000 3.500 0.600 0.000 1.0 AmbTrs S CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N CT C O2 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N CT CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT CT CT 180 180 0 0 0.200 0.250 0.180 0.000 1.0 AmbTrs CT N CT C 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT N CT CT 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs C CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N CT CT CC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT CC CV 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT CC NA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CC CV NB 0 180 0 0 0.000 5.150 0.000 0.000 1.0 AmbTrs CT CC NA CR 0 180 0 0 0.000 1.400 0.000 0.000 1.0 AmbTrs CC CV NB CR 0 180 0 0 0.000 2.400 0.000 0.000 1.0 AmbTrs CC NA CR NB 0 180 0 0 0.000 2.325 0.000 0.000 1.0 AmbTrs CC CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs NA CR NB CV 0 180 0 0 0.000 5.000 0.000 0.000 1.0 AmbTrs NA CC CV NB 0 180 0 0 0.000 5.150 0.000 0.000 1.0 AmbTrs CR NA CC CV 0 180 0 0 0.000 1.400 0.000 0.000 1.0 AmbTrs N CT CT CA 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT CA CA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CA CA CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CA CA CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N CT CT OH 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs OH CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT CT N2 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT N2 CA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT N2 CA N2 0 180 0 0 0.000 2.400 0.000 0.000 1.0 AmbTrs CA CA CA C 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CA C CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CA C OH 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs N CT CT C* 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT C* CB 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT C* CW 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT C* CB CA 0 180 0 0 0.000 1.675 0.000 0.000 1.0 AmbTrs CT C* CB CN 0 180 0 0 0.000 1.675 0.000 0.000 1.0 AmbTrs CT C* CW NA 0 180 0 0 0.000 6.525 0.000 0.000 1.0 AmbTrs C* CB CA CA 0 180 0 0 0.000 3.500 0.000 0.000 1.0 AmbTrs C* CB CN CA 0 180 0 0 0.000 3.000 0.000 0.000 1.0 AmbTrs C* CB CN NA 0 180 0 0 0.000 3.000 0.000 0.000 1.0 AmbTrs C* CW NA CN 0 180 0 0 0.000 1.500 0.000 0.000 1.0 AmbTrs C* CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CW NA CN CB 0 180 0 0 0.000 1.525 0.000 0.000 1.0 AmbTrs CW NA CN CA 0 180 0 0 0.000 1.525 0.000 0.000 1.0 AmbTrs CW C* CB CA 0 180 0 0 0.000 1.675 0.000 0.000 1.0 AmbTrs CW C* CB CN 0 180 0 0 0.000 1.675 0.000 0.000 1.0 AmbTrs NA CN CB CA 0 180 0 0 0.000 3.000 0.000 0.000 1.0 AmbTrs NA CN CA CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs NA CW C* CB 0 180 0 0 0.000 6.525 0.000 0.000 1.0 AmbTrs CN CB CA CA 0 180 0 0 0.000 3.500 0.000 0.000 1.0 AmbTrs CN CA CA CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CN CB CA 0 180 0 0 0.000 3.000 0.000 0.000 1.0 AmbTrs CA CA CA CB 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CA CN CB 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs N CT CT SH 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs SH CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N3 CT C N 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N3 CT C O 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT CT S 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT S CT 0 0 0 0 0.000 0.000 0.333 0.000 1.0 AmbTrs CT CT CT HC 0 0 0 0 0.000 0.000 0.160 0.000 1.0 AmbTrs C CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs C CT N3 H 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs O2 C CT HP 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N3 CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H N3 CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H N3 CT HP 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs HP CT CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs HP CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs HC CT CT HC 0 0 0 0 0.000 0.000 0.150 0.000 1.0 AmbTrs CT C N H 0 180 0 0 0.000 2.500 0.000 0.000 1.0 AmbTrs HC CT C O 0 0 180 0 0.800 0.000 0.080 0.000 1.0 AmbTrs HC CT C N 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs C N CT H1 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N CT CT H1 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT N H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs S S CT H1 0 0 0 0 0.000 0.000 0.333 0.000 1.0 AmbTrs S CT CT H1 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs C CT N H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs C CT CT H1 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N C CT H1 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs O2 C CT H1 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs H1 CT N H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs H N C O 0 180 0 0 2.000 2.500 0.000 0.000 1.0 AmbTrs O C CT H1 0 0 180 0 0.800 0.000 0.080 0.000 1.0 AmbTrs H1 CT CT H1 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H1 CT CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H1 CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT N CT H1 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs H1 CT CT CC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CC CV H4 0 180 0 0 0.000 5.150 0.000 0.000 1.0 AmbTrs CT CC NA H 0 180 0 0 0.000 1.400 0.000 0.000 1.0 AmbTrs HC CT CC CV 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HC CT CC NA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CC NA CR H5 0 180 0 0 0.000 2.325 0.000 0.000 1.0 AmbTrs NA CC CV H4 0 180 0 0 0.000 5.150 0.000 0.000 1.0 AmbTrs H NA CR NB 0 180 0 0 0.000 2.325 0.000 0.000 1.0 AmbTrs H NA CR H5 0 180 0 0 0.000 2.325 0.000 0.000 1.0 AmbTrs H NA CC CV 0 180 0 0 0.000 1.400 0.000 0.000 1.0 AmbTrs CR NB CV H4 0 180 0 0 0.000 2.400 0.000 0.000 1.0 AmbTrs H5 CR NB CV 0 180 0 0 0.000 5.000 0.000 0.000 1.0 AmbTrs H1 CT CT CA 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CA CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HC CT CA CA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CA CA CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HA CA CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HC CT C O2 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT OH HO 0 0 0 0 0.250 0.000 0.160 0.000 1.0 AmbTrs H1 CT CT OH 0 0 0 0 0.250 0.000 0.000 0.000 1.0 AmbTrs H1 CT OH HO 0 0 0 0 0.000 0.000 0.167 0.000 1.0 AmbTrs HC CT CT OH 0 0 0 0 0.250 0.000 0.000 0.000 1.0 AmbTrs CT CT N2 H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HC CT CT N2 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H1 CT N2 CA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs H1 CT N2 H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N2 CA N2 H 0 180 0 0 0.000 2.400 0.000 0.000 1.0 AmbTrs HA CA CA C 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA C CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA C OH HO 0 180 0 0 0.000 2.300 0.000 0.000 1.0 AmbTrs HA CA C OH 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs H1 CT CT C* 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT C* CW H4 0 180 0 0 0.000 6.525 0.000 0.000 1.0 AmbTrs HC CT C* CB 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HC CT C* CW 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs C* CB CA HA 0 180 0 0 0.000 3.500 0.000 0.000 1.0 AmbTrs C* CW NA H 0 180 0 0 0.000 1.500 0.000 0.000 1.0 AmbTrs H4 CW NA CN 0 180 0 0 0.000 1.500 0.000 0.000 1.0 AmbTrs H4 CW NA H 0 180 0 0 0.000 1.500 0.000 0.000 1.0 AmbTrs H4 CW C* CB 0 180 0 0 0.000 6.525 0.000 0.000 1.0 AmbTrs NA CN CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs H NA CN CB 0 180 0 0 0.000 1.525 0.000 0.000 1.0 AmbTrs H NA CN CA 0 180 0 0 0.000 1.525 0.000 0.000 1.0 AmbTrs CN CB CA HA 0 180 0 0 0.000 3.500 0.000 0.000 1.0 AmbTrs CN CA CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HA CA CN CB 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HA CA CA CB 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CT CT SH HS 0 0 0 0 0.000 0.000 0.250 0.000 1.0 AmbTrs H1 CT CT SH 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H1 CT SH HS 0 0 0 0 0.000 0.000 0.250 0.000 1.0 AmbTrs HP CT C N 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HP CT C O 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HC CT CT S 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT S CT H1 0 0 0 0 0.000 0.000 0.333 0.000 1.0 ImpTrs CT O2 C O2 10.5 180.0 2.0 ImpTrs CT N C O 10.5 180.0 2.0 ImpTrs C CT N CT 1.0 180.0 2.0 ImpTrs CT CV CC NA 1.1 180.0 2.0 ImpTrs CA CA CA CT 1.1 180.0 2.0 ImpTrs N2 N2 CA N2 10.5 180.0 2.0 ImpTrs CA CA C OH 1.1 180.0 2.0 ImpTrs CB CT C* CW 1.1 180.0 2.0 ImpTrs C CT N H 1.1 180.0 2.0 ImpTrs C H N H 1.0 180.0 2.0 ImpTrs CC CR NA H 1.0 180.0 2.0 ImpTrs NA NB CR H5 1.1 180.0 2.0 ImpTrs CC NB CV H4 1.1 180.0 2.0 ImpTrs CA CA CA HA 1.1 180.0 2.0 ImpTrs CT CA N2 H 1.0 180.0 2.0 ImpTrs CA H N2 H 1.0 180.0 2.0 ImpTrs CA C CA HA 1.1 180.0 2.0 ImpTrs C* NA CW H4 1.1 180.0 2.0 ImpTrs CW CN NA H 1.0 180.0 2.0 ImpTrs CN CA CA HA 1.1 180.0 2.0 ImpTrs CA CB CA HA 1.1 180.0 2.0 --Link1-- %mem=54GB %nprocshared=16 %chk=domain-ab-TS3.chk # oniom(mpwpw91/6-31g(d):amber=softfirst)=embedcharge iop(3/76=0594004060) nosymm freq=(noraman,savenormalmodes,modelmodes) geom=connectivity temperature=310 pressure=1.0 5_Cys56-WAT.rtf -12 1 -1 1 -1 1 C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=47) 0 -13.578292 -6.973934 0.604720 H H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=47) 0 -12.946969 -7.580246 1.253425 H H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=47) 0 -13.837337 -6.099862 1.198259 H C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=47) 0 -14.868748 -7.728964 0.323316 H H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=47) 0 -15.552786 -7.118556 -0.279163 H H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=47) 0 -14.696799 -8.650368 -0.234419 H C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=47) 0 -15.637810 -8.059613 1.618956 H O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=47) 0 -16.133406 -9.209337 1.713894 H O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=47) 0 -15.718120 -7.157710 2.468621 H C-CT--0.027500(PDBName=CA,ResName=TRP,ResNum=52) 0 -24.899679 -13.871577 -3.443402 L H-H1-0.112300(PDBName=HA,ResName=TRP,ResNum=52) 0 -25.474551 -14.042823 -2.533161 L C-C-0.597300(PDBName=C,ResName=TRP,ResNum=52) 0 -23.765964 -14.920000 -3.454854 L O-O--0.567900(PDBName=O,ResName=TRP,ResNum=52) 0 -24.092422 -16.091112 -3.244010 L N-N--0.415700(PDBName=N,ResName=CYM,ResNum=53) 0 -22.486230 -14.559304 -3.679126 L H-HC 16 0.0000 H-H-0.271900(PDBName=H,ResName=CYM,ResNum=53) 0 -22.243761 -13.579586 -3.759944 L C-CT--0.035100(PDBName=CA,ResName=CYM,ResNum=53) 0 -21.404797 -15.525738 -3.909797 H H-H1-0.050800(PDBName=HA,ResName=CYM,ResNum=53) 0 -21.756277 -16.284811 -4.606958 H C-CT--0.241300(PDBName=CB,ResName=CYM,ResNum=53) 0 -20.225574 -14.813180 -4.568790 H H-H1-0.112200(PDBName=HB3,ResName=CYM,ResNum=53) 0 -19.934688 -13.915833 -4.026114 H H-H1-0.112200(PDBName=HB2,ResName=CYM,ResNum=53) 0 -20.460360 -14.519666 -5.591168 H S-SH--0.884400(PDBName=SG,ResName=CYM,ResNum=53) 0 -18.699870 -15.808353 -4.634194 H C-C-0.597300(PDBName=C,ResName=CYM,ResNum=53) 0 -21.046198 -16.148610 -2.585655 H O-O--0.567900(PDBName=O,ResName=CYM,ResNum=53) 0 -20.696678 -15.452619 -1.635074 H N-N--0.415700(PDBName=N,ResName=GLY,ResNum=54) 0 -21.082659 -17.488082 -2.505103 H H-H-0.271900(PDBName=H,ResName=GLY,ResNum=54) 0 -21.515851 -17.998166 -3.269601 H C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=54) 0 -20.824914 -18.175753 -1.264395 H H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=54) 0 -21.576993 -17.961805 -0.508851 H H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=54) 0 -20.840383 -19.247222 -1.460080 H C-C-0.597300(PDBName=C,ResName=GLY,ResNum=54) 0 -19.476510 -17.824936 -0.665768 H O-O--0.567900(PDBName=O,ResName=GLY,ResNum=54) 0 -19.308664 -17.755253 0.543499 H N-N--0.415700(PDBName=N,ResName=HID,ResNum=55) 0 -18.503554 -17.622162 -1.557163 H H-H-0.271900(PDBName=H,ResName=HID,ResNum=55) 0 -18.732363 -17.668160 -2.537895 H C-CT-0.018800(PDBName=CA,ResName=HID,ResNum=55) 0 -17.149095 -17.306361 -1.194654 H H-H1-0.088100(PDBName=HA,ResName=HID,ResNum=55) 0 -16.827471 -17.972727 -0.395062 H C-CT--0.046200(PDBName=CB,ResName=HID,ResNum=55) 0 -16.266803 -17.506110 -2.437351 H H-HC-0.040200(PDBName=HB2,ResName=HID,ResNum=55) 0 -16.623207 -16.850210 -3.230427 H H-HC-0.040200(PDBName=HB3,ResName=HID,ResNum=55) 0 -15.255245 -17.185441 -2.219025 H C-CC--0.026600(PDBName=CG,ResName=HID,ResNum=55) 0 -16.281836 -18.915099 -2.915319 H N-NA--0.381100(PDBName=ND1,ResName=HID,ResNum=55) 0 -15.430073 -19.885283 -2.442929 H H-H-0.364900(PDBName=HD1,ResName=HID,ResNum=55) 0 -14.517005 -19.732798 -2.033420 H C-CR-0.205700(PDBName=CE1,ResName=HID,ResNum=55) 0 -15.764904 -21.044134 -3.037291 H H-H5-0.139200(PDBName=HE1,ResName=HID,ResNum=55) 0 -15.220831 -21.958045 -2.880997 H N-NB--0.572700(PDBName=NE2,ResName=HID,ResNum=55) 0 -16.806703 -20.904231 -3.816555 H C-CV-0.129200(PDBName=CD2,ResName=HID,ResNum=55) 0 -17.126754 -19.574790 -3.760334 H H-H4-0.114700(PDBName=HD2,ResName=HID,ResNum=55) 0 -17.922952 -19.167979 -4.360849 H C-C-0.597300(PDBName=C,ResName=HID,ResNum=55) 0 -17.026190 -15.898284 -0.610497 H O-O--0.567900(PDBName=O,ResName=HID,ResNum=55) 0 -16.228614 -15.651800 0.287049 H N-N--0.415700(PDBName=N,ResName=CYS,ResNum=56) 0 -17.841256 -14.971403 -1.126691 H H-H-0.271900(PDBName=H,ResName=CYS,ResNum=56) 0 -18.538781 -15.257668 -1.792967 H C-CT-0.021300(PDBName=CA,ResName=CYS,ResNum=56) 0 -17.918118 -13.647188 -0.563024 H H-H1-0.112400(PDBName=HA,ResName=CYS,ResNum=56) 0 -16.919705 -13.241466 -0.424121 H C-CT--0.123100(PDBName=CB,ResName=CYS,ResNum=56) 0 -18.726371 -12.691516 -1.432312 H H-H1-0.111200(PDBName=HB2,ResName=CYS,ResNum=56) 0 -19.675825 -13.123397 -1.737663 H H-H1-0.111200(PDBName=HB3,ResName=CYS,ResNum=56) 0 -18.905281 -11.784855 -0.864107 H S-SH--0.311900(PDBName=SG,ResName=CYS,ResNum=56) 0 -17.818548 -12.207208 -2.917294 H H-HS-0.193300(PDBName=HG,ResName=CYS,ResNum=56) 0 -16.950285 -11.453683 -2.221094 H C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=120) 0 -11.781353 -15.750192 1.408845 H H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=120) 0 -12.132113 -16.775550 1.507497 H H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=120) 0 -12.548790 -15.075383 1.780373 H N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=120) 0 -11.461047 -15.457954 0.033209 H H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=120) 0 -10.568029 -15.034502 -0.183913 H C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=120) 0 -12.054424 -16.065035 -0.984766 H N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=120) 0 -13.165933 -16.768615 -0.799126 H H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=120) 0 -13.780900 -16.600125 -0.024492 H H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=120) 0 -13.436640 -17.371711 -1.572528 H N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=120) 0 -11.551648 -15.963862 -2.204402 H H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=120) 0 -10.609387 -15.633476 -2.336897 H H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=120) 0 -12.024167 -16.405757 -2.981365 H C-CT-0.090430(PDBName=C1,ResName=GDS,ResNum=238) 0 -11.898013 -19.237339 -4.779893 H C-C-0.795436(PDBName=C15,ResName=GDS,ResNum=238) 0 -12.588681 -19.121257 -3.422571 H O-O2--0.768529(PDBName=O1,ResName=GDS,ResNum=238) 0 -12.590988 -20.117002 -2.670398 H O-O2--0.768529(PDBName=O2,ResName=GDS,ResNum=238) 0 -13.144461 -18.030279 -3.195600 H N-N3--0.516764(PDBName=N1,ResName=GDS,ResNum=238) 0 -10.985063 -20.413078 -4.745447 H H-H-0.336685(PDBName=H21,ResName=GDS,ResNum=238) 0 -11.498012 -21.291176 -4.679399 H H-H-0.336685(PDBName=H22,ResName=GDS,ResNum=238) 0 -10.363214 -20.364460 -3.927499 H H-H-0.336685(PDBName=H25,ResName=GDS,ResNum=238) 0 -10.397676 -20.477964 -5.586122 H H-HP-0.075961(PDBName=H5,ResName=GDS,ResNum=238) 0 -11.263518 -18.367552 -4.932949 H C-CT-0.021774(PDBName=C7,ResName=GDS,ResNum=238) 0 -12.910427 -19.360062 -5.923795 H H-HC-0.040870(PDBName=H9,ResName=GDS,ResNum=238) 0 -13.642314 -20.131524 -5.677314 H H-HC-0.040870(PDBName=H10,ResName=GDS,ResNum=238) 0 -12.395141 -19.686070 -6.827628 H C-CT--0.669382(PDBName=C11,ResName=GDS,ResNum=238) 0 -13.611842 -18.030320 -6.187241 H H-HC-0.225501(PDBName=H17,ResName=GDS,ResNum=238) 0 -13.978442 -17.599941 -5.260054 H H-HC-0.225501(PDBName=H18,ResName=GDS,ResNum=238) 0 -12.891553 -17.328097 -6.611153 H C-C-1.051032(PDBName=C13,ResName=GDS,ResNum=238) 0 -14.724749 -18.121769 -7.200975 H N-N--0.847389(PDBName=N2,ResName=GDS,ResNum=238) 0 -15.769835 -17.293640 -7.006261 H C-CT-0.125808(PDBName=C2,ResName=GDS,ResNum=238) 0 -16.746161 -17.147952 -8.053005 H C-CT--0.228215(PDBName=C8,ResName=GDS,ResNum=238) 0 -17.999509 -16.401759 -7.599546 H S-S--0.127891(PDBName=S1,ResName=GDS,ResNum=238) 0 -18.913419 -17.154468 -6.197520 H S-S--0.127891(PDBName=S2,ResName=GDS,ResNum=238) 0 -19.147414 -19.338387 -9.181270 H C-CT--0.228215(PDBName=C9,ResName=GDS,ResNum=238) 0 -20.539250 -19.068543 -10.291894 H C-CT-0.125808(PDBName=C5,ResName=GDS,ResNum=238) 0 -21.898208 -18.980124 -9.585986 H C-C-0.499365(PDBName=C19,ResName=GDS,ResNum=238) 0 -22.931211 -18.837611 -10.688564 H N-N--0.214693(PDBName=N4,ResName=GDS,ResNum=238) 0 -23.457732 -17.602392 -10.825302 H C-CT--0.457591(PDBName=C4,ResName=GDS,ResNum=238) 0 -24.483918 -17.205903 -11.739818 H H-H1-0.143996(PDBName=H3,ResName=GDS,ResNum=238) 0 -25.394665 -17.787932 -11.670525 H H-H1-0.143996(PDBName=H4,ResName=GDS,ResNum=238) 0 -24.174177 -17.153128 -12.778306 H H-H-0.267948(PDBName=H30,ResName=GDS,ResNum=238) 0 -23.295082 -16.888666 -10.143360 H O-O--0.591564(PDBName=O11,ResName=GDS,ResNum=238) 0 -23.204593 -19.740178 -11.464465 H N-N--0.847389(PDBName=N5,ResName=GDS,ResNum=238) 0 -22.232967 -20.103830 -8.761494 H C-C-1.051032(PDBName=C14,ResName=GDS,ResNum=238) 0 -22.857735 -19.963584 -7.590660 H C-CT--0.669382(PDBName=C12,ResName=GDS,ResNum=238) 0 -23.354511 -21.271540 -7.004265 H H-HC-0.225501(PDBName=H19,ResName=GDS,ResNum=238) 0 -22.512632 -21.883418 -6.696249 H H-HC-0.225501(PDBName=H20,ResName=GDS,ResNum=238) 0 -23.879057 -21.792453 -7.806686 H O-O--0.715130(PDBName=O12,ResName=GDS,ResNum=238) 0 -22.995857 -18.888343 -6.993749 H H-H-0.433401(PDBName=H28,ResName=GDS,ResNum=238) 0 -22.152274 -21.033830 -9.179455 H H-H1-0.041154(PDBName=H7,ResName=GDS,ResNum=238) 0 -21.899988 -18.105300 -8.946486 H H-H1-0.190294(PDBName=H13,ResName=GDS,ResNum=238) 0 -20.606900 -19.845211 -11.052531 H H-H1-0.190294(PDBName=H14,ResName=GDS,ResNum=238) 0 -20.450347 -18.119959 -10.845689 H H-H1-0.190294(PDBName=H11,ResName=GDS,ResNum=238) 0 -18.704581 -16.408173 -8.427899 H H-H1-0.190294(PDBName=H12,ResName=GDS,ResNum=238) 0 -17.790473 -15.372786 -7.329576 H C-C-0.499365(PDBName=C16,ResName=GDS,ResNum=238) 0 -16.091016 -16.384437 -9.222365 H O-O--0.591564(PDBName=O10,ResName=GDS,ResNum=238) 0 -15.216117 -15.561823 -8.990223 H N-N--0.214693(PDBName=N3,ResName=GDS,ResNum=238) 0 -16.486585 -16.661243 -10.470423 H C-CT--0.457591(PDBName=C3,ResName=GDS,ResNum=238) 0 -15.871171 -15.988035 -11.626519 L H-H 113 0.0000 C-C-1.004947(PDBName=C17,ResName=GDS,ResNum=238) 0 -16.820512 -15.021730 -12.315692 L O-O2--0.856478(PDBName=O3,ResName=GDS,ResNum=238) 0 -17.955894 -15.462342 -12.608564 L O-O2--0.856478(PDBName=O4,ResName=GDS,ResNum=238) 0 -16.442860 -13.852557 -12.568665 L H-H1-0.143996(PDBName=H1,ResName=GDS,ResNum=238) 0 -15.584086 -16.723165 -12.373355 L H-H1-0.143996(PDBName=H2,ResName=GDS,ResNum=238) 0 -14.995083 -15.410877 -11.347657 L H-H-0.267948(PDBName=H29,ResName=GDS,ResNum=238) 0 -17.050617 -17.476716 -10.723954 H H-H1-0.041154(PDBName=H6,ResName=GDS,ResNum=238) 0 -17.046645 -18.134251 -8.396983 H H-H-0.433401(PDBName=H27,ResName=GDS,ResNum=238) 0 -15.663105 -16.526172 -6.354841 H O-O--0.715130(PDBName=O9,ResName=GDS,ResNum=238) 0 -14.667681 -18.877696 -8.160059 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=252) 0 -17.231700 -19.057263 -11.737223 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=252) 0 -18.025519 -19.012491 -12.319130 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=252) 0 -17.656417 -19.413863 -10.925443 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=254) 0 -16.374739 -23.632517 -4.713803 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=254) 0 -16.725793 -22.732804 -4.670102 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=254) 0 -16.429117 -23.876872 -5.638425 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=256) 0 -20.051368 -14.035487 -7.819050 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=256) 0 -19.693697 -14.294530 -8.687737 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=256) 0 -20.998134 -14.159291 -7.975642 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=268) 0 -22.957280 -18.426547 -4.353933 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=268) 0 -22.906952 -18.645947 -5.327154 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=268) 0 -23.675445 -17.764382 -4.386449 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=373) 0 -16.860427 -10.985160 0.026178 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=373) 0 -16.486311 -10.184804 0.497010 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=373) 0 -17.224953 -11.463920 0.774466 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=800) 0 413.729267 -10.274569 -28.744880 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=800) 0 413.245906 -11.068310 -28.974139 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=800) 0 413.051922 -9.643840 -28.500727 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1001) 0 -19.468809 -15.080411 -10.412341 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1001) 0 -20.367256 -15.177791 -10.834321 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1001) 0 -18.928500 -15.311915 -11.212367 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1076) 0 -13.613318 -19.619465 -11.819655 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1076) 0 -13.283070 -18.818453 -12.265704 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1076) 0 -14.480521 -19.385024 -11.477362 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1088) 0 -19.332291 -22.674754 -9.316462 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1088) 0 -19.193108 -21.717629 -9.191621 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1088) 0 -20.125063 -22.702563 -9.868844 H C-C-0.597300(PDBName=C,ResName=CYS,ResNum=56) 0 -18.552074 -13.683787 0.818354 H O-O--0.567900(PDBName=O,ResName=CYS,ResNum=56) 0 -18.185769 -12.955804 1.724406 H N-N--0.347900(PDBName=N,ResName=LYS,ResNum=57) 0 -19.558829 -14.562241 0.954956 H H-H-0.274700(PDBName=H,ResName=LYS,ResNum=57) 0 -19.897768 -15.113241 0.178689 H C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=81) 0 -18.877845 -4.049255 3.181034 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=81) 0 -19.381305 -4.736145 2.498564 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=81) 0 -18.374516 -4.619550 3.963116 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=81) 0 -19.891111 -3.088812 3.813874 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=81) 0 -19.406548 -2.569386 4.646607 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=81) 0 -20.163034 -2.341628 3.062923 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=81) 0 -21.130530 -3.748554 4.283897 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=81) 0 -21.780678 -3.032515 4.608792 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=81) 0 -21.601027 -4.218301 3.522750 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=81) 0 -20.976901 -4.386377 5.059028 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=241) 0 -20.631412 -2.305145 -0.283253 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=241) 0 -20.120930 -1.658448 -0.817705 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=241) 0 -21.540428 -2.040330 -0.500985 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=247) 0 -12.180675 -19.369255 -9.359652 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=247) 0 -13.035579 -19.244872 -8.923747 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=247) 0 -12.443885 -19.624445 -10.256049 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=290) 0 -24.567191 -22.085652 -10.564846 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=290) 0 -25.095282 -21.453941 -10.029821 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=290) 0 -24.129488 -21.474697 -11.175006 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=300) 0 -20.512033 -23.697008 -4.656094 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=300) 0 -21.434511 -23.383928 -4.565630 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=300) 0 -19.989597 -23.288342 -3.954458 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=510) 0 -19.099207 -22.288918 -2.580058 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=510) 0 -18.450526 -22.532951 -1.896271 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=510) 0 -18.552844 -21.790478 -3.204032 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=702) 0 -21.749528 -17.740516 -13.420659 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=702) 0 -22.440393 -18.305358 -13.055734 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=702) 0 -21.805027 -16.956822 -12.845058 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=714) 0 -19.399293 -19.298778 -13.391630 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=714) 0 -20.188934 -18.738275 -13.286381 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=714) 0 -18.992116 -18.976435 -14.214572 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=928) 0 -22.104573 -22.793796 -9.595389 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=928) 0 -23.027385 -22.795042 -9.908438 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=928) 0 -22.036396 -23.279345 -8.762669 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1135) 0 -17.448526 -7.019877 4.649090 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1135) 0 -16.868058 -7.146483 3.867974 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1135) 0 -17.159113 -7.690288 5.272828 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1274) 0 -26.614490 -6.448888 21.048469 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1274) 0 -26.842517 -7.200248 20.492035 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1274) 0 -25.769656 -6.156019 20.634978 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1283) 0 -20.829897 -23.895468 -7.364786 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1283) 0 -20.493341 -23.726651 -6.470320 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1283) 0 -20.160464 -23.526798 -7.976734 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=249) 0 -12.217160 -15.301391 -5.136058 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=249) 0 -13.181492 -15.312682 -5.263521 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=249) 0 -12.072859 -14.356500 -4.911082 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=265) 0 -24.281503 -18.775513 -1.827035 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=265) 0 -23.692037 -18.823448 -2.602866 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=265) 0 -23.891029 -19.464616 -1.249943 L N-N3-0.159200(PDBName=N,ResName=MET,ResNum=1) 0 -13.568371 23.388876 -13.289960 L H-H-0.198400(PDBName=H1,ResName=MET,ResNum=1) 0 -14.051021 22.520203 -13.476091 L H-H-0.198400(PDBName=H2,ResName=MET,ResNum=1) 0 -12.617663 23.174713 -13.010186 L H-H-0.198400(PDBName=H3,ResName=MET,ResNum=1) 0 -13.520464 23.918141 -14.152285 L C-CT-0.022100(PDBName=CA,ResName=MET,ResNum=1) 0 -14.277082 24.150298 -12.245922 L H-HP-0.111600(PDBName=HA,ResName=MET,ResNum=1) 0 -13.792202 25.119979 -12.134707 L C-CT-0.086500(PDBName=CB,ResName=MET,ResNum=1) 0 -15.740561 24.381336 -12.656378 L H-HC-0.012500(PDBName=HB2,ResName=MET,ResNum=1) 0 -15.761913 24.805094 -13.660947 L H-HC-0.012500(PDBName=HB3,ResName=MET,ResNum=1) 0 -16.265985 23.427802 -12.679642 L C-CT-0.033400(PDBName=CG,ResName=MET,ResNum=1) 0 -16.491704 25.335802 -11.724132 L H-H1-0.029200(PDBName=HG2,ResName=MET,ResNum=1) 0 -16.413305 24.978305 -10.697055 L H-H1-0.029200(PDBName=HG3,ResName=MET,ResNum=1) 0 -16.025656 26.319477 -11.790140 L S-S--0.277400(PDBName=SD,ResName=MET,ResNum=1) 0 -18.250388 25.499975 -12.129847 L C-CT--0.034100(PDBName=CE,ResName=MET,ResNum=1) 0 -18.688585 26.933514 -11.113261 L H-H1-0.059700(PDBName=HE1,ResName=MET,ResNum=1) 0 -18.048549 27.779554 -11.366782 L H-H1-0.059700(PDBName=HE2,ResName=MET,ResNum=1) 0 -19.730748 27.202400 -11.287292 L H-H1-0.059700(PDBName=HE3,ResName=MET,ResNum=1) 0 -18.560073 26.684953 -10.061604 L C-C-0.612300(PDBName=C,ResName=MET,ResNum=1) 0 -14.139183 23.400289 -10.928164 L O-O--0.571300(PDBName=O,ResName=MET,ResNum=1) 0 -14.966832 22.549626 -10.594047 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=2) 0 -13.049311 23.659928 -10.208184 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=2) 0 -12.449639 24.426340 -10.504602 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=2) 0 -12.672434 22.937512 -8.996987 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=2) 0 -13.040565 21.916608 -9.086100 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=2) 0 -11.133732 22.876106 -8.916828 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=2) 0 -10.763953 22.344532 -9.794182 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=2) 0 -10.732532 23.890827 -8.945146 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=2) 0 -10.594287 22.177023 -7.654640 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=2) 0 -10.810993 22.783809 -6.777392 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=2) 0 -11.204413 20.795809 -7.449226 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=2) 0 -10.993472 20.157988 -8.307468 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=2) 0 -10.775125 20.349483 -6.556061 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=2) 0 -12.276256 20.864234 -7.290225 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=2) 0 -9.082798 22.023865 -7.756156 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=2) 0 -8.634919 23.007168 -7.872403 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=2) 0 -8.696978 21.566529 -6.844526 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=2) 0 -8.820977 21.396732 -8.608387 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=2) 0 -13.331112 23.555199 -7.757607 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=2) 0 -12.741593 24.411509 -7.093739 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=3) 0 -14.561953 23.134568 -7.444500 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=3) 0 -15.021702 22.475628 -8.062242 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=3) 0 -15.285187 23.570158 -6.238672 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=3) 0 -14.570325 23.567370 -5.416739 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=3) 0 -15.779949 25.015360 -6.451172 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=3) 0 -15.295496 25.444389 -7.326243 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=3) 0 -16.850493 25.037035 -6.636462 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=3) 0 -15.428898 25.898758 -5.249617 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=3) 0 -16.048623 25.612162 -4.403287 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=3) 0 -14.378553 25.761760 -4.987619 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=3) 0 -15.650517 27.376181 -5.579207 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=3) 0 -15.008490 27.637431 -6.420191 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=3) 0 -16.686600 27.539154 -5.875784 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=3) 0 -15.316820 28.240651 -4.438776 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=3) 0 -14.437477 28.739114 -4.463533 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=3) 0 -16.026357 28.399735 -3.340939 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=3) 0 -17.182720 27.839816 -3.151245 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=3) 0 -17.597700 27.264103 -3.874521 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=3) 0 -17.639617 27.972411 -2.268226 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=3) 0 -15.559732 29.128716 -2.379631 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=3) 0 -14.663004 29.579809 -2.502216 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=3) 0 -16.024175 29.140311 -1.481051 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=3) 0 -16.402441 22.599461 -5.832022 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=3) 0 -16.759278 21.715379 -6.606802 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=4) 0 -16.868817 22.729121 -4.584913 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=4) 0 -16.461000 23.488100 -4.048199 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=4) 0 -17.806395 21.879294 -3.819947 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=4) 0 -17.392936 21.868038 -2.811899 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=4) 0 -19.195214 22.520655 -3.678814 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=4) 0 -19.088533 23.587834 -3.477089 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=4) 0 -19.763184 22.394762 -4.595892 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=4) 0 -19.955129 21.872491 -2.514440 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=4) 0 -19.943051 20.786457 -2.613544 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=4) 0 -19.465798 22.142684 -1.578935 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=4) 0 -21.411868 22.327592 -2.489281 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=4) 0 -21.456849 23.415947 -2.415435 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=4) 0 -21.876985 22.010707 -3.423064 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=4) 0 -22.121110 21.720297 -1.354073 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=4) 0 -21.553361 21.379868 -0.583774 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=4) 0 -23.423612 21.604962 -1.205492 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=4) 0 -24.273549 22.060274 -2.075160 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=4) 0 -23.946891 22.493479 -2.934253 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=4) 0 -25.261291 21.953991 -1.891490 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=4) 0 -23.924110 21.013644 -0.165352 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=4) 0 -23.333498 20.566157 0.527699 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=4) 0 -24.930553 20.921554 -0.130817 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=4) 0 -17.842590 20.397507 -4.200528 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=4) 0 -17.131987 19.622711 -3.571425 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=5) 0 -18.643461 19.992013 -5.188021 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=5) 0 -19.166073 20.690261 -5.706197 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=5) 0 -18.770455 18.591097 -5.609707 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=5) 0 -18.890942 17.983704 -4.710405 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=5) 0 -20.051183 18.443551 -6.441354 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=5) 0 -19.951017 18.990697 -7.378481 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=5) 0 -20.227826 17.390034 -6.662537 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=5) 0 -20.904925 18.831650 -5.884566 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=5) 0 -17.523784 18.031153 -6.335560 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=5) 0 -17.557950 16.902801 -6.831682 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=6) 0 -16.440374 18.810003 -6.412418 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=6) 0 -16.547158 19.773311 -6.125617 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=6) 0 -15.122880 18.394610 -6.892868 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=6) 0 -15.135834 17.312709 -7.029329 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=6) 0 -14.880273 19.087080 -8.249948 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=6) 0 -15.834367 19.287336 -8.741862 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=6) 0 -14.404649 20.050312 -8.067253 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=6) 0 -14.015362 18.254737 -9.210653 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=6) 0 -13.149033 17.844415 -8.694498 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=6) 0 -14.832056 17.112725 -9.808595 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=6) 0 -15.703267 17.507535 -10.324717 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=6) 0 -14.219456 16.555219 -10.512225 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=6) 0 -15.163525 16.435251 -9.024133 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=6) 0 -13.521856 19.133308 -10.356280 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=6) 0 -12.834848 19.879815 -9.966209 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=6) 0 -12.990782 18.517609 -11.080932 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=6) 0 -14.359976 19.628989 -10.842587 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=6) 0 -13.981276 18.687253 -5.894208 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=6) 0 -12.818579 18.428530 -6.212694 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=7) 0 -14.259892 19.244214 -4.707762 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=7) 0 -15.226091 19.250966 -4.396340 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=7) 0 -13.246905 19.844835 -3.826608 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=7) 0 -12.257968 19.490854 -4.122305 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=7) 0 -13.292484 21.371882 -4.036052 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=7) 0 -13.092942 21.584937 -5.086380 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=7) 0 -14.301011 21.714867 -3.804430 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=7) 0 -12.307581 22.181625 -3.172061 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=7) 0 -12.520333 22.020473 -2.115523 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=7) 0 -10.855781 21.804395 -3.450805 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=7) 0 -10.633233 21.891393 -4.513197 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=7) 0 -10.199902 22.469546 -2.896384 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=7) 0 -10.656216 20.785341 -3.122290 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=7) 0 -12.474509 23.671643 -3.466472 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=7) 0 -13.497954 23.977765 -3.256384 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=7) 0 -11.804765 24.248705 -2.828595 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=7) 0 -12.236374 23.873657 -4.508784 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=7) 0 -13.436343 19.489233 -2.343466 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=7) 0 -14.423893 19.890268 -1.723803 L N-N--0.415700(PDBName=N,ResName=CYS,ResNum=8) 0 -12.426293 18.860413 -1.739068 L H-H-0.271900(PDBName=H,ResName=CYS,ResNum=8) 0 -11.641767 18.548513 -2.302764 L C-CT-0.021300(PDBName=CA,ResName=CYS,ResNum=8) 0 -12.329375 18.709330 -0.288046 L H-H1-0.112400(PDBName=HA,ResName=CYS,ResNum=8) 0 -13.277256 18.317864 0.086589 L C-CT--0.123100(PDBName=CB,ResName=CYS,ResNum=8) 0 -11.225686 17.702361 0.045284 L H-H1-0.111200(PDBName=HB2,ResName=CYS,ResNum=8) 0 -11.329975 16.826552 -0.589488 L H-H1-0.111200(PDBName=HB3,ResName=CYS,ResNum=8) 0 -10.243303 18.143163 -0.131616 L S-SH--0.311900(PDBName=SG,ResName=CYS,ResNum=8) 0 -11.380290 17.216819 1.787298 L H-HS-0.193300(PDBName=HG,ResName=CYS,ResNum=8) 0 -12.461870 16.436021 1.623167 L C-C-0.597300(PDBName=C,ResName=CYS,ResNum=8) 0 -12.054945 20.070151 0.369381 L O-O--0.567900(PDBName=O,ResName=CYS,ResNum=8) 0 -10.927713 20.569467 0.356866 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=9) 0 -13.088717 20.692151 0.930363 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=9) 0 -13.991368 20.233128 0.920001 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=9) 0 -13.011522 22.017023 1.541239 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=9) 0 -12.187959 22.559523 1.077061 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=9) 0 -14.330667 22.745331 1.236002 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=9) 0 -14.686780 22.464017 0.243092 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=9) 0 -15.077896 22.420572 1.959941 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=9) 0 -14.203022 24.270254 1.287741 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=9) 0 -13.661725 24.554541 2.186561 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=9) 0 -13.479294 24.817174 0.053384 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=9) 0 -14.029937 24.583673 -0.851355 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=9) 0 -13.375349 25.896895 0.131404 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=9) 0 -12.484609 24.385148 -0.033944 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=9) 0 -15.595007 24.885399 1.356949 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=9) 0 -16.060231 24.606732 2.301332 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=9) 0 -15.518432 25.967851 1.309601 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=9) 0 -16.209664 24.525072 0.535517 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=9) 0 -12.716363 21.916368 3.047018 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=9) 0 -13.142625 20.954220 3.687783 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=10) 0 -12.015723 22.900170 3.618715 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=10) 0 -11.704350 23.672028 3.040657 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=10) 0 -11.652508 22.940057 5.039813 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=10) 0 -11.347946 21.942038 5.355887 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=10) 0 -10.443814 23.874590 5.197220 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=10) 0 -10.708879 24.890640 4.902445 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=10) 0 -10.118954 23.876352 6.238358 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=10) 0 -9.620410 23.527495 4.572688 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=10) 0 -12.854582 23.366565 5.906209 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=10) 0 -13.067271 24.560195 6.142318 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=11) 0 -13.713012 22.414833 6.289930 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=11) 0 -13.483923 21.449003 6.066501 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=11) 0 -15.070225 22.705361 6.795901 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=11) 0 -15.009818 23.577991 7.445984 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=11) 0 -15.938941 23.080926 5.567402 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=11) 0 -15.301999 23.615263 4.860911 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=11) 0 -16.485821 21.873914 4.801849 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=11) 0 -17.388704 21.479100 5.264044 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=11) 0 -16.713517 22.172656 3.783993 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=11) 0 -15.730956 21.089207 4.761984 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=11) 0 -17.045822 24.080813 5.911175 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=11) 0 -16.617347 24.941700 6.425125 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=11) 0 -17.506570 24.431666 4.990651 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=11) 0 -17.813246 23.634326 6.535466 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=11) 0 -15.636068 21.550666 7.654447 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=11) 0 -14.870753 20.719344 8.149093 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=12) 0 -16.955818 21.512855 7.875270 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=12) 0 -17.514780 22.261373 7.499051 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=12) 0 -17.686317 20.390736 8.470178 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=12) 0 -17.051255 19.502762 8.469108 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=12) 0 -18.004955 20.738122 9.931003 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=12) 0 -18.615680 21.640543 9.982408 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=12) 0 -18.548316 19.911601 10.390887 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=12) 0 -17.077130 20.896143 10.482363 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=12) 0 -18.947224 20.048508 7.642620 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=12) 0 -20.040703 20.568633 7.888369 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=13) 0 -18.794263 19.197972 6.629606 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=13) 0 -17.853065 18.855179 6.449604 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=13) 0 -19.862953 18.629365 5.802923 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=13) 0 -20.830501 18.947675 6.188173 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=13) 0 -19.718793 19.172354 4.375294 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=13) 0 -18.751154 18.881280 3.961762 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=13) 0 -20.508740 18.768590 3.741122 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=13) 0 -19.790620 20.260375 4.383412 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=13) 0 -19.832397 17.088438 5.852139 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=13) 0 -18.780937 16.508142 6.133369 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=14) 0 -20.968913 16.433140 5.581166 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=14) 0 -21.781658 16.999724 5.380129 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=14) 0 -21.176131 14.972918 5.618672 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=14) 0 -22.252859 14.815412 5.543357 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=14) 0 -20.588047 14.347984 4.335913 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=14) 0 -21.164053 14.732503 3.492579 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=14) 0 -19.572509 14.710655 4.210539 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=14) 0 -20.548851 12.811947 4.231471 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=14) 0 -19.881458 12.410426 4.989253 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=14) 0 -21.917462 12.162695 4.411802 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=14) 0 -22.592781 12.499850 3.630651 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=14) 0 -21.815390 11.079068 4.344291 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=14) 0 -22.328815 12.403611 5.390868 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=14) 0 -19.997065 12.438804 2.854427 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=14) 0 -18.971859 12.795859 2.758014 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=14) 0 -20.003821 11.358863 2.729451 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=14) 0 -20.603745 12.885759 2.070729 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=14) 0 -20.791669 14.328468 6.972360 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=14) 0 -21.657973 14.213695 7.841812 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=15) 0 -19.528044 13.960267 7.187741 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=15) 0 -18.869858 14.121388 6.432653 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=15) 0 -18.968341 13.483683 8.472195 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=15) 0 -19.495994 13.977957 9.288570 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=15) 0 -19.177637 11.958701 8.618347 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=15) 0 -20.230340 11.750793 8.429649 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=15) 0 -18.353787 11.124689 7.630973 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=15) 0 -17.290511 11.277797 7.805298 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=15) 0 -18.576501 10.065951 7.766113 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=15) 0 -18.596939 11.400676 6.607933 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=15) 0 -18.876486 11.472668 10.036761 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=15) 0 -19.488098 12.023417 10.746786 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=15) 0 -19.119235 10.413293 10.118558 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=15) 0 -17.824529 11.604788 10.282640 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=15) 0 -17.486189 13.869566 8.577308 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=15) 0 -16.826697 14.006512 7.543968 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=16) 0 -16.926433 14.055260 9.779792 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=16) 0 -17.505077 13.954236 10.608887 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=16) 0 -15.481174 14.305140 9.953453 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=16) 0 -15.218882 15.196864 9.385576 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=16) 0 -15.159764 14.558103 11.436724 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=16) 0 -15.866262 15.277300 11.845415 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=16) 0 -15.291185 13.622752 11.980643 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=16) 0 -13.737396 15.102322 11.674065 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=16) 0 -13.026074 14.662202 10.982676 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=16) 0 -13.732783 16.183255 11.528941 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=16) 0 -13.268045 14.762298 13.087639 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=16) 0 -13.925229 15.253620 13.801857 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=16) 0 -13.348337 13.685013 13.240108 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=16) 0 -11.882312 15.188815 13.339477 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=16) 0 -11.756101 15.972499 13.969132 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=16) 0 -10.786033 14.515165 13.048795 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=16) 0 -10.771917 13.413064 12.362378 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=16) 0 -11.634101 12.968849 12.064662 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=16) 0 -9.909925 12.892389 12.318013 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=16) 0 -9.626322 14.922810 13.462038 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=16) 0 -9.556518 15.674820 14.133398 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=16) 0 -8.849525 14.288398 13.332102 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=16) 0 -14.644552 13.128414 9.430413 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=16) 0 -15.006536 11.971946 9.646737 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=17) 0 -13.484262 13.427337 8.844129 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=17) 0 -13.276972 14.404597 8.678867 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=17) 0 -12.429511 12.459455 8.542534 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=17) 0 -12.798750 11.802636 7.759593 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=17) 0 -11.217813 13.226831 8.003075 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=17) 0 -10.815155 13.884928 8.774549 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=17) 0 -10.439786 12.531263 7.685323 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=17) 0 -11.519704 13.824255 7.144031 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=17) 0 -12.054886 11.556672 9.737398 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=17) 0 -12.460188 11.800970 10.874145 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=18) 0 -11.313214 10.483068 9.458211 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=18) 0 -10.983221 10.407132 8.505625 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=18) 0 -11.268670 9.222958 10.222285 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=18) 0 -10.535788 8.601495 9.708250 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=18) 0 -10.717599 9.404348 11.646457 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=18) 0 -9.759211 9.921308 11.595008 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=18) 0 -11.399762 10.009909 12.241136 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=18) 0 -10.527794 8.054488 12.341477 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=18) 0 -9.570236 7.330446 11.986577 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=18) 0 -11.341465 7.718846 13.240542 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=18) 0 -12.578984 8.411819 10.176610 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=18) 0 -12.517568 7.184107 10.208008 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=19) 0 -13.744820 9.037524 9.984059 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=19) 0 -13.760550 10.048611 9.993387 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=19) 0 -14.910343 8.361500 9.418253 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=19) 0 -14.825227 7.289596 9.580286 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=19) 0 -16.190025 8.782875 10.144676 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=19) 0 -16.375680 9.842397 9.991135 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=19) 0 -17.035377 8.221502 9.744632 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=19) 0 -16.099964 8.577618 11.209923 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=19) 0 -14.977443 8.645611 7.904721 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=19) 0 -15.250966 9.780045 7.506169 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=20) 0 -14.738847 7.648360 7.040213 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=20) 0 -14.159894 6.352659 7.354508 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=20) 0 -14.809970 5.780333 8.017050 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=20) 0 -13.180070 6.486490 7.809706 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=20) 0 -14.016972 5.625720 6.022521 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=20) 0 -14.800925 4.874549 5.928655 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=20) 0 -13.029908 5.182358 5.948910 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=20) 0 -14.212602 6.705108 4.962923 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=20) 0 -14.590405 6.296648 4.025323 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=20) 0 -13.263825 7.210805 4.790156 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=20) 0 -15.185621 7.666483 5.652677 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=20) 0 -15.110193 8.658869 5.207703 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=20) 0 -16.651771 7.196661 5.630945 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=20) 0 -17.345128 7.233229 6.654443 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=21) 0 -17.138589 6.672909 4.506082 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=21) 0 -16.554290 6.626684 3.686586 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=21) 0 -18.311634 5.803533 4.584105 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=21) 0 -18.948984 6.241373 5.338721 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=21) 0 -19.110748 5.803967 3.275284 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=21) 0 -19.189030 6.828101 2.911321 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=21) 0 -18.588711 5.215049 2.520805 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=21) 0 -20.532056 5.257613 3.475356 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=21) 0 -21.099064 5.452031 2.564261 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=21) 0 -20.476734 4.178467 3.628649 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=21) 0 -21.238277 5.909152 4.673936 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=21) 0 -21.740351 7.051529 4.552706 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=21) 0 -21.118408 5.376325 5.804648 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=21) 0 -17.911335 4.406914 5.087102 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=21) 0 -16.924583 3.852900 4.611773 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=22) 0 -18.626476 3.847805 6.069310 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=22) 0 -19.493449 4.295086 6.350829 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=22) 0 -18.279749 2.573720 6.724786 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=22) 0 -17.918069 1.898620 5.955106 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=22) 0 -17.123961 2.741190 7.734661 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=22) 0 -16.973010 1.783402 8.235115 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=22) 0 -16.205439 2.971294 7.196129 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=22) 0 -17.329654 3.830163 8.794073 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=22) 0 -17.108521 4.807772 8.360962 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=22) 0 -18.368770 3.834824 9.115888 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=22) 0 -16.434226 3.579625 10.009866 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=22) 0 -15.214754 3.859489 9.957446 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=22) 0 -16.948544 3.095575 11.052477 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=22) 0 -19.481197 1.868358 7.389132 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=22) 0 -20.395648 2.514229 7.909221 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=23) 0 -19.457759 0.533687 7.383497 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=23) 0 -18.644980 0.083064 6.964453 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=23) 0 -20.431200 -0.393182 7.984503 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=23) 0 -21.010174 0.109193 8.760388 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=23) 0 -21.378742 -0.960728 6.909830 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=23) 0 -20.767531 -1.414592 6.129542 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=23) 0 -21.981719 -1.749554 7.361551 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=23) 0 -22.332583 0.064212 6.271108 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=23) 0 -23.054730 0.382005 7.023759 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=23) 0 -21.764311 0.940596 5.959547 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=23) 0 -23.079486 -0.480348 5.038955 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=23) 0 -22.939051 -1.684008 4.694657 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=23) 0 -23.804672 0.308402 4.385454 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=23) 0 -19.648303 -1.561895 8.607420 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=23) 0 -18.714719 -2.058218 7.983252 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=24) 0 -19.979187 -2.006559 9.825751 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=24) 0 -20.781403 -1.603328 10.284642 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=24) 0 -19.130107 -2.927166 10.618152 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=24) 0 -19.546407 -2.956908 11.625967 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=24) 0 -19.185654 -4.368521 10.074554 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=24) 0 -18.761608 -4.407962 9.070416 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=24) 0 -18.570313 -4.996105 10.716949 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=24) 0 -20.582864 -4.973248 10.065705 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=24) 0 -21.056359 -5.402824 8.984495 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=24) 0 -21.181407 -5.111619 11.153341 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=24) 0 -17.668527 -2.437669 10.782318 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=24) 0 -16.741326 -3.234493 10.938438 L N-N--0.415700(PDBName=N,ResName=HID,ResNum=25) 0 -17.440610 -1.122836 10.703141 L H-H-0.271900(PDBName=H,ResName=HID,ResNum=25) 0 -18.251255 -0.515631 10.627105 L C-CT-0.018800(PDBName=CA,ResName=HID,ResNum=25) 0 -16.133033 -0.467111 10.554504 L H-H1-0.088100(PDBName=HA,ResName=HID,ResNum=25) 0 -16.352224 0.589067 10.410746 L C-CT--0.046200(PDBName=CB,ResName=HID,ResNum=25) 0 -15.323558 -0.558367 11.855537 L H-HC-0.040200(PDBName=HB2,ResName=HID,ResNum=25) 0 -15.018070 -1.591423 12.025510 L H-HC-0.040200(PDBName=HB3,ResName=HID,ResNum=25) 0 -14.420720 0.044218 11.758063 L C-CC--0.026600(PDBName=CG,ResName=HID,ResNum=25) 0 -16.093727 -0.062657 13.050125 L N-NA--0.381100(PDBName=ND1,ResName=HID,ResNum=25) 0 -16.721262 1.156585 13.162245 L H-H-0.364900(PDBName=HD1,ResName=HID,ResNum=25) 0 -16.782417 1.867443 12.435239 L C-CR-0.205700(PDBName=CE1,ResName=HID,ResNum=25) 0 -17.323789 1.209221 14.360278 L H-H5-0.139200(PDBName=HE1,ResName=HID,ResNum=25) 0 -17.912324 2.043609 14.724114 L N-NB--0.572700(PDBName=NE2,ResName=HID,ResNum=25) 0 -17.094137 0.075204 15.044676 L C-CV-0.129200(PDBName=CD2,ResName=HID,ResNum=25) 0 -16.333384 -0.750339 14.206683 L H-H4-0.114700(PDBName=HD2,ResName=HID,ResNum=25) 0 -15.997460 -1.755228 14.428178 L C-C-0.597300(PDBName=C,ResName=HID,ResNum=25) 0 -15.331130 -0.852478 9.297863 L O-O--0.567900(PDBName=O,ResName=HID,ResNum=25) 0 -14.202964 -0.379403 9.130797 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=26) 0 -15.916331 -1.632992 8.386817 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=26) 0 -16.863985 -1.949342 8.569956 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=26) 0 -15.409529 -1.867564 7.033672 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=26) 0 -14.325393 -1.938306 7.079793 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=26) 0 -15.957795 -3.184204 6.442535 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=26) 0 -17.024614 -3.082433 6.245758 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=26) 0 -15.255096 -3.498870 5.122277 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=26) 0 -14.181260 -3.587245 5.280527 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=26) 0 -15.637671 -4.439553 4.725061 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=26) 0 -15.454213 -2.709701 4.402805 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=26) 0 -15.752900 -4.395915 7.360305 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=26) 0 -16.176147 -5.285089 6.891222 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=26) 0 -14.691448 -4.558510 7.536322 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=26) 0 -16.263109 -4.239756 8.309967 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=26) 0 -15.812925 -0.674501 6.163809 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=26) 0 -16.992901 -0.329557 6.087282 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=27) 0 -14.854844 -0.013698 5.512500 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=27) 0 -13.900775 -0.345249 5.602252 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=27) 0 -15.122361 1.192160 4.725153 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=27) 0 -15.710278 1.860195 5.348192 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=27) 0 -13.839362 1.950339 4.327742 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=27) 0 -13.491898 1.555642 3.377007 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=27) 0 -14.134926 2.985095 4.153094 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=27) 0 -12.624149 1.946721 5.271757 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=27) 0 -12.167697 0.964709 5.255419 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=27) 0 -11.575709 2.906325 4.712939 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=27) 0 -11.975252 3.910921 4.623236 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=27) 0 -10.700660 2.917670 5.362097 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=27) 0 -11.280471 2.567017 3.721280 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=27) 0 -12.944036 2.289377 6.725397 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=27) 0 -13.376245 1.418663 7.215126 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=27) 0 -12.033184 2.567971 7.251812 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=27) 0 -13.658371 3.102197 6.784444 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=27) 0 -15.952923 0.833277 3.483034 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=27) 0 -15.509678 0.043686 2.654072 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=28) 0 -17.145046 1.399209 3.319000 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=28) 0 -17.402033 2.144782 3.955365 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=28) 0 -18.056547 1.058109 2.214849 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=28) 0 -17.814048 0.052618 1.868154 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=28) 0 -19.527611 1.020484 2.651453 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=28) 0 -19.913658 2.027363 2.799347 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=28) 0 -20.360747 0.293000 1.597598 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=28) 0 -21.416000 0.325027 1.869007 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=28) 0 -20.241222 0.758570 0.619923 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=28) 0 -20.035198 -0.741978 1.544494 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=28) 0 -19.679828 0.250189 3.957970 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=28) 0 -19.505205 0.932921 4.779014 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=28) 0 -20.686334 -0.143026 4.040460 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=28) 0 -18.959803 -0.564261 4.010672 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=28) 0 -17.802006 2.004593 1.054788 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=28) 0 -18.500342 3.005053 0.871792 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=29) 0 -16.725355 1.722961 0.324161 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=29) 0 -16.227149 0.865421 0.530185 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=29) 0 -16.158284 2.652992 -0.645591 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=29) 0 -16.295881 3.657914 -0.245856 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=29) 0 -14.643060 2.436886 -0.795942 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=29) 0 -14.464391 1.442011 -1.205848 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=29) 0 -14.259182 3.173567 -1.503651 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=29) 0 -13.872585 2.578903 0.531303 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=29) 0 -14.166782 1.768650 1.190598 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=29) 0 -12.369867 2.460935 0.287600 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=29) 0 -12.027348 3.283246 -0.338187 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=29) 0 -11.836828 2.489010 1.237004 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=29) 0 -12.149259 1.514872 -0.205401 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=29) 0 -14.146592 3.901270 1.251392 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=29) 0 -15.168203 3.919753 1.629265 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=29) 0 -13.479052 4.003490 2.104033 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=29) 0 -13.995876 4.735738 0.565801 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=29) 0 -16.920508 2.645434 -1.970135 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=29) 0 -17.508508 1.643447 -2.382299 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=30) 0 -16.933215 3.817400 -2.596992 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=30) 0 -16.340762 4.543332 -2.202469 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=30) 0 -17.781246 4.220804 -3.717737 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=30) 0 -18.409157 3.386867 -4.024819 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=30) 0 -18.654956 5.413414 -3.265317 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=30) 0 -18.116614 5.994770 -2.516051 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=30) 0 -18.803739 6.070609 -4.117828 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=30) 0 -20.057246 5.102870 -2.725639 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=30) 0 -20.478620 6.022550 -2.317396 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=30) 0 -20.695019 4.805051 -3.549690 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=30) 0 -20.122648 4.019407 -1.654366 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=30) 0 -19.598685 3.127444 -1.994729 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=30) 0 -19.644323 4.404472 -0.754820 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=30) 0 -21.521969 3.654675 -1.396909 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=30) 0 -22.162592 3.679538 -2.182488 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=30) 0 -22.072930 3.319341 -0.252292 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=30) 0 -21.406146 3.265750 0.856758 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=30) 0 -20.403345 3.386948 0.854619 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=30) 0 -21.948682 3.247991 1.717897 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=30) 0 -23.335484 3.032193 -0.209128 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=30) 0 -23.879361 3.095457 -1.057533 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=30) 0 -23.716216 2.633931 0.644795 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=30) 0 -16.930337 4.621903 -4.918544 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=30) 0 -15.796868 5.073646 -4.749561 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=31) 0 -17.511219 4.593191 -6.122568 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=31) 0 -18.459358 4.219100 -6.170547 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=31) 0 -16.899117 5.194771 -7.330026 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=31) 0 -15.913902 4.741793 -7.458465 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=31) 0 -17.705817 4.850754 -8.600302 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=31) 0 -17.239139 5.335910 -9.458037 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=31) 0 -17.651652 3.772025 -8.755025 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=31) 0 -19.184627 5.259086 -8.533773 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=31) 0 -19.639203 4.728315 -7.707435 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=31) 0 -19.266221 6.329823 -8.352687 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=31) 0 -19.998269 4.886187 -9.775390 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=31) 0 -19.720302 3.885888 -10.106392 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=31) 0 -21.052035 4.861625 -9.494669 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=31) 0 -19.818117 5.894713 -10.912466 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=31) 0 -20.106453 6.887400 -10.553784 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=31) 0 -18.765741 5.919258 -11.209214 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=31) 0 -20.661220 5.519745 -12.066811 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=31) 0 -21.644594 5.449107 -11.812855 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=31) 0 -20.582223 6.178340 -12.838785 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=31) 0 -20.384249 4.607774 -12.426688 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=31) 0 -16.600195 6.700348 -7.184871 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=31) 0 -15.818937 7.236867 -7.964916 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=32) 0 -17.115351 7.371024 -6.149156 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=32) 0 -17.797305 6.906781 -5.569764 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=32) 0 -16.630306 8.677585 -5.685699 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=32) 0 -16.476772 9.320176 -6.553578 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=32) 0 -17.674084 9.361093 -4.791761 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=32) 0 -17.229953 10.247423 -4.337478 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=32) 0 -18.527600 9.670816 -5.388773 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=32) 0 -18.121462 8.501675 -3.766164 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=32) 0 -18.462224 9.073270 -3.039403 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=32) 0 -15.298224 8.614861 -4.921340 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=32) 0 -14.342597 9.273240 -5.333231 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=33) 0 -15.246430 7.881591 -3.802830 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=33) 0 -16.031745 7.263844 -3.646438 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=33) 0 -14.491441 8.264988 -2.597560 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=33) 0 -14.098996 9.267982 -2.762215 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=33) 0 -15.479496 8.351456 -1.412233 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=33) 0 -15.001028 8.894224 -0.602013 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=33) 0 -16.354587 8.922372 -1.710371 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=33) 0 -15.937629 7.006835 -0.857959 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=33) 0 -15.598959 5.939917 -1.340287 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=33) 0 -16.742539 6.993987 0.175716 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=33) 0 -17.036993 6.099663 0.519972 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=33) 0 -17.068276 7.861294 0.592315 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=33) 0 -13.262661 7.399103 -2.253923 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=33) 0 -12.760424 7.470993 -1.126458 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=34) 0 -12.810618 6.549469 -3.177607 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=34) 0 -13.302403 6.506869 -4.058673 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=34) 0 -11.810617 5.522416 -2.885004 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=34) 0 -12.139044 4.977744 -1.999237 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=34) 0 -11.754255 4.531606 -4.043414 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=34) 0 -12.744373 4.092663 -4.163090 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=34) 0 -11.503415 5.054796 -4.967289 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=34) 0 -10.748496 3.428211 -3.799757 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=34) 0 -11.087534 2.360875 -2.951924 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=34) 0 -12.069848 2.316804 -2.510386 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=34) 0 -10.151063 1.353563 -2.677126 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=34) 0 -10.413420 0.547282 -2.011394 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=34) 0 -8.880099 1.397830 -3.274215 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=34) 0 -8.158122 0.620809 -3.078567 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=34) 0 -8.546020 2.451359 -4.139490 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=34) 0 -7.579811 2.461604 -4.622171 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=34) 0 -9.472981 3.476984 -4.391202 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=34) 0 -9.209439 4.288451 -5.055444 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=34) 0 -10.417464 6.077869 -2.563437 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=34) 0 -9.884830 5.803758 -1.487279 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=35) 0 -9.830713 6.891809 -3.445960 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=35) 0 -10.274457 7.066604 -4.337627 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=35) 0 -8.520699 7.487999 -3.178327 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=35) 0 -7.818946 6.685524 -2.946027 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=35) 0 -8.026386 8.188205 -4.439856 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=35) 0 -8.671615 9.035037 -4.665607 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=35) 0 -7.008999 8.543320 -4.275024 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=35) 0 -8.024558 7.492472 -5.278218 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=35) 0 -8.550314 8.436233 -1.963030 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=35) 0 -7.576672 8.513448 -1.223633 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=36) 0 -9.690347 9.069027 -1.675872 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=36) 0 -10.442700 9.014485 -2.352964 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=36) 0 -9.938987 9.838875 -0.450990 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=36) 0 -9.158814 10.592243 -0.336885 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=36) 0 -11.282220 10.555559 -0.640440 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=36) 0 -11.168703 11.294668 -1.433812 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=36) 0 -12.014979 9.824865 -0.972649 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=36) 0 -11.870443 11.264148 0.579166 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=36) 0 -11.822452 10.628613 1.459581 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=36) 0 -11.306763 12.172648 0.786525 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=36) 0 -13.332674 11.584791 0.285392 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=36) 0 -13.601272 12.456475 -0.573522 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=36) 0 -14.233602 10.943981 0.879810 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=36) 0 -9.937793 8.958434 0.814819 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=36) 0 -9.559188 9.428858 1.891668 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=37) 0 -10.328758 7.684818 0.720161 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=37) 0 -10.646011 7.336891 -0.178465 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=37) 0 -10.205587 6.728816 1.819556 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=37) 0 -10.520593 7.203674 2.745701 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=37) 0 -11.138890 5.546565 1.578029 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=37) 0 -12.151672 5.916499 1.425848 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=37) 0 -10.819274 4.985258 0.702763 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=37) 0 -11.121396 4.887542 2.445235 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=37) 0 -8.751003 6.295622 2.017748 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=37) 0 -8.272875 6.307298 3.151698 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=38) 0 -8.015597 6.028651 0.931193 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=38) 0 -8.477520 6.029773 0.026537 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=38) 0 -6.567457 5.804511 0.995083 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=38) 0 -6.372329 4.959613 1.656276 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=38) 0 -6.006589 5.479951 -0.404479 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=38) 0 -6.137508 6.352037 -1.043742 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=38) 0 -4.937689 5.309308 -0.282241 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=38) 0 -6.565162 4.270936 -1.168862 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=38) 0 -7.582625 4.479984 -1.493650 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=38) 0 -5.687375 4.047474 -2.401241 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=38) 0 -4.660460 3.830074 -2.105223 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=38) 0 -6.072253 3.209369 -2.978228 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=38) 0 -5.693284 4.942870 -3.021272 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=38) 0 -6.565773 2.999259 -0.330643 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=38) 0 -7.286374 3.107944 0.470625 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=38) 0 -6.867763 2.153702 -0.948682 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=38) 0 -5.575097 2.824636 0.088768 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=38) 0 -5.835836 7.026898 1.590000 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=38) 0 -4.950049 6.883053 2.432504 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=39) 0 -6.225838 8.239247 1.198460 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=39) 0 -6.902501 8.301568 0.444860 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=39) 0 -5.625075 9.485817 1.664949 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=39) 0 -4.543034 9.364295 1.634735 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=39) 0 -5.995053 10.595387 0.678506 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=39) 0 -7.070543 10.760588 0.681897 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=39) 0 -5.485983 11.520605 0.951629 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=39) 0 -5.684158 10.306688 -0.325280 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=39) 0 -5.994324 9.849167 3.116114 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=39) 0 -5.380189 10.747476 3.693123 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=40) 0 -6.955561 9.152296 3.730808 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=40) 0 -7.460606 8.466051 3.187002 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=40) 0 -7.282088 9.267243 5.154554 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=40) 0 -6.851818 10.185094 5.559667 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=40) 0 -8.800867 9.380618 5.287219 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=40) 0 -9.277483 8.474763 4.911235 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=40) 0 -9.058435 9.515708 6.338089 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=40) 0 -9.157975 10.243219 4.724204 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=40) 0 -6.725918 8.098966 5.992470 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=40) 0 -6.343925 8.304735 7.143710 L N-N--0.415700(PDBName=N,ResName=HID,ResNum=41) 0 -6.634480 6.894540 5.418915 L H-H-0.271900(PDBName=H,ResName=HID,ResNum=41) 0 -6.990809 6.788928 4.475323 L C-CT-0.018800(PDBName=CA,ResName=HID,ResNum=41) 0 -6.214927 5.663456 6.093368 L H-H1-0.088100(PDBName=HA,ResName=HID,ResNum=41) 0 -5.915463 5.890699 7.114851 L C-CT--0.046200(PDBName=CB,ResName=HID,ResNum=41) 0 -7.405752 4.701031 6.166983 L H-HC-0.040200(PDBName=HB2,ResName=HID,ResNum=41) 0 -7.702110 4.418425 5.157360 L H-HC-0.040200(PDBName=HB3,ResName=HID,ResNum=41) 0 -7.096404 3.797492 6.692873 L C-CC--0.026600(PDBName=CG,ResName=HID,ResNum=41) 0 -8.596409 5.296815 6.872627 L N-NA--0.381100(PDBName=ND1,ResName=HID,ResNum=41) 0 -8.687343 5.583004 8.214413 L H-H-0.364900(PDBName=HD1,ResName=HID,ResNum=41) 0 -7.956037 5.444614 8.912188 L C-CR-0.205700(PDBName=CE1,ResName=HID,ResNum=41) 0 -9.895170 6.115083 8.447307 L H-H5-0.139200(PDBName=HE1,ResName=HID,ResNum=41) 0 -10.251573 6.419283 9.423612 L N-NB--0.572700(PDBName=NE2,ResName=HID,ResNum=41) 0 -10.593113 6.216566 7.301380 L C-CV-0.129200(PDBName=CD2,ResName=HID,ResNum=41) 0 -9.771003 5.694030 6.294970 L H-H4-0.114700(PDBName=HD2,ResName=HID,ResNum=41) 0 -10.010554 5.624763 5.242758 L C-C-0.597300(PDBName=C,ResName=HID,ResNum=41) 0 -5.012873 5.043963 5.372163 L O-O--0.567900(PDBName=O,ResName=HID,ResNum=41) 0 -5.150124 4.408087 4.324380 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=42) 0 -3.811988 5.257516 5.923810 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=42) 0 -3.791045 5.730075 6.824473 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=42) 0 -2.530946 5.068126 5.213013 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=42) 0 -2.615511 5.544003 4.235326 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=42) 0 -1.398589 5.779482 5.977211 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=42) 0 -1.574996 5.722473 7.052538 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=42) 0 -0.452980 5.271208 5.776704 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=42) 0 -1.219923 7.246697 5.550270 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=42) 0 -0.413801 7.673063 6.149079 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=42) 0 -0.906070 7.262570 4.505966 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=42) 0 -2.465362 8.136366 5.691852 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=42) 0 -3.245310 7.802714 5.005747 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=42) 0 -2.832332 8.097239 6.717882 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=42) 0 -2.071883 9.571622 5.344616 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=42) 0 -1.284714 9.892093 6.032977 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=42) 0 -1.654056 9.592089 4.335478 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=42) 0 -3.213801 10.506383 5.433889 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=42) 0 -3.640797 10.480767 6.354792 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=42) 0 -2.906087 11.464661 5.309205 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=42) 0 -3.918983 10.344159 4.722383 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=42) 0 -2.173723 3.615735 4.876368 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=42) 0 -1.308808 3.414071 4.027623 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=43) 0 -2.874677 2.637861 5.454519 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=43) 0 -3.580331 2.906822 6.121561 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=43) 0 -2.830560 1.222956 5.069970 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=43) 0 -2.330457 1.122567 4.104897 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=43) 0 -2.056411 0.401892 6.114202 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=43) 0 -2.666886 0.322246 7.010935 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=43) 0 -1.910835 -0.600971 5.720252 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=43) 0 -0.717335 0.988908 6.505466 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=43) 0 0.227846 1.276217 5.506449 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=43) 0 0.037295 1.002216 4.478316 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=43) 0 1.357033 2.047327 5.818773 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=43) 0 2.031337 2.342133 5.033800 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=43) 0 1.572463 2.491779 7.139101 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=43) 0 2.608992 3.322040 7.408224 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=43) 0 2.978189 3.644401 6.562198 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=43) 0 0.681630 2.109883 8.161193 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=43) 0 0.850557 2.442824 9.176338 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=43) 0 -0.471386 1.371132 7.839683 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=43) 0 -1.191214 1.155306 8.618068 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=43) 0 -4.255641 0.685331 4.932816 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=43) 0 -5.057259 0.830605 5.860858 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=44) 0 -4.572771 0.056742 3.799062 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=44) 0 -3.879643 -0.017684 3.056941 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=44) 0 -5.929676 -0.403193 3.503414 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=44) 0 -6.442424 -0.566005 4.449008 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=44) 0 -6.675759 0.701241 2.716803 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=44) 0 -5.981071 1.506697 2.471437 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=44) 0 -7.056765 0.306826 1.773093 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=44) 0 -7.840624 1.282218 3.533534 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=44) 0 -7.501021 1.469108 4.550718 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=44) 0 -8.325915 2.607879 2.952472 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=44) 0 -7.481804 3.289583 2.851516 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=44) 0 -8.797428 2.448624 1.983507 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=44) 0 -9.038449 3.066802 3.630552 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=44) 0 -9.024417 0.312160 3.556063 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=44) 0 -8.713831 -0.661713 3.924274 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=44) 0 -9.806637 0.695618 4.206909 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=44) 0 -9.413362 0.184483 2.546832 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=44) 0 -5.940882 -1.743562 2.765917 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=44) 0 -5.290901 -1.889758 1.733419 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=45) 0 -6.720640 -2.703560 3.269031 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=45) 0 -7.206568 -2.516116 4.140356 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=45) 0 -7.077091 -3.922575 2.537211 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=45) 0 -6.417039 -4.012850 1.677235 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=45) 0 -6.881134 -5.160071 3.433366 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=45) 0 -6.096502 -4.969112 4.163407 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=45) 0 -7.806952 -5.327514 3.976806 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=45) 0 -6.531166 -6.440317 2.653353 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=45) 0 -7.171733 -6.522143 1.777505 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=45) 0 -5.074969 -6.432094 2.199895 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=45) 0 -4.404386 -6.406676 3.056381 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=45) 0 -4.872774 -7.328236 1.621738 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=45) 0 -4.897945 -5.569100 1.570721 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=45) 0 -6.718608 -7.677814 3.526178 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=45) 0 -6.568636 -8.573260 2.924808 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=45) 0 -6.002745 -7.669245 4.346927 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=45) 0 -7.734285 -7.700646 3.919823 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=45) 0 -8.512112 -3.800767 2.006660 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=45) 0 -9.413922 -3.390324 2.732580 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=46) 0 -8.754729 -4.174207 0.754667 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=46) 0 -7.978909 -4.550470 0.220055 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=46) 0 -9.984675 -3.867070 0.012526 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=46) 0 -10.712334 -3.423361 0.688871 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=46) 0 -9.714228 -2.833005 -1.099164 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=46) 0 -9.118539 -3.295227 -1.886972 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=46) 0 -11.036572 -2.337449 -1.698713 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=46) 0 -11.634986 -1.834100 -0.940214 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=46) 0 -10.835808 -1.652536 -2.520744 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=46) 0 -11.609202 -3.175870 -2.098088 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=46) 0 -8.939441 -1.607941 -0.586207 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=46) 0 -7.965952 -1.905913 -0.198609 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=46) 0 -8.764480 -0.918514 -1.407996 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=46) 0 -9.496477 -1.104351 0.201153 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=46) 0 -10.591038 -5.141859 -0.569624 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=46) 0 -9.995321 -5.774546 -1.436821 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=47) 0 -11.773222 -5.492602 -0.074719 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=47) 0 -12.178998 -4.880352 0.623758 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=47) 0 -12.687373 -6.519923 -0.570386 L H-HC 1 0.0000 H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=47) 0 -12.118855 -7.378139 -0.930535 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=47) 0 -13.527799 -5.963174 -1.727692 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=47) 0 -14.070038 -4.862247 -1.645177 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=48) 0 -13.685765 -6.746505 -2.789667 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=48) 0 -13.161643 -7.614796 -2.809617 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=48) 0 -14.558136 -6.466659 -3.930116 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=48) 0 -15.179838 -5.599674 -3.717595 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=48) 0 -13.718411 -6.175702 -5.182013 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=48) 0 -13.200772 -7.087706 -5.457151 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=48) 0 -14.399389 -5.939799 -6.000570 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=48) 0 -12.677032 -5.073072 -5.075993 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=48) 0 -12.949992 -3.797406 -5.595857 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=48) 0 -13.924513 -3.594916 -6.005793 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=48) 0 -11.965616 -2.792720 -5.588814 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=48) 0 -12.183264 -1.817620 -6.001345 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=48) 0 -10.696811 -3.060972 -5.048008 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=48) 0 -9.937735 -2.290749 -5.037167 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=48) 0 -10.425610 -4.328763 -4.504653 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=48) 0 -9.465821 -4.536129 -4.060576 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=48) 0 -11.409928 -5.331430 -4.520566 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=48) 0 -11.190730 -6.298634 -4.094672 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=48) 0 -15.461427 -7.686252 -4.140101 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=48) 0 -14.957915 -8.782331 -4.409397 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=49) 0 -16.776397 -7.529620 -3.964056 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=49) 0 -17.144864 -6.592529 -3.823643 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=49) 0 -17.659253 -8.658265 -3.644775 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=49) 0 -17.149163 -9.580206 -3.920241 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=49) 0 -17.881418 -8.709985 -2.124522 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=49) 0 -18.296978 -9.682313 -1.876385 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=49) 0 -16.916597 -8.644713 -1.621588 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=49) 0 -18.811899 -7.661997 -1.544409 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=49) 0 -20.137352 -8.012334 -1.217057 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=49) 0 -20.495569 -9.012480 -1.411724 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=49) 0 -20.991003 -7.063472 -0.625061 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=49) 0 -22.009363 -7.316389 -0.384137 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=49) 0 -20.522542 -5.757983 -0.373153 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=49) 0 -21.326456 -4.860241 0.248999 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=49) 0 -20.981493 -3.953804 0.135313 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=49) 0 -19.212147 -5.393683 -0.741304 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=49) 0 -18.867326 -4.387286 -0.566498 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=49) 0 -18.351447 -6.352972 -1.306713 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=49) 0 -17.333970 -6.085870 -1.554500 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=49) 0 -18.992961 -8.668668 -4.400198 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=49) 0 -19.517008 -7.624914 -4.787056 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=50) 0 -19.552925 -9.871135 -4.566801 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=50) 0 -19.067514 -10.672181 -4.179747 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=50) 0 -20.883842 -10.108844 -5.123899 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=50) 0 -21.291082 -9.159364 -5.471824 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=50) 0 -20.763115 -11.029965 -6.342787 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=50) 0 -20.165470 -10.545995 -7.115640 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=50) 0 -20.284068 -11.967564 -6.060485 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=50) 0 -21.751815 -11.241201 -6.752859 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=50) 0 -21.808309 -10.692603 -4.033090 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=50) 0 -21.465090 -11.717398 -3.422149 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=51) 0 -22.987279 -10.088809 -3.777801 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=51) 0 -23.680193 -9.161573 -4.664165 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=51) 0 -23.587658 -9.454291 -5.711361 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=51) 0 -23.295044 -8.150286 -4.517910 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=51) 0 -25.140879 -9.229456 -4.232426 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=51) 0 -25.614954 -10.113331 -4.660358 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=51) 0 -25.696198 -8.335604 -4.507809 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=51) 0 -25.004080 -9.388661 -2.718362 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=51) 0 -25.907211 -9.815457 -2.281577 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=51) 0 -24.791289 -8.416267 -2.270368 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=51) 0 -23.782579 -10.307446 -2.558702 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=51) 0 -23.213161 -9.997262 -1.682172 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=51) 0 -24.216415 -11.765714 -2.361023 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=51) 0 -24.328930 -12.260546 -1.237700 L N-N--0.415700(PDBName=N,ResName=TRP,ResNum=52) 0 -24.426453 -12.493608 -3.455256 L H-H-0.271900(PDBName=H,ResName=TRP,ResNum=52) 0 -24.376543 -12.028384 -4.353466 L C-CT--0.005000(PDBName=CB,ResName=TRP,ResNum=52) 0 -25.896107 -14.031614 -4.601785 L H-HC-0.033900(PDBName=HB2,ResName=TRP,ResNum=52) 0 -26.198413 -15.077064 -4.681796 L H-HC-0.033900(PDBName=HB3,ResName=TRP,ResNum=52) 0 -26.793149 -13.453816 -4.371555 L C-C*--0.141500(PDBName=CG,ResName=TRP,ResNum=52) 0 -25.370071 -13.577845 -5.925762 L C-CW--0.163800(PDBName=CD1,ResName=TRP,ResNum=52) 0 -25.744179 -12.468489 -6.605272 L H-H4-0.206200(PDBName=HD1,ResName=TRP,ResNum=52) 0 -26.528603 -11.778940 -6.310252 L N-NA--0.341800(PDBName=NE1,ResName=TRP,ResNum=52) 0 -24.992229 -12.358199 -7.758695 L H-H-0.341200(PDBName=HE1,ResName=TRP,ResNum=52) 0 -25.152179 -11.642812 -8.466918 L C-CN-0.138000(PDBName=CE2,ResName=TRP,ResNum=52) 0 -24.120264 -13.415720 -7.897302 L C-CA--0.260100(PDBName=CZ2,ResName=TRP,ResNum=52) 0 -23.208629 -13.791014 -8.890234 L H-HA-0.157200(PDBName=HZ2,ResName=TRP,ResNum=52) 0 -23.101400 -13.207359 -9.795025 L C-CA--0.113400(PDBName=CH2,ResName=TRP,ResNum=52) 0 -22.518503 -15.003910 -8.748693 L H-HA-0.141700(PDBName=HH2,ResName=TRP,ResNum=52) 0 -21.871409 -15.353828 -9.535763 L C-CA--0.197200(PDBName=CZ3,ResName=TRP,ResNum=52) 0 -22.675863 -15.780681 -7.594142 L H-HA-0.144700(PDBName=HZ3,ResName=TRP,ResNum=52) 0 -22.102651 -16.687558 -7.481030 L C-CA--0.238700(PDBName=CE3,ResName=TRP,ResNum=52) 0 -23.620182 -15.418349 -6.626264 L H-HA-0.170000(PDBName=HE3,ResName=TRP,ResNum=52) 0 -23.827491 -16.098228 -5.821743 L C-CB-0.124300(PDBName=CD2,ResName=TRP,ResNum=52) 0 -24.355841 -14.222174 -6.746338 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=57) 0 -20.245452 -14.716715 2.230982 L H-H 153 0.0000 H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=57) 0 -20.484403 -13.729726 2.630918 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=57) 0 -21.550462 -15.486916 2.019453 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=57) 0 -21.304324 -16.456280 1.586041 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=57) 0 -22.009662 -15.665627 2.991527 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=57) 0 -22.590849 -14.775514 1.134538 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=57) 0 -23.020101 -13.926337 1.668098 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=57) 0 -22.148333 -14.430006 0.201885 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=57) 0 -23.669726 -15.814670 0.834282 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=57) 0 -23.193227 -16.662326 0.341297 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=57) 0 -24.093926 -16.144768 1.783502 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=57) 0 -24.816007 -15.346519 -0.053180 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=57) 0 -25.468455 -14.684660 0.525598 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=57) 0 -24.419371 -14.777002 -0.894939 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=57) 0 -25.580627 -16.522052 -0.538947 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=57) 0 -25.099460 -17.004965 -1.296772 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=57) 0 -25.693273 -17.210506 0.201937 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=57) 0 -26.497986 -16.235549 -0.874759 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=57) 0 -19.361348 -15.420219 3.282905 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=57) 0 -19.696843 -15.384330 4.473657 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=58) 0 -18.237092 -16.028334 2.874779 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=58) 0 -18.063348 -16.108145 1.880269 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=58) 0 -17.189797 -16.503443 3.778605 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=58) 0 -17.652559 -16.943383 4.660844 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=58) 0 -16.392858 -17.618719 3.089603 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=58) 0 -17.067444 -18.404631 2.748315 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=58) 0 -15.836788 -17.226898 2.239759 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=58) 0 -15.685046 -18.050205 3.799467 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=58) 0 -16.288106 -15.346951 4.252479 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=58) 0 -16.002306 -15.259312 5.445560 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=59) 0 -15.907339 -14.437815 3.342159 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=59) 0 -16.177707 -14.584530 2.377943 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=59) 0 -15.028484 -13.297626 3.632774 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=59) 0 -14.189619 -13.661195 4.229504 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=59) 0 -14.486882 -12.733864 2.304806 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=59) 0 -15.327753 -12.344176 1.732405 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=59) 0 -14.044727 -13.539466 1.723551 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=59) 0 -13.448244 -11.603045 2.469935 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=59) 0 -13.860652 -10.801180 3.080449 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=59) 0 -12.146430 -12.102454 3.099443 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=59) 0 -11.741627 -12.925829 2.518408 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=59) 0 -12.321789 -12.423349 4.126907 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=59) 0 -11.411958 -11.298847 3.114632 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=59) 0 -13.095728 -11.028871 1.102863 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=59) 0 -12.603094 -11.781563 0.492261 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=59) 0 -14.007214 -10.694238 0.610052 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=59) 0 -12.440409 -10.166944 1.230278 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=59) 0 -15.707585 -12.182691 4.442747 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=59) 0 -15.137135 -11.721581 5.423347 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=60) 0 -16.905701 -11.734950 4.058908 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=60) 0 -17.308768 -12.128200 3.219377 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=60) 0 -17.457052 -10.463549 4.545298 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=60) 0 -16.758327 -9.684426 4.232888 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=60) 0 -18.776115 -10.174262 3.813878 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=60) 0 -19.161585 -9.205775 4.135186 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=60) 0 -18.590628 -10.127350 2.739519 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=60) 0 -19.520265 -10.940699 4.017242 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=60) 0 -17.574200 -10.337185 6.089802 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=60) 0 -17.178388 -9.290253 6.615491 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=61) 0 -18.014269 -11.369728 6.850239 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=61) 0 -18.651171 -12.599461 6.402121 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=61) 0 -17.901221 -13.388060 6.320458 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=61) 0 -19.174651 -12.482848 5.456435 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=61) 0 -19.646955 -12.943323 7.503228 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=61) 0 -19.896205 -14.004581 7.509059 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=61) 0 -20.544249 -12.331867 7.393687 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=61) 0 -18.888707 -12.528794 8.762077 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=61) 0 -18.237051 -13.348901 9.070687 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=61) 0 -19.570979 -12.265698 9.571528 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=61) 0 -18.050366 -11.319905 8.320604 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=61) 0 -18.558095 -10.405164 8.629741 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=61) 0 -16.659002 -11.367506 8.975180 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=61) 0 -16.480179 -10.899526 10.102380 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=62) 0 -15.666553 -11.913022 8.268808 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=62) 0 -15.862799 -12.233735 7.328697 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=62) 0 -14.263742 -11.957544 8.691102 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=62) 0 -14.225164 -12.078612 9.769215 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=62) 0 -13.558826 -13.157823 8.045044 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=62) 0 -13.733751 -13.162729 6.970607 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=62) 0 -12.485467 -13.064033 8.207376 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=62) 0 -14.044682 -14.487633 8.638875 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=62) 0 -15.122042 -14.580953 8.486024 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=62) 0 -13.563035 -15.307370 8.102531 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=62) 0 -13.722663 -14.607477 10.133539 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=62) 0 -14.352222 -15.432001 10.835475 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=62) 0 -12.818797 -13.904093 10.631826 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=62) 0 -13.531981 -10.651554 8.380883 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=62) 0 -12.747303 -10.177800 9.198167 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=63) 0 -13.889281 -9.988398 7.280611 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=63) 0 -14.490206 -10.464765 6.616306 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=63) 0 -13.553392 -8.588700 7.028707 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=63) 0 -12.467433 -8.489116 7.048309 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=63) 0 -14.068400 -8.184485 5.635838 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=63) 0 -14.607694 -9.008954 5.167954 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=63) 0 -14.771818 -7.356053 5.729980 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=63) 0 -12.942795 -7.781524 4.714501 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=63) 0 -11.951413 -8.721192 4.377105 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=63) 0 -12.036146 -9.734409 4.741123 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=63) 0 -10.856527 -8.338889 3.580909 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=63) 0 -10.088029 -9.048210 3.314245 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=63) 0 -10.766660 -7.009708 3.125760 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=63) 0 -9.731094 -6.617545 2.354428 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=63) 0 -9.856705 -5.711687 2.064478 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=63) 0 -11.756831 -6.070837 3.463257 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=63) 0 -11.673694 -5.059049 3.112762 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=63) 0 -12.855523 -6.461271 4.244443 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=63) 0 -13.636826 -5.753662 4.474623 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=63) 0 -14.103262 -7.676427 8.133399 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=63) 0 -13.389728 -6.803307 8.627960 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=64) 0 -15.327008 -7.938168 8.604570 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=64) 0 -15.895857 -8.616584 8.111170 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=64) 0 -15.889925 -7.270007 9.773606 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=64) 0 -15.783316 -6.193470 9.631361 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=64) 0 -17.390858 -7.571250 9.832853 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=64) 0 -17.570794 -8.641808 9.867143 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=64) 0 -17.823692 -7.118851 10.722593 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=64) 0 -17.882239 -7.160269 8.950190 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=64) 0 -15.137124 -7.615282 11.079121 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=64) 0 -14.823459 -6.694494 11.839927 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=65) 0 -14.759482 -8.882905 11.331498 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=65) 0 -15.068808 -9.612050 10.696093 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=65) 0 -13.914376 -9.252865 12.492152 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=65) 0 -14.396143 -8.905979 13.407999 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=65) 0 -13.691193 -10.775772 12.597398 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=65) 0 -13.674500 -11.208345 11.600826 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=65) 0 -12.714142 -10.931901 13.053520 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=65) 0 -14.681517 -11.548388 13.478832 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=65) 0 -14.542026 -11.244137 14.517108 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=65) 0 -15.697552 -11.301602 13.178781 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=65) 0 -14.510672 -13.076855 13.369820 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=65) 0 -15.159985 -13.552169 14.105389 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=65) 0 -14.864886 -13.370649 12.381736 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=65) 0 -13.071807 -13.602537 13.555204 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=65) 0 -12.420742 -13.069299 12.857451 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=65) 0 -12.731847 -13.410403 14.575740 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=65) 0 -12.986542 -15.049957 13.238482 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=65) 0 -13.375700 -15.200944 12.302968 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=65) 0 -12.033780 -15.392746 13.193817 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=65) 0 -13.509777 -15.608679 13.903702 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=65) 0 -12.553294 -8.555463 12.432837 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=65) 0 -12.096384 -8.067032 13.461574 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=66) 0 -11.929989 -8.468159 11.256488 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=66) 0 -12.343914 -8.953173 10.466837 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=66) 0 -10.653649 -7.789576 11.039108 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=66) 0 -9.926588 -8.167789 11.758239 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=66) 0 -10.145354 -8.127614 9.633663 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=66) 0 -9.187483 -7.635312 9.463931 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=66) 0 -10.010508 -9.202642 9.535248 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=66) 0 -10.860023 -7.794909 8.881170 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=66) 0 -10.764811 -6.271183 11.242806 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=66) 0 -9.903545 -5.681173 11.892348 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=67) 0 -11.838068 -5.640490 10.754786 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=67) 0 -12.480624 -6.159443 10.163319 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=67) 0 -12.097669 -4.218099 10.968366 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=67) 0 -11.222389 -3.652070 10.662417 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=67) 0 -13.281824 -3.791157 10.099342 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=67) 0 -13.447914 -2.722223 10.219195 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=67) 0 -13.063676 -3.999530 9.055117 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=67) 0 -14.184816 -4.329356 10.389482 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=67) 0 -12.333977 -3.884293 12.444192 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=67) 0 -11.752926 -2.920897 12.949813 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=68) 0 -13.122894 -4.710365 13.138857 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=68) 0 -13.563066 -5.475639 12.639171 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=68) 0 -13.358515 -4.602365 14.577763 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=68) 0 -13.758047 -3.614697 14.809073 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=68) 0 -14.088610 -5.354888 14.876585 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=68) 0 -12.077584 -4.821263 15.383550 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=68) 0 -11.767785 -4.001268 16.246424 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=69) 0 -11.299330 -5.857939 15.033592 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=69) 0 -11.655785 -6.487621 14.321924 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=69) 0 -9.981603 -6.177097 15.603079 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=69) 0 -10.091679 -6.343499 16.676648 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=69) 0 -9.419812 -7.464310 14.971133 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=69) 0 -9.999779 -8.307185 15.339012 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=69) 0 -9.535528 -7.418637 13.889631 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=69) 0 -7.930460 -7.705451 15.271492 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=69) 0 -7.331452 -7.008267 14.684341 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=69) 0 -7.734453 -7.520305 16.328741 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=69) 0 -7.504282 -9.131460 14.897022 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=69) 0 -8.170253 -9.534073 14.131925 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=69) 0 -6.495340 -9.111800 14.483645 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=69) 0 -7.524604 -10.042978 16.124706 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=69) 0 -8.392293 -9.800180 16.744216 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=69) 0 -7.619305 -11.078170 15.785891 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=69) 0 -6.270982 -9.906021 16.900307 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=69) 0 -5.502932 -10.255575 16.334209 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=69) 0 -6.036875 -8.930168 17.099648 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=69) 0 -6.296063 -10.452642 17.755455 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=69) 0 -9.010582 -5.020802 15.457865 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=69) 0 -8.587362 -4.481238 16.467174 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=70) 0 -8.677753 -4.600312 14.237643 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=70) 0 -9.082752 -5.065330 13.432567 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=70) 0 -7.668433 -3.559269 14.029525 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=70) 0 -6.762469 -3.862922 14.551167 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=70) 0 -7.354873 -3.433653 12.526462 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=70) 0 -8.286156 -3.474257 11.959287 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=70) 0 -6.899240 -2.463221 12.333690 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=70) 0 -6.388977 -4.525558 12.022890 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=70) 0 -6.749358 -5.505918 12.333229 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=70) 0 -6.310215 -4.495235 10.497019 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=70) 0 -6.203907 -3.470511 10.146841 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=70) 0 -5.470649 -5.090581 10.141761 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=70) 0 -7.221815 -4.921316 10.093626 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=70) 0 -4.967325 -4.330091 12.552672 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=70) 0 -4.614744 -3.334760 12.295219 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=70) 0 -4.943642 -4.446236 13.634013 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=70) 0 -4.301399 -5.076546 12.123870 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=70) 0 -8.086414 -2.230977 14.676576 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=70) 0 -7.245511 -1.542898 15.253915 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=71) 0 -9.387179 -1.914787 14.699928 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=71) 0 -10.040490 -2.523482 14.220652 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=71) 0 -9.902913 -0.724717 15.386521 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=71) 0 -9.264195 0.115958 15.110281 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=71) 0 -11.309138 -0.436330 14.849179 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=71) 0 -11.236387 -0.371603 13.762638 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=71) 0 -11.972792 -1.266262 15.098024 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=71) 0 -11.928083 0.870604 15.361045 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=71) 0 -12.284930 0.723232 16.378879 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=71) 0 -11.181665 1.662658 15.353955 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=71) 0 -13.093695 1.265950 14.443370 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=71) 0 -12.701224 1.713452 13.528374 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=71) 0 -13.633184 0.360344 14.169270 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=71) 0 -14.108804 2.212538 15.086701 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=71) 0 -14.912317 2.391777 14.369278 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=71) 0 -14.555733 1.715704 15.952887 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=71) 0 -13.539886 3.512647 15.506516 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=71) 0 -13.068930 4.006988 14.755062 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=71) 0 -14.308267 4.092249 15.843999 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=71) 0 -12.919738 3.385124 16.301234 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=71) 0 -9.812536 -0.846898 16.913505 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=71) 0 -9.465729 0.143727 17.556494 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=72) 0 -10.016491 -2.033641 17.488831 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=72) 0 -10.316247 -2.805215 16.903851 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=72) 0 -9.824699 -2.312144 18.916592 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=72) 0 -10.270806 -1.500897 19.492521 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=72) 0 -10.583698 -3.597757 19.260892 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=72) 0 -10.152860 -4.446045 18.726904 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=72) 0 -10.523096 -3.784319 20.332167 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=72) 0 -11.633528 -3.496366 18.985788 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=72) 0 -8.335148 -2.392057 19.317436 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=72) 0 -7.948706 -1.875837 20.367317 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=73) 0 -7.468694 -2.913699 18.446488 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=73) 0 -7.859506 -3.387810 17.637779 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=73) 0 -5.998863 -2.872334 18.540913 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=73) 0 -5.703481 -3.233582 19.523760 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=73) 0 -5.373995 -3.818849 17.492105 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=73) 0 -5.758144 -3.555720 16.507911 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=73) 0 -4.295120 -3.661594 17.482598 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=73) 0 -5.627026 -5.317000 17.764908 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=73) 0 -5.236195 -5.557242 18.753330 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=73) 0 -6.697847 -5.514202 17.786663 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=73) 0 -4.967123 -6.253850 16.735266 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=73) 0 -4.374195 -5.772605 15.743315 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=73) 0 -5.013660 -7.495517 16.927382 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=73) 0 -5.427063 -1.440044 18.401421 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=73) 0 -4.212067 -1.238407 18.492144 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=74) 0 -6.285470 -0.432019 18.196373 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=74) 0 -7.265064 -0.665600 18.120543 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=74) 0 -5.913827 0.979920 18.073324 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=74) 0 -6.808757 1.589806 18.192881 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=74) 0 -5.212999 1.236101 18.868249 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=74) 0 -5.267442 1.336662 16.731797 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=74) 0 -4.728147 2.434140 16.587215 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=75) 0 -5.312545 0.434621 15.752725 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=75) 0 -5.865498 -0.402950 15.903128 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=75) 0 -4.561076 0.514438 14.503149 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=75) 0 -3.531161 0.777368 14.744535 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=75) 0 -4.548530 -0.850587 13.819935 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=75) 0 -4.279487 -1.629842 14.534515 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=75) 0 -5.538079 -1.061315 13.417893 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=75) 0 -3.616317 -0.831600 12.764514 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=75) 0 -2.790959 -1.247576 13.099197 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=75) 0 -5.104663 1.546589 13.519398 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=75) 0 -6.316280 1.686874 13.321353 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=76) 0 -4.183689 2.216384 12.835957 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=76) 0 -3.210266 2.056642 13.090038 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=76) 0 -4.423059 3.057334 11.665100 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=76) 0 -5.289867 3.685161 11.875218 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=76) 0 -3.212180 3.992400 11.466451 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=76) 0 -3.515795 4.779072 10.777444 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=76) 0 -2.980022 4.479783 12.414666 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=76) 0 -1.925749 3.356631 10.897329 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=76) 0 -2.149051 2.954837 9.907143 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=76) 0 -1.192060 4.153368 10.758834 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=76) 0 -1.290787 2.258375 11.769132 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=76) 0 -1.410739 2.316054 13.017647 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=76) 0 -0.695379 1.323416 11.192739 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=76) 0 -4.750879 2.256803 10.387403 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=76) 0 -5.278183 2.833750 9.433459 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=77) 0 -4.474939 0.945882 10.366351 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=77) 0 -4.067382 0.532085 11.200271 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=77) 0 -4.796967 0.036433 9.255913 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=77) 0 -4.461177 0.492010 8.326513 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=77) 0 -4.106549 -1.338354 9.434889 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=77) 0 -4.589525 -1.831402 10.278742 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=77) 0 -4.323448 -2.204164 8.177829 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=77) 0 -5.383482 -2.407346 8.024698 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=77) 0 -3.929255 -1.700999 7.295761 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=77) 0 -3.819313 -3.159564 8.294807 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=77) 0 -2.596150 -1.271443 9.753183 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=77) 0 -2.032052 -1.051317 8.849862 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=77) 0 -2.397081 -0.476835 10.466238 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=77) 0 -2.078802 -2.572806 10.383790 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=77) 0 -2.056902 -3.378273 9.652100 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=77) 0 -1.076046 -2.412026 10.772041 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=77) 0 -2.708717 -2.868528 11.218233 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=77) 0 -6.313269 -0.175984 9.190447 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=77) 0 -6.926916 -0.484745 10.215247 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=78) 0 -6.920182 -0.069898 8.000663 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=78) 0 -6.343315 0.170438 7.197423 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=78) 0 -8.363347 -0.300163 7.782377 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=78) 0 -8.801409 -0.678568 8.707361 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=78) 0 -9.072183 1.024291 7.424831 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=78) 0 -8.664772 1.401388 6.488404 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=78) 0 -10.133391 0.829933 7.264664 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=78) 0 -8.948921 2.138199 8.478091 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=78) 0 -7.905803 2.444977 8.551821 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=78) 0 -9.529666 2.993100 8.136822 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=78) 0 -9.436049 1.746260 9.877471 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=78) 0 -8.912213 0.853324 10.192809 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=78) 0 -9.166214 2.527639 10.584048 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=78) 0 -10.884789 1.482420 9.929674 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=78) 0 -11.155040 0.508021 10.014859 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=78) 0 -11.838189 2.380921 10.067729 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=78) 0 -11.572473 3.636905 10.252976 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=78) 0 -10.617149 3.928250 10.447390 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=78) 0 -12.320859 4.272367 10.465482 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=78) 0 -13.090108 2.034443 10.027096 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=78) 0 -13.338117 1.087829 9.758320 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=78) 0 -13.816786 2.749060 10.024390 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=78) 0 -8.652902 -1.392746 6.750290 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=78) 0 -7.777675 -1.836267 6.007841 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=79) 0 -9.917455 -1.806127 6.717202 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=79) 0 -10.564368 -1.365497 7.352241 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=79) 0 -10.496446 -2.771162 5.783486 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=79) 0 -9.748421 -3.091070 5.062112 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=79) 0 -11.037194 -4.002125 6.538706 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=79) 0 -11.818458 -3.667579 7.219362 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=79) 0 -11.523713 -4.646279 5.809998 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=79) 0 -10.061282 -4.885741 7.334755 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=79) 0 -10.638995 -5.725996 7.717558 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=79) 0 -8.934357 -5.441592 6.472973 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=79) 0 -9.355299 -6.037481 5.662626 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=79) 0 -8.338970 -4.625248 6.067006 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=79) 0 -8.288527 -6.069555 7.082822 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=79) 0 -9.431049 -4.181283 8.534646 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=79) 0 -8.492757 -3.701220 8.259480 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=79) 0 -10.108926 -3.428940 8.926195 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=79) 0 -9.238020 -4.920588 9.306447 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=79) 0 -11.652370 -2.083831 5.050310 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=79) 0 -12.428453 -1.389964 5.700385 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=80) 0 -11.803223 -2.280070 3.743100 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=80) 0 -11.108042 -2.845882 3.267806 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=80) 0 -12.856958 -1.679749 2.918337 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=80) 0 -13.591525 -1.202179 3.560176 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=80) 0 -12.220503 -0.610754 2.030299 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=80) 0 -11.792682 0.177625 2.646252 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=80) 0 -11.438196 -1.059273 1.420451 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=80) 0 -12.980256 -0.189407 1.375035 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=80) 0 -13.598775 -2.716543 2.062908 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=80) 0 -12.985046 -3.690398 1.649674 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=81) 0 -14.878568 -2.485262 1.746873 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=81) 0 -15.288182 -1.619855 2.081384 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=81) 0 -15.721208 -3.344615 0.902099 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=81) 0 -15.079359 -4.113971 0.469708 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=81) 0 -16.762636 -4.101103 1.751985 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=81) 0 -17.237697 -4.854752 1.125299 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=81) 0 -16.235719 -4.634254 2.541145 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=81) 0 -17.851273 -3.220821 2.391890 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=81) 0 -17.385935 -2.493632 3.057845 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=81) 0 -18.384340 -2.682027 1.609535 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=81) 0 -16.332595 -2.575480 -0.274575 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=81) 0 -16.878855 -1.477798 -0.114043 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=82) 0 -16.253424 -3.168774 -1.461626 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=82) 0 -15.696449 -4.017647 -1.505118 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=82) 0 -16.684908 -2.599738 -2.744521 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=82) 0 -17.111652 -1.616245 -2.583339 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=82) 0 -15.491545 -2.396401 -3.690728 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=82) 0 -15.025763 -3.357007 -3.894433 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=82) 0 -15.962582 -1.785790 -5.018019 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=82) 0 -16.519366 -0.868828 -4.830412 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=82) 0 -15.104087 -1.576261 -5.651438 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=82) 0 -16.608059 -2.487119 -5.546353 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=82) 0 -14.443782 -1.471767 -3.056638 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=82) 0 -14.912722 -0.547594 -2.722660 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=82) 0 -13.985678 -1.970120 -2.202363 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=82) 0 -13.655750 -1.249703 -3.775048 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=82) 0 -17.746549 -3.487720 -3.383877 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=82) 0 -17.463445 -4.619121 -3.779614 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=83) 0 -18.964047 -2.961941 -3.503822 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=83) 0 -19.133779 -2.032048 -3.139586 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=83) 0 -20.092642 -3.688989 -4.084479 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=83) 0 -20.101614 -4.698051 -3.664619 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=83) 0 -21.402298 -3.005507 -3.669815 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=83) 0 -21.367871 -2.770701 -2.610627 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=83) 0 -21.529323 -2.070746 -4.218508 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=83) 0 -22.595000 -3.917546 -3.921076 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=83) 0 -22.744041 -4.366584 -5.075713 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=83) 0 -23.370681 -4.181135 -2.972610 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=83) 0 -19.958434 -3.806115 -5.614873 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=83) 0 -20.056404 -2.815807 -6.350888 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=84) 0 -19.737605 -5.023932 -6.112731 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=84) 0 -19.678072 -5.814724 -5.476735 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=84) 0 -19.514014 -5.271374 -7.533376 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=84) 0 -18.879936 -4.467723 -7.909645 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=84) 0 -18.726447 -6.575709 -7.695660 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=84) 0 -18.398434 -6.669256 -8.730652 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=84) 0 -17.848969 -6.566300 -7.047476 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=84) 0 -19.358174 -7.427648 -7.440402 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=84) 0 -20.798060 -5.245790 -8.388068 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=84) 0 -20.693917 -5.365500 -9.612207 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=85) 0 -21.987887 -5.075619 -7.799073 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=85) 0 -22.034949 -5.005851 -6.782505 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=85) 0 -23.261400 -4.939719 -8.532920 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=85) 0 -23.084619 -5.080770 -9.598891 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=85) 0 -24.280144 -6.020549 -8.124981 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=85) 0 -25.156846 -5.929157 -8.765517 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=85) 0 -23.732392 -7.442885 -8.247591 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=85) 0 -22.886622 -7.589358 -7.576770 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=85) 0 -24.517503 -8.153518 -7.989161 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=85) 0 -23.424286 -7.626191 -9.275294 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=85) 0 -24.692479 -5.863897 -6.792389 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=85) 0 -25.413792 -5.197658 -6.814001 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=85) 0 -23.866155 -3.539452 -8.391237 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=85) 0 -24.470435 -3.041606 -9.341922 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=86) 0 -23.685236 -2.854428 -7.255534 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=86) 0 -23.264910 -3.356735 -6.471837 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=86) 0 -24.257808 -1.517566 -7.009488 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=86) 0 -25.056277 -1.341947 -7.729761 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=86) 0 -24.902680 -1.421226 -5.615427 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=86) 0 -24.120112 -1.409775 -4.855437 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=86) 0 -25.430861 -0.468362 -5.559439 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=86) 0 -25.900227 -2.538554 -5.271858 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=86) 0 -25.337959 -3.393494 -4.903299 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=86) 0 -26.548779 -2.193483 -4.464067 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=86) 0 -26.754696 -2.984394 -6.461348 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=86) 0 -27.451548 -2.146553 -7.083118 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=86) 0 -26.697552 -4.175094 -6.843651 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=86) 0 -23.275249 -0.359974 -7.223415 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=86) 0 -23.687469 0.682659 -7.734990 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=87) 0 -21.987643 -0.514937 -6.894702 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=87) 0 -21.688942 -1.395059 -6.486341 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=87) 0 -20.956687 0.470110 -7.262764 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=87) 0 -21.415364 1.451838 -7.385135 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=87) 0 -19.868815 0.592858 -6.179521 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=87) 0 -19.460226 -0.388059 -5.944767 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=87) 0 -19.051357 1.200804 -6.571299 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=87) 0 -20.379178 1.242116 -4.888432 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=87) 0 -21.165178 0.620074 -4.454801 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=87) 0 -19.557550 1.288377 -4.172699 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=87) 0 -20.904258 2.657136 -5.144170 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=87) 0 -22.094700 2.921621 -4.862833 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=87) 0 -20.138198 3.514589 -5.643094 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=87) 0 -20.340549 0.134081 -8.620023 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=87) 0 -20.283346 1.007134 -9.488516 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=88) 0 -19.941357 -1.131431 -8.812670 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=88) 0 -20.053466 -1.756177 -8.017303 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=88) 0 -19.361037 -1.719733 -10.034564 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=88) 0 -19.103077 -2.751301 -9.796801 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=88) 0 -20.429368 -1.783518 -11.133312 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=88) 0 -21.308057 -2.312350 -10.759463 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=88) 0 -20.724022 -0.772870 -11.419085 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=88) 0 -19.928112 -2.457448 -12.268230 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=88) 0 -20.547259 -2.263226 -13.007728 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=88) 0 -18.061810 -1.062638 -10.533406 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=88) 0 -17.005341 -1.693587 -10.538563 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=89) 0 -18.098841 0.221789 -10.886700 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=89) 0 -18.987934 0.693393 -10.768118 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=89) 0 -17.005767 0.962331 -11.525195 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=89) 0 -16.695432 0.417716 -12.416651 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=89) 0 -17.496329 2.354147 -11.932503 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=89) 0 -17.823939 2.893260 -11.043484 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=89) 0 -16.666471 2.904058 -12.375078 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=89) 0 -18.620915 2.308297 -12.953077 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=89) 0 -18.492601 1.578825 -13.957151 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=89) 0 -19.615333 3.051812 -12.779594 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=89) 0 -15.770721 1.136572 -10.641224 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=89) 0 -14.674918 1.352496 -11.159054 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=90) 0 -15.925650 1.031923 -9.318850 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=90) 0 -16.858619 0.884918 -8.964892 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=90) 0 -14.796100 0.985630 -8.393747 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=90) 0 -14.075818 1.739242 -8.703290 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=90) 0 -15.287166 1.344460 -6.979648 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=90) 0 -15.707314 2.350148 -6.998802 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=90) 0 -16.076574 0.651509 -6.688616 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=90) 0 -14.166031 1.294712 -5.926147 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=90) 0 -13.783371 0.278653 -5.852340 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=90) 0 -13.009742 2.221833 -6.277198 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=90) 0 -13.354063 3.252959 -6.360406 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=90) 0 -12.257507 2.136245 -5.500951 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=90) 0 -12.543666 1.923130 -7.213471 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=90) 0 -14.683296 1.703805 -4.550402 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=90) 0 -13.927349 1.477287 -3.801004 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=90) 0 -14.887414 2.768968 -4.530495 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=90) 0 -15.595403 1.161208 -4.311865 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=90) 0 -14.069154 -0.367383 -8.455172 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=90) 0 -12.843218 -0.413968 -8.417865 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=91) 0 -14.808068 -1.466018 -8.613357 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=91) 0 -15.801417 -1.367695 -8.766791 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=91) 0 -14.228031 -2.796749 -8.752070 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=91) 0 -13.450421 -2.916512 -8.001260 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=91) 0 -15.336835 -3.825490 -8.486938 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=91) 0 -14.891892 -4.797294 -8.294495 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=91) 0 -15.912177 -3.543988 -7.605150 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=91) 0 -16.007872 -3.896429 -9.344042 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=91) 0 -13.536498 -2.953497 -10.115812 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=91) 0 -12.368460 -3.336487 -10.185695 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=92) 0 -14.199476 -2.514695 -11.189826 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=92) 0 -15.159455 -2.208506 -11.063400 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=92) 0 -13.641374 -2.512375 -12.547225 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=92) 0 -13.190470 -3.489628 -12.718690 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=92) 0 -14.777782 -2.329726 -13.572895 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=92) 0 -15.255101 -1.364925 -13.400777 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=92) 0 -14.349244 -2.319722 -14.576065 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=92) 0 -15.857252 -3.430533 -13.521366 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=92) 0 -16.381721 -3.393973 -12.567062 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=92) 0 -16.589502 -3.238934 -14.305609 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=92) 0 -15.280822 -4.831038 -13.709268 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=92) 0 -14.909361 -5.510733 -12.760998 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=92) 0 -15.121128 -5.311290 -14.921154 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=92) 0 -14.671412 -6.219476 -15.018909 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=92) 0 -15.439579 -4.794661 -15.720668 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=92) 0 -12.489371 -1.502749 -12.754145 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=92) 0 -11.882242 -1.482908 -13.827032 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=93) 0 -12.132498 -0.701701 -11.739335 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=93) 0 -12.673889 -0.739435 -10.887210 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=93) 0 -10.921090 0.132606 -11.733334 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=93) 0 -10.693758 0.394608 -12.763184 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=93) 0 -11.181098 1.440219 -10.954672 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=93) 0 -12.244614 1.522550 -10.751785 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=93) 0 -10.685516 1.407499 -9.983089 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=93) 0 -10.765936 2.716323 -11.713900 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=93) 0 -10.844205 2.567575 -12.789621 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=93) 0 -11.463811 3.511042 -11.457840 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=93) 0 -9.371190 3.216400 -11.357037 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=93) 0 -9.203916 4.010579 -10.440431 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=93) 0 -8.341393 2.821577 -12.067575 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=93) 0 -7.408137 3.079700 -11.767587 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=93) 0 -8.479354 2.183221 -12.847103 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=93) 0 -9.678994 -0.604113 -11.205203 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=93) 0 -8.567986 -0.189353 -11.524478 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=94) 0 -9.837473 -1.701028 -10.451511 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=94) 0 -10.779468 -2.009034 -10.237735 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=94) 0 -8.731092 -2.381272 -9.754271 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=94) 0 -7.791970 -2.006398 -10.159126 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=94) 0 -8.749594 -2.004581 -8.262722 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=94) 0 -9.670620 -2.383025 -7.817210 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=94) 0 -7.911804 -2.489539 -7.760558 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=94) 0 -8.633520 -0.510404 -8.014740 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=94) 0 -7.513623 0.197078 -8.497422 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=94) 0 -6.724226 -0.328250 -9.016038 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=94) 0 -7.438143 1.594837 -8.355556 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=94) 0 -6.597022 2.130389 -8.762336 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=94) 0 -8.472182 2.287720 -7.695127 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=94) 0 -8.439069 3.639245 -7.571061 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=94) 0 -7.749485 4.035263 -8.118645 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=94) 0 -9.567076 1.575216 -7.175363 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=94) 0 -10.337376 2.120873 -6.663079 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=94) 0 -9.659012 0.181957 -7.344601 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=94) 0 -10.527261 -0.347510 -6.979953 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=94) 0 -8.653251 -3.898281 -9.996891 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=94) 0 -7.995330 -4.609525 -9.242643 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=95) 0 -9.279368 -4.399810 -11.064983 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=95) 0 -9.863791 -3.781648 -11.604748 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=95) 0 -9.074280 -5.763985 -11.560721 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=95) 0 -9.489256 -5.851450 -12.565233 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=95) 0 -8.005285 -5.956446 -11.618999 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=95) 0 -9.695817 -6.840637 -10.671528 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=95) 0 -9.057825 -7.364139 -9.753844 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=96) 0 -10.950321 -7.183344 -10.962063 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=96) 0 -11.396599 -6.704298 -11.739522 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=96) 0 -11.711846 -8.224622 -10.263927 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=96) 0 -11.440296 -8.198597 -9.209640 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=96) 0 -13.228565 -7.966580 -10.350336 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=96) 0 -13.539327 -7.998803 -11.391969 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=96) 0 -14.036783 -8.996210 -9.550648 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=96) 0 -15.102005 -8.781877 -9.640860 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=96) 0 -13.865624 -9.998490 -9.937345 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=96) 0 -13.753730 -8.965055 -8.498294 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=96) 0 -13.596379 -6.590107 -9.800502 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=96) 0 -14.675737 -6.454470 -9.866629 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=96) 0 -13.267536 -6.498293 -8.765033 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=96) 0 -13.123612 -5.815197 -10.400206 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=96) 0 -11.330966 -9.594826 -10.824649 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=96) 0 -11.862882 -10.048011 -11.845764 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=97) 0 -10.424396 -10.286430 -10.134426 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=97) 0 -10.075107 -9.848022 -9.288367 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=97) 0 -10.015675 -11.674429 -10.394787 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=97) 0 -10.021653 -11.836998 -11.471602 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=97) 0 -8.567177 -11.888160 -9.941678 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=97) 0 -8.288339 -12.898275 -10.232228 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=97) 0 -7.926201 -11.205488 -10.498949 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=97) 0 -8.294772 -11.682903 -8.437071 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=97) 0 -8.084668 -10.628174 -8.255193 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=97) 0 -9.163100 -11.959993 -7.841159 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=97) 0 -7.106643 -12.533368 -7.967551 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=97) 0 -6.867936 -12.269543 -6.938747 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=97) 0 -7.390107 -13.584417 -7.968424 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=97) 0 -5.916186 -12.309962 -8.803191 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=97) 0 -5.479329 -11.397703 -8.711677 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=97) 0 -5.416354 -13.104621 -9.729391 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=97) 0 -5.931349 -14.267779 -10.019826 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=97) 0 -6.775228 -14.584156 -9.558259 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=97) 0 -5.548192 -14.836190 -10.763241 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=97) 0 -4.381471 -12.707926 -10.404886 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=97) 0 -4.056750 -11.752085 -10.304498 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=97) 0 -4.021245 -13.288225 -11.153613 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=97) 0 -11.007841 -12.695841 -9.826407 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=97) 0 -10.638520 -13.608770 -9.084977 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=98) 0 -12.284065 -12.519323 -10.154566 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=98) 0 -12.505501 -11.752169 -10.773025 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=98) 0 -13.383515 -13.230338 -9.511216 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=98) 0 -14.247601 -13.251140 -10.172252 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=98) 0 -13.083894 -14.258289 -9.316850 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=98) 0 -13.803776 -12.617873 -8.176019 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=98) 0 -13.259468 -11.609848 -7.721506 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=99) 0 -14.784485 -13.246676 -7.538321 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=99) 0 -15.144452 -14.097863 -7.957750 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=99) 0 -15.412816 -12.782203 -6.310134 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=99) 0 -14.993768 -11.807418 -6.079535 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=99) 0 -16.912571 -12.542084 -6.526488 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=99) 0 -17.441185 -13.487639 -6.431340 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=99) 0 -17.275427 -11.903040 -5.722956 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=99) 0 -17.300183 -11.906940 -7.852519 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=99) 0 -17.430561 -10.509064 -7.969476 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=99) 0 -17.193048 -9.869143 -7.131129 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=99) 0 -17.912124 -9.947354 -9.169525 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=99) 0 -18.030909 -8.881092 -9.258663 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=99) 0 -18.279556 -10.782996 -10.246828 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=99) 0 -18.776480 -10.270509 -11.399942 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=99) 0 -18.764094 -9.294487 -11.387377 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=99) 0 -18.093935 -12.171329 -10.146324 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=99) 0 -18.372409 -12.803549 -10.977971 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=99) 0 -17.588181 -12.727965 -8.960347 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=99) 0 -17.486224 -13.799542 -8.885892 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=99) 0 -15.138714 -13.774066 -5.157629 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=99) 0 -15.224582 -14.993326 -5.357320 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=100) 0 -14.762770 -13.293045 -3.960265 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=100) 0 -14.654887 -14.099981 -2.757780 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=100) 0 -14.131003 -15.035541 -2.952469 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=100) 0 -15.655123 -14.303740 -2.385784 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=100) 0 -13.885681 -13.255243 -1.743872 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=100) 0 -12.822384 -13.470761 -1.826565 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=100) 0 -14.237594 -13.429257 -0.727420 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=100) 0 -14.140333 -11.819583 -2.197469 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=100) 0 -13.335020 -11.146712 -1.898877 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=100) 0 -15.088272 -11.470271 -1.795425 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=100) 0 -14.250841 -11.949579 -3.715711 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=100) 0 -14.955768 -11.201844 -4.073392 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=100) 0 -12.886140 -11.749744 -4.392685 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=100) 0 -12.066550 -12.671725 -4.459271 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=101) 0 -12.620696 -10.530641 -4.847505 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=101) 0 -13.352803 -9.830475 -4.755355 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=101) 0 -11.250161 -10.038058 -5.038841 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=101) 0 -10.567201 -10.873259 -5.186595 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=101) 0 -11.143962 -9.154363 -6.286904 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=101) 0 -11.995060 -8.483949 -6.343697 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=101) 0 -9.856871 -8.338194 -6.400474 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=101) 0 -8.992403 -9.000454 -6.386212 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=101) 0 -9.868215 -7.780486 -7.334888 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=101) 0 -9.783474 -7.621925 -5.583918 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=101) 0 -11.158946 -9.995373 -7.407922 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=101) 0 -11.972696 -10.538345 -7.381287 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=101) 0 -10.831161 -9.322085 -3.761679 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=101) 0 -11.653755 -8.674157 -3.118442 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=102) 0 -9.565118 -9.458446 -3.378675 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=102) 0 -8.940217 -9.996727 -3.968516 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=102) 0 -8.976346 -8.797788 -2.216732 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=102) 0 -9.641108 -7.996980 -1.913393 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=102) 0 -8.813147 -9.745783 -1.005601 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=102) 0 -7.966059 -10.399109 -1.198511 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=102) 0 -8.504800 -8.886777 0.232188 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=102) 0 -8.318084 -9.520498 1.099906 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=102) 0 -7.622876 -8.267940 0.077084 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=102) 0 -9.357466 -8.241795 0.440916 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=102) 0 -10.034588 -10.629158 -0.655478 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=102) 0 -9.996963 -10.886657 0.404137 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=102) 0 -10.956020 -10.071563 -0.825906 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=102) 0 -10.081810 -11.960577 -1.415762 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=102) 0 -10.316243 -11.798617 -2.463917 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=102) 0 -9.123317 -12.473517 -1.331273 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=102) 0 -10.852582 -12.594013 -0.980958 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=102) 0 -7.629748 -8.194884 -2.629215 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=102) 0 -6.777367 -8.907098 -3.166582 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=103) 0 -7.425002 -6.901294 -2.364302 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=103) 0 -8.186448 -6.391607 -1.921547 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=103) 0 -6.180842 -6.166870 -2.663451 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=103) 0 -5.378373 -6.882083 -2.845076 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=103) 0 -6.359640 -5.311620 -3.930390 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=103) 0 -7.277977 -4.732486 -3.856125 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=103) 0 -5.523635 -4.613214 -4.009148 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=103) 0 -6.375532 -6.170915 -5.201128 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=103) 0 -5.422618 -6.690080 -5.260762 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=103) 0 -7.179632 -6.905444 -5.156121 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=103) 0 -6.545890 -5.321059 -6.463389 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=103) 0 -7.600774 -5.093200 -6.624597 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=103) 0 -6.004932 -4.382899 -6.338250 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=103) 0 -5.952332 -6.034259 -7.682481 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=103) 0 -5.902854 -5.320805 -8.510404 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=103) 0 -4.930396 -6.333126 -7.439770 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=103) 0 -6.724552 -7.222308 -8.115846 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=103) 0 -7.641631 -6.972513 -8.479103 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=103) 0 -6.225994 -7.691861 -8.863105 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=103) 0 -6.795041 -7.920517 -7.374385 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=103) 0 -5.717082 -5.303854 -1.491544 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=103) 0 -6.508406 -4.958273 -0.622868 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=104) 0 -4.445015 -4.932369 -1.481073 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=104) 0 -3.869430 -5.243755 -2.255932 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=104) 0 -3.822812 -4.005079 -0.538753 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=104) 0 -4.520243 -3.780577 0.265683 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=104) 0 -2.583638 -4.678853 0.057602 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=104) 0 -2.892550 -5.621976 0.499601 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=104) 0 -1.901656 -4.922099 -0.754477 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=104) 0 -1.835262 -3.871597 1.104253 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=104) 0 -2.479221 -3.471767 2.291447 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=104) 0 -3.514693 -3.728817 2.459329 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=104) 0 -1.783536 -2.725196 3.259209 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=104) 0 -2.290735 -2.409792 4.158538 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=104) 0 -0.434191 -2.390155 3.052536 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=104) 0 0.106712 -1.816397 3.790979 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=104) 0 0.214031 -2.799425 1.875536 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=104) 0 1.256235 -2.563109 1.717429 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=104) 0 -0.484216 -3.531474 0.900208 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=104) 0 0.028778 -3.837182 -0.002638 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=104) 0 -3.469953 -2.685388 -1.224320 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=104) 0 -3.189715 -2.672612 -2.418399 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=105) 0 -3.487638 -1.596034 -0.456697 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=105) 0 -3.781286 -1.706483 0.508678 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=105) 0 -3.143019 -0.237169 -0.868901 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=105) 0 -2.436589 -0.276619 -1.701009 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=105) 0 -4.410223 0.500955 -1.322775 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=105) 0 -5.150567 0.435985 -0.523922 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=105) 0 -4.160335 1.554127 -1.448458 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=105) 0 -5.047889 0.021253 -2.615266 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=105) 0 -4.770457 0.684882 -3.825708 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=105) 0 -4.063059 1.501691 -3.842752 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=105) 0 -5.419401 0.293359 -5.010410 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=105) 0 -5.212389 0.807159 -5.938933 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=105) 0 -6.331282 -0.776845 -4.992600 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=105) 0 -6.826921 -1.076447 -5.904529 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=105) 0 -6.592870 -1.458751 -3.791803 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=105) 0 -7.291210 -2.282252 -3.778341 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=105) 0 -5.958487 -1.053166 -2.604010 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=105) 0 -6.164504 -1.571393 -1.679748 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=105) 0 -2.491357 0.527628 0.299669 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=105) 0 -2.710864 0.211588 1.475545 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=106) 0 -1.710048 1.567099 -0.020617 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=106) 0 -1.636380 1.824225 -0.997174 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=106) 0 -0.978223 2.408414 0.945286 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=106) 0 -1.421644 2.295632 1.932667 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=106) 0 0.507606 2.007028 0.995279 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=106) 0 0.971444 2.319359 0.057021 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=106) 0 0.969729 2.560647 1.812058 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=106) 0 0.831631 0.524891 1.209000 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=106) 0 0.512456 0.216737 2.204049 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=106) 0 0.308492 -0.078478 0.467358 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=106) 0 2.337353 0.275024 1.033135 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=106) 0 2.490467 -0.799795 1.021716 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=106) 0 2.653618 0.665084 0.063395 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=106) 0 3.160242 0.886304 2.095584 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=106) 0 3.423448 1.859638 2.002780 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=106) 0 3.579304 0.312444 3.205061 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=106) 0 3.488097 -0.961675 3.423577 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=106) 0 3.469908 -1.581545 2.613094 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=106) 0 3.893436 -1.338540 4.272368 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=106) 0 4.111709 1.054484 4.122207 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=106) 0 4.347801 2.013256 3.870777 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=106) 0 4.356749 0.691013 5.037960 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=106) 0 -1.039071 3.887559 0.558274 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=106) 0 -1.249625 4.187940 -0.608730 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=107) 0 -0.716391 4.796388 1.481206 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=107) 0 -0.634856 4.448546 2.430378 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=107) 0 -0.227228 6.164348 1.207605 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=107) 0 -0.218758 6.688116 2.164130 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=107) 0 1.231769 6.078293 0.719060 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=107) 0 1.234537 5.694983 -0.301637 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=107) 0 1.679826 7.072011 0.707193 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=107) 0 2.102838 5.193505 1.577499 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=107) 0 2.145661 5.302772 2.795320 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=107) 0 2.807714 4.268765 0.988021 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=107) 0 3.512570 3.828959 1.571469 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=107) 0 2.901720 4.237637 -0.020295 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=107) 0 -1.074850 7.051486 0.261249 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=107) 0 -0.527608 7.930878 -0.414543 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=108) 0 -2.385219 6.815696 0.138668 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=108) 0 -2.782413 6.044554 0.665274 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=108) 0 -3.213903 7.491659 -0.875852 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=108) 0 -4.262202 7.383134 -0.633381 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=108) 0 -3.002533 8.559367 -0.849102 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=108) 0 -2.985414 7.006322 -2.319422 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=108) 0 -3.527129 7.592722 -3.252960 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=109) 0 -2.159038 5.979324 -2.515773 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=109) 0 -1.826023 5.477698 -1.700152 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=109) 0 -1.534215 5.598778 -3.780165 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=109) 0 -1.532549 6.469120 -4.437559 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=109) 0 -0.068738 5.216878 -3.505951 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=109) 0 0.387994 5.983612 -2.881182 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=109) 0 -0.018585 4.271969 -2.963081 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=109) 0 0.726870 5.108867 -4.802112 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=109) 0 0.946925 6.169204 -5.438943 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=109) 0 1.093002 3.984130 -5.209175 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=109) 0 -2.297072 4.476154 -4.493833 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=109) 0 -2.106872 3.285786 -4.236171 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=110) 0 -3.152697 4.849537 -5.444673 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=110) 0 -3.299908 5.838064 -5.611848 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=110) 0 -3.904872 3.875366 -6.254044 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=110) 0 -4.301370 3.121649 -5.575322 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=110) 0 -5.112076 4.512681 -6.947932 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=110) 0 -5.654555 3.729684 -7.474132 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=110) 0 -6.063791 5.182237 -5.957241 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=110) 0 -5.567325 5.999505 -5.433400 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=110) 0 -6.926087 5.579929 -6.486517 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=110) 0 -6.413948 4.445666 -5.237551 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=110) 0 -4.717748 5.491330 -7.879415 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=110) 0 -5.438454 5.527305 -8.535315 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=110) 0 -3.034647 3.112324 -7.262944 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=110) 0 -3.486010 2.102327 -7.802504 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=111) 0 -1.778075 3.531392 -7.464135 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=111) 0 -1.499131 4.401393 -7.032145 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=111) 0 -0.736942 2.799593 -8.193967 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=111) 0 -1.194537 2.344543 -9.072504 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=111) 0 0.308162 3.805628 -8.689121 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=111) 0 0.788730 4.298312 -7.844734 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=111) 0 1.075374 3.283903 -9.260431 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=111) 0 -0.163602 4.545340 -9.335578 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=111) 0 -0.090895 1.644588 -7.391514 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=111) 0 0.785836 0.949979 -7.908406 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=112) 0 -0.549495 1.378549 -6.161292 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=112) 0 -1.210008 2.028910 -5.753386 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=112) 0 -0.103255 0.255950 -5.318038 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=112) 0 0.767047 -0.209489 -5.778950 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=112) 0 0.365751 0.819123 -3.964694 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=112) 0 -0.440718 1.385282 -3.496742 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=112) 0 0.641053 -0.003953 -3.303641 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=112) 0 1.507227 1.643560 -4.121066 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=112) 0 1.237001 2.493325 -4.549822 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=112) 0 -1.135361 -0.890032 -5.130967 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=112) 0 -1.262384 -1.355328 -4.001481 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=113) 0 -1.888207 -1.370105 -6.152778 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=113) 0 -1.775016 -1.030143 -7.568073 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=113) 0 -0.768507 -1.213250 -7.942993 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=113) 0 -2.058651 0.007733 -7.719091 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=113) 0 -2.788220 -1.894253 -8.314481 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=113) 0 -2.344448 -2.854936 -8.578870 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=113) 0 -3.171618 -1.391505 -9.200476 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=113) 0 -3.866439 -2.080472 -7.253859 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=113) 0 -4.535460 -2.907802 -7.488095 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=113) 0 -4.437633 -1.157622 -7.160701 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=113) 0 -3.014376 -2.308162 -5.994412 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=113) 0 -3.596675 -2.036234 -5.112537 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=113) 0 -2.576846 -3.784230 -5.835389 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=113) 0 -2.986756 -4.654821 -6.612775 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=114) 0 -1.723459 -4.091358 -4.853635 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=114) 0 -1.481728 -3.340333 -4.210849 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=114) 0 -1.155849 -5.436291 -4.630410 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=114) 0 -0.614658 -5.734924 -5.526850 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=114) 0 -0.165139 -5.358063 -3.455958 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=114) 0 0.634187 -4.662157 -3.714447 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=114) 0 -0.688823 -4.930760 -2.602588 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=114) 0 0.456073 -6.695354 -3.000890 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=114) 0 0.926644 -6.514966 -2.034297 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=114) 0 -0.320296 -7.434196 -2.817125 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=114) 0 1.536224 -7.258035 -3.947760 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=114) 0 1.927137 -6.451839 -4.570824 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=114) 0 2.366627 -7.622120 -3.340681 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=114) 0 1.086889 -8.404819 -4.857331 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=114) 0 0.225392 -8.086409 -5.443987 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=114) 0 1.903629 -8.630221 -5.548476 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=114) 0 0.753671 -9.622864 -4.087802 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=114) 0 -0.109268 -9.514615 -3.562938 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=114) 0 0.614465 -10.432530 -4.690726 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=114) 0 1.477353 -9.871142 -3.416643 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=114) 0 -2.253836 -6.468927 -4.360015 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=114) 0 -3.059469 -6.292800 -3.453380 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=115) 0 -2.261676 -7.583291 -5.086447 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=115) 0 -1.639389 -7.646343 -5.883865 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=115) 0 -3.171198 -8.705165 -4.813570 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=115) 0 -4.193593 -8.334178 -4.838282 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=115) 0 -3.014878 -9.766793 -5.915106 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=115) 0 -2.765861 -9.285047 -6.861894 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=115) 0 -2.190794 -10.432515 -5.657002 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=115) 0 -4.290212 -10.591687 -6.117678 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=115) 0 -4.034495 -11.492874 -6.678369 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=115) 0 -4.690945 -10.902546 -5.150572 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=115) 0 -5.339080 -9.802111 -6.908116 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=115) 0 -5.186748 -9.661694 -8.142423 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=115) 0 -6.346694 -9.346873 -6.323171 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=115) 0 -2.928973 -9.313068 -3.416863 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=115) 0 -1.785365 -9.572178 -3.040391 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=116) 0 -3.988611 -9.562699 -2.646837 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=116) 0 -4.914978 -9.344792 -3.000919 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=116) 0 -3.913747 -10.280032 -1.369586 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=116) 0 -2.912595 -10.179891 -0.947492 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=116) 0 -4.900912 -9.663919 -0.370977 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=116) 0 -4.515155 -8.689938 -0.075731 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=116) 0 -5.842674 -9.493536 -0.880581 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=116) 0 -5.204377 -10.497686 0.866665 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=116) 0 -4.526841 -10.250617 2.073572 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=116) 0 -3.780610 -9.472179 2.116279 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=116) 0 -4.833720 -11.000395 3.226455 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=116) 0 -4.325363 -10.801011 4.153469 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=116) 0 -5.825726 -12.001196 3.175304 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=116) 0 -6.135218 -12.726525 4.278120 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=116) 0 -5.521372 -12.560965 5.004207 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=116) 0 -6.497873 -12.257803 1.967196 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=116) 0 -7.244541 -13.036027 1.936908 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=116) 0 -6.180502 -11.515621 0.816017 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=116) 0 -6.682994 -11.743803 -0.111707 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=116) 0 -4.197923 -11.768425 -1.566983 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=116) 0 -5.107287 -12.146558 -2.310763 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=117) 0 -3.481252 -12.627081 -0.840164 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=117) 0 -2.736096 -12.263103 -0.261278 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=117) 0 -3.896777 -14.013727 -0.584286 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=117) 0 -4.981439 -14.032054 -0.502983 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=117) 0 -3.493474 -14.955052 -1.734215 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=117) 0 -2.407996 -14.961108 -1.828826 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=117) 0 -3.993233 -16.387396 -1.544317 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=117) 0 -5.082806 -16.407510 -1.509041 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=117) 0 -3.638729 -17.015579 -2.358695 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=117) 0 -3.596443 -16.805393 -0.625504 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=117) 0 -4.067820 -14.513784 -2.952908 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=117) 0 -4.564369 -13.695314 -2.744101 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=117) 0 -3.318011 -14.508537 0.745437 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=117) 0 -2.167616 -14.224807 1.078645 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=118) 0 -4.112877 -15.265644 1.497911 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=118) 0 -5.060123 -15.403667 1.155567 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=118) 0 -3.725222 -16.047650 2.671891 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=118) 0 -2.738948 -16.485529 2.512597 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=118) 0 -3.651091 -15.108636 3.886741 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=118) 0 -4.631570 -14.684720 4.080402 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=118) 0 -3.321871 -15.664072 4.764014 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=118) 0 -2.945774 -14.299035 3.696002 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=118) 0 -4.739884 -17.204463 2.833582 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=118) 0 -4.969626 -17.960241 1.883044 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=119) 0 -5.383401 -17.316926 3.998786 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=119) 0 -5.062819 -16.718736 4.744006 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=119) 0 -6.768537 -17.785170 4.108973 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=119) 0 -6.971050 -18.556967 3.368053 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=119) 0 -6.924572 -18.221119 5.092372 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=119) 0 -7.750741 -16.624135 3.886600 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=119) 0 -7.547376 -15.819668 2.974556 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=120) 0 -8.807603 -16.512282 4.700155 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=120) 0 -8.918781 -17.218951 5.422491 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=120) 0 -9.755049 -15.372341 4.703709 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=120) 0 -9.234600 -14.479567 4.351811 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=120) 0 -10.937630 -15.661498 3.760357 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=120) 0 -11.367366 -16.632363 3.999565 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=120) 0 -11.714693 -14.914355 3.921556 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=120) 0 -10.544898 -15.608299 2.279972 L H-H1 57 0.0000 H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=120) 0 -10.059045 -14.653282 2.073113 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=120) 0 -9.860501 -16.421490 2.041976 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=120) 0 -10.287322 -14.978432 6.088542 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=120) 0 -11.098729 -14.062292 6.173685 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=121) 0 -9.864434 -15.643787 7.159469 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=121) 0 -9.148129 -16.352148 7.045139 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=121) 0 -10.253503 -15.295992 8.527080 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=121) 0 -11.326953 -15.119875 8.529645 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=121) 0 -9.951625 -16.477365 9.469099 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=121) 0 -9.986902 -17.413525 8.909809 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=121) 0 -8.956071 -16.364070 9.901702 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=121) 0 -11.009125 -16.542286 10.575389 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=121) 0 -11.027940 -15.588121 11.095186 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=121) 0 -11.981523 -16.709547 10.113220 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=121) 0 -10.780616 -17.633787 11.614105 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=121) 0 -10.179409 -18.687728 11.298640 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=121) 0 -11.231476 -17.443613 12.768170 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=121) 0 -9.575214 -13.995163 8.990048 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=121) 0 -8.559730 -13.582796 8.428060 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=122) 0 -10.089713 -13.342999 10.031958 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=122) 0 -10.974364 -13.662881 10.423874 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=122) 0 -9.549448 -12.072331 10.509427 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=122) 0 -9.671283 -11.346304 9.708639 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=122) 0 -10.384819 -11.610143 11.695694 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=122) 0 -10.325292 -12.338104 12.505179 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=122) 0 -10.024762 -10.644223 12.048393 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=122) 0 -11.410922 -11.515734 11.353041 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=122) 0 -8.051537 -12.109579 10.855758 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=122) 0 -7.349758 -11.146351 10.565212 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=123) 0 -7.524372 -13.208570 11.398688 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=123) 0 -8.161067 -13.935744 11.706478 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=123) 0 -6.077703 -13.374842 11.594017 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=123) 0 -5.679307 -12.404313 11.889529 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=123) 0 -5.766682 -14.310780 12.768780 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=123) 0 -4.722420 -14.165997 13.051646 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=123) 0 -6.378231 -14.027737 13.627452 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=123) 0 -5.983941 -15.787485 12.454116 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=123) 0 -7.144771 -16.255825 12.535152 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=123) 0 -4.989702 -16.512324 12.214818 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=123) 0 -5.321743 -13.761072 10.309534 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=123) 0 -4.148917 -13.426714 10.196243 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=124) 0 -5.969902 -14.349471 9.297133 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=124) 0 -6.966836 -14.502319 9.389208 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=124) 0 -5.366178 -14.517943 7.961500 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=124) 0 -4.379897 -14.968277 8.074420 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=124) 0 -6.219347 -15.421677 7.054935 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=124) 0 -7.145429 -14.909909 6.798626 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=124) 0 -5.673205 -15.567722 6.124506 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=124) 0 -6.551327 -16.798426 7.621219 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=124) 0 -5.730829 -17.368478 8.370344 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=124) 0 -7.606984 -17.351773 7.239673 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=124) 0 -5.207220 -13.163634 7.251562 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=124) 0 -4.254138 -12.937550 6.500358 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=125) 0 -6.155085 -12.255955 7.485519 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=125) 0 -6.955213 -12.571982 8.029659 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=125) 0 -6.151648 -10.862859 7.032456 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=125) 0 -5.880485 -10.811456 5.980373 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=125) 0 -7.586734 -10.300855 7.187031 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=125) 0 -7.951472 -10.555619 8.180266 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=125) 0 -7.616328 -8.770357 7.067281 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=125) 0 -7.103069 -8.313793 7.912996 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=125) 0 -7.133002 -8.462695 6.144837 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=125) 0 -8.643413 -8.411509 7.065510 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=125) 0 -8.536295 -10.949254 6.150721 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=125) 0 -8.360032 -10.509501 5.167868 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=125) 0 -8.330554 -12.017199 6.075920 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=125) 0 -10.021323 -10.810704 6.511370 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=125) 0 -10.318694 -9.764323 6.544171 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=125) 0 -10.619120 -11.324881 5.759923 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=125) 0 -10.215199 -11.271891 7.479040 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=125) 0 -5.089247 -10.071034 7.805514 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=125) 0 -4.215792 -9.437205 7.208926 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=126) 0 -5.119641 -10.142677 9.137743 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=126) 0 -5.868376 -10.678531 9.568848 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=126) 0 -4.264839 -9.330288 10.007540 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=126) 0 -4.225023 -8.329697 9.578038 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=126) 0 -4.892230 -9.170476 11.407571 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=126) 0 -5.166228 -10.146158 11.806492 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=126) 0 -3.946823 -8.488666 12.398347 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=126) 0 -3.585334 -7.554269 11.971829 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=126) 0 -4.467756 -8.279921 13.334076 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=126) 0 -3.108009 -9.147482 12.618940 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=126) 0 -6.139892 -8.277907 11.305331 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=126) 0 -6.610786 -8.177887 12.281108 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=126) 0 -5.858958 -7.292431 10.942172 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=126) 0 -6.866545 -8.703464 10.616486 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=126) 0 -2.814388 -9.816683 10.016912 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=126) 0 -1.937904 -8.974454 9.858164 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=127) 0 -2.511686 -11.120771 10.075216 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=127) 0 -3.256386 -11.805775 10.170565 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=127) 0 -1.122914 -11.612864 9.985842 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=127) 0 -0.547616 -11.227346 10.829742 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=127) 0 -1.082383 -13.151157 10.003790 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=127) 0 -1.791491 -13.539279 9.277737 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=127) 0 -0.089349 -13.480419 9.700506 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=127) 0 -1.360691 -13.797867 11.341995 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=127) 0 -1.446050 -13.158404 12.381398 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=127) 0 -1.427764 -15.103893 11.367342 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=127) 0 -1.727229 -15.563738 12.218745 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=127) 0 -1.389900 -15.622762 10.501726 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=127) 0 -0.427542 -11.142269 8.700799 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=127) 0 0.750408 -10.793466 8.726613 L N-N--0.415700(PDBName=N,ResName=TRP,ResNum=128) 0 -1.156763 -11.105203 7.583221 L H-H-0.271900(PDBName=H,ResName=TRP,ResNum=128) 0 -2.117619 -11.416694 7.630680 L C-CT--0.027500(PDBName=CA,ResName=TRP,ResNum=128) 0 -0.638892 -10.648788 6.295114 L H-H1-0.112300(PDBName=HA,ResName=TRP,ResNum=128) 0 0.293453 -11.173622 6.083125 L C-CT--0.005000(PDBName=CB,ResName=TRP,ResNum=128) 0 -1.661409 -11.026364 5.222863 L H-HC-0.033900(PDBName=HB2,ResName=TRP,ResNum=128) 0 -1.960474 -12.063968 5.371308 L H-HC-0.033900(PDBName=HB3,ResName=TRP,ResNum=128) 0 -2.545364 -10.405839 5.358527 L C-C*--0.141500(PDBName=CG,ResName=TRP,ResNum=128) 0 -1.198785 -10.894014 3.809849 L C-CW--0.163800(PDBName=CD1,ResName=TRP,ResNum=128) 0 -0.697326 -11.895770 3.056187 L H-H4-0.206200(PDBName=HD1,ResName=TRP,ResNum=128) 0 -0.557119 -12.917026 3.390265 L N-NA--0.341800(PDBName=NE1,ResName=TRP,ResNum=128) 0 -0.384768 -11.421933 1.798502 L H-H-0.341200(PDBName=HE1,ResName=TRP,ResNum=128) 0 0.075295 -11.998318 1.097263 L C-CN-0.138000(PDBName=CE2,ResName=TRP,ResNum=128) 0 -0.694628 -10.086668 1.667650 L C-CA--0.260100(PDBName=CZ2,ResName=TRP,ResNum=128) 0 -0.588551 -9.174744 0.608550 L H-HA-0.157200(PDBName=HZ2,ResName=TRP,ResNum=128) 0 -0.196864 -9.491592 -0.348375 L C-CA--0.113400(PDBName=CH2,ResName=TRP,ResNum=128) 0 -0.989477 -7.844316 0.814631 L H-HA-0.141700(PDBName=HH2,ResName=TRP,ResNum=128) 0 -0.906688 -7.127338 0.009024 L C-CA--0.197200(PDBName=CZ3,ResName=TRP,ResNum=128) 0 -1.482070 -7.447208 2.072659 L H-HA-0.144700(PDBName=HZ3,ResName=TRP,ResNum=128) 0 -1.778697 -6.422972 2.238869 L C-CA--0.238700(PDBName=CE3,ResName=TRP,ResNum=128) 0 -1.583085 -8.369132 3.128578 L H-HA-0.170000(PDBName=HE3,ResName=TRP,ResNum=128) 0 -1.974320 -8.052759 4.082929 L C-CB-0.124300(PDBName=CD2,ResName=TRP,ResNum=128) 0 -1.197579 -9.714299 2.951294 L C-C-0.597300(PDBName=C,ResName=TRP,ResNum=128) 0 -0.341200 -9.140413 6.301614 L O-O--0.567900(PDBName=O,ResName=TRP,ResNum=128) 0 0.698101 -8.712150 5.798596 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=129) 0 -1.204368 -8.333075 6.929479 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=129) 0 -2.045778 -8.751470 7.313167 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=129) 0 -0.996920 -6.891680 7.124726 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=129) 0 -0.717042 -6.446622 6.169507 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=129) 0 -2.323535 -6.266441 7.601614 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=129) 0 -2.706241 -6.855534 8.434995 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=129) 0 -2.133845 -5.259784 7.975931 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=129) 0 -3.396865 -6.191382 6.495805 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=129) 0 -3.408697 -7.118522 5.924283 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=129) 0 -4.788134 -5.992814 7.098289 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=129) 0 -4.836476 -5.065013 7.661815 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=129) 0 -5.533981 -5.970339 6.304838 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=129) 0 -5.020110 -6.826835 7.759447 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=129) 0 -3.106391 -5.030704 5.541013 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=129) 0 -3.069445 -4.091174 6.089757 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=129) 0 -2.159235 -5.190653 5.027924 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=129) 0 -3.891960 -4.964453 4.792835 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=129) 0 0.159758 -6.599356 8.100550 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=129) 0 0.979426 -5.713211 7.836464 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=130) 0 0.306955 -7.394363 9.168600 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=130) 0 -0.414104 -8.098185 9.311618 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=130) 0 1.390212 -7.334878 10.177839 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=130) 0 1.524253 -6.294471 10.479004 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=130) 0 0.985301 -8.142668 11.435266 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=130) 0 0.900770 -9.188947 11.136094 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=130) 0 1.781994 -8.087422 12.178813 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=130) 0 -0.341750 -7.743973 12.115905 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=130) 0 -1.016713 -7.298030 11.388596 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=130) 0 -0.799598 -8.663540 12.482177 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=130) 0 -0.246789 -6.773018 13.298773 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=130) 0 0.414257 -7.181448 14.065265 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=130) 0 0.135172 -5.812692 12.950780 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=130) 0 -1.668134 -6.614467 13.864645 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=130) 0 -2.322586 -6.239056 13.075231 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=130) 0 -2.036706 -7.599387 14.167199 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=130) 0 -1.747100 -5.704113 15.023904 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=130) 0 -1.182645 -6.042116 15.796760 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=130) 0 -1.412901 -4.778321 14.795990 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=130) 0 -2.713974 -5.649989 15.359490 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=130) 0 2.762882 -7.796183 9.632320 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=130) 0 3.661158 -8.113387 10.409646 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=131) 0 2.926279 -7.849179 8.301595 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=131) 0 2.092573 -7.700757 7.752529 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=131) 0 4.178176 -8.135467 7.566386 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=131) 0 5.001164 -8.202142 8.281492 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=131) 0 4.055760 -9.495114 6.852001 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=131) 0 3.156165 -9.504524 6.238306 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=131) 0 4.918106 -9.659644 6.204488 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=131) 0 4.004112 -10.630634 7.875223 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=131) 0 4.972855 -10.681987 8.367961 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=131) 0 3.241501 -10.413759 8.619216 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=131) 0 3.710673 -11.998654 7.258864 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=131) 0 2.969905 -11.894391 6.465276 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=131) 0 4.631433 -12.397327 6.831123 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=131) 0 3.153016 -12.970882 8.306733 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=131) 0 2.145491 -12.646430 8.578265 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=131) 0 3.075197 -13.965127 7.856772 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=131) 0 3.989496 -13.037385 9.527383 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=131) 0 4.081771 -12.134137 9.985593 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=131) 0 3.600000 -13.694828 10.196617 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=131) 0 4.930822 -13.357274 9.316473 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=131) 0 4.583219 -7.028839 6.581874 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=131) 0 5.600254 -7.166882 5.900956 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=132) 0 3.806788 -5.942415 6.494379 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=132) 0 2.989637 -5.917535 7.086084 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=132) 0 4.075036 -4.807071 5.587178 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=132) 0 5.155474 -4.707503 5.464056 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=132) 0 3.477796 -5.118309 4.202483 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=132) 0 3.738881 -4.311588 3.517705 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=132) 0 3.943388 -6.028812 3.826578 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=132) 0 1.948788 -5.296326 4.195125 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=132) 0 1.647853 -6.055767 4.917447 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=132) 0 1.476035 -4.351317 4.462441 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=132) 0 1.452372 -5.710592 2.808614 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=132) 0 0.364469 -5.654994 2.802293 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=132) 0 1.826877 -4.993986 2.077026 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=132) 0 1.865513 -7.083686 2.461022 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=132) 0 1.612319 -7.835356 3.088558 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=132) 0 2.513407 -7.469836 1.379882 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=132) 0 2.891572 -6.654639 0.448513 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=132) 0 2.758779 -5.645705 0.523141 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=132) 0 3.442933 -7.001126 -0.319056 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=132) 0 2.807229 -8.723313 1.221133 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=132) 0 2.559732 -9.359072 1.972424 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=132) 0 3.302701 -9.047205 0.404283 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=132) 0 3.609410 -3.439589 6.089535 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=132) 0 4.118207 -2.419450 5.639770 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=133) 0 2.619475 -3.392891 6.977311 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=133) 0 2.245623 -4.258604 7.330583 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=133) 0 2.080977 -2.132209 7.516889 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=133) 0 2.028082 -1.406894 6.703832 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=133) 0 0.657800 -2.310340 8.049017 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=133) 0 0.317307 -1.363901 8.468557 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=133) 0 -0.304393 -2.730318 6.937396 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=133) 0 -0.058965 -3.719492 6.555878 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=133) 0 -1.323634 -2.738042 7.318827 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=133) 0 -0.233344 -2.017962 6.119653 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=133) 0 0.618750 -3.298228 9.046656 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=133) 0 0.781114 -4.157164 8.628450 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=133) 0 3.003233 -1.522284 8.575448 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=133) 0 3.780498 -2.228699 9.218407 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=134) 0 2.941933 -0.199870 8.736599 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=134) 0 2.232455 0.307007 8.228050 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=134) 0 4.081332 0.594736 9.206101 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=134) 0 3.719659 1.466819 9.750683 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=134) 0 4.703257 0.001182 9.876500 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=134) 0 4.933184 1.074910 8.017991 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=134) 0 4.511301 0.911260 6.866066 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=135) 0 6.106268 1.691380 8.249808 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=135) 0 6.774413 1.854455 9.532604 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=135) 0 6.749242 0.934933 10.118339 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=135) 0 6.307088 2.671684 10.084019 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=135) 0 8.222800 2.216654 9.198011 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=135) 0 8.810828 1.309350 9.056641 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=135) 0 8.672044 2.844828 9.967276 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=135) 0 8.093630 2.956082 7.866964 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=135) 0 9.011299 2.901058 7.279815 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=135) 0 7.831739 3.993702 8.060509 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=135) 0 6.915961 2.262530 7.176456 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=135) 0 6.329008 3.006618 6.641178 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=135) 0 7.376845 1.186762 6.188988 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=135) 0 7.864098 0.132402 6.599043 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=136) 0 7.245169 1.458510 4.886145 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=136) 0 6.805514 2.334633 4.618054 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=136) 0 7.614017 0.495863 3.841120 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=136) 0 7.061806 -0.431979 4.005127 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=136) 0 7.232439 1.053440 2.469106 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=136) 0 7.721105 2.013517 2.309741 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=136) 0 7.551600 0.353842 1.694582 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=136) 0 6.156815 1.172738 2.389462 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=136) 0 9.108925 0.147023 3.864183 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=136) 0 9.472158 -0.987241 3.560995 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=137) 0 9.966806 1.097947 4.251489 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=137) 0 9.594790 1.996560 4.510309 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=137) 0 11.350049 0.806193 4.594886 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=137) 0 11.686508 -0.026316 3.986071 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=137) 0 12.249450 1.992606 4.240429 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=137) 0 12.069994 2.822474 4.920699 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=137) 0 13.284939 1.675323 4.335925 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=137) 0 12.074544 2.310149 3.213062 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=137) 0 11.437290 0.386674 6.070674 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=137) 0 11.417092 1.232316 6.968993 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=138) 0 11.530190 -0.918966 6.315473 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=138) 0 11.502491 -1.560016 5.525915 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=138) 0 11.684687 -1.508272 7.651685 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=138) 0 10.823618 -1.237725 8.257469 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=138) 0 11.765031 -3.036892 7.544496 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=138) 0 12.686697 -3.301243 7.030448 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=138) 0 11.726640 -3.742564 8.898583 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=138) 0 10.807933 -3.486681 9.425613 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=138) 0 11.761938 -4.821705 8.747259 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=138) 0 12.587241 -3.451459 9.501097 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=138) 0 10.673749 -3.529227 6.800959 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=138) 0 10.953102 -4.390489 6.428569 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=138) 0 12.958221 -0.989130 8.314854 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=138) 0 14.025879 -1.024154 7.704890 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=139) 0 12.886197 -0.511443 9.555879 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=139) 0 11.992469 -0.493869 10.032651 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=139) 0 14.067110 0.067574 10.219241 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=139) 0 14.614576 0.645093 9.475508 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=139) 0 13.677520 1.057285 11.320815 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=139) 0 13.232283 0.516932 12.155347 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=139) 0 14.886884 1.854640 11.806211 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=139) 0 15.354422 2.373981 10.968934 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=139) 0 14.567218 2.587170 12.543246 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=139) 0 15.613278 1.191973 12.275453 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=139) 0 12.737752 1.986672 10.817260 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=139) 0 11.906941 1.826416 11.307200 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=139) 0 15.006130 -1.027644 10.737885 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=139) 0 14.588292 -1.924319 11.471177 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=140) 0 16.282618 -0.952539 10.354451 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=140) 0 16.530020 -0.179846 9.744086 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=140) 0 17.319992 -1.961992 10.575969 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=140) 0 16.881948 -2.848670 11.031813 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=140) 0 17.920626 -2.363546 9.214533 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=140) 0 18.316054 -1.464507 8.745175 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=140) 0 18.760743 -3.037229 9.393905 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=140) 0 16.965906 -3.029001 8.210726 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=140) 0 16.094471 -2.403150 8.048697 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=140) 0 17.704451 -3.173860 6.880387 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=140) 0 18.657557 -3.672653 7.038871 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=140) 0 17.109214 -3.749392 6.174918 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=140) 0 17.888797 -2.184414 6.463847 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=140) 0 16.509387 -4.405143 8.687523 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=140) 0 15.904529 -4.301951 9.588257 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=140) 0 15.901006 -4.882998 7.921310 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=140) 0 17.376328 -5.024947 8.897445 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=140) 0 18.435638 -1.409306 11.484129 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=140) 0 19.179670 -0.517470 11.056749 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=141) 0 18.613077 -1.921971 12.713336 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=141) 0 17.691393 -2.790556 13.433218 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=141) 0 17.630790 -3.777997 12.973245 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=141) 0 16.706400 -2.325070 13.459579 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=141) 0 18.240507 -2.904110 14.856893 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=141) 0 18.870220 -3.789104 14.941336 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=141) 0 17.441090 -2.928989 15.598219 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=141) 0 19.115400 -1.664990 15.007141 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=141) 0 19.889457 -1.811575 15.760981 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=141) 0 18.492669 -0.805524 15.261371 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=141) 0 19.689320 -1.483417 13.599775 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=141) 0 19.900733 -0.427188 13.443901 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=141) 0 21.003540 -2.258701 13.398586 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=141) 0 22.043272 -1.808672 13.886697 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=142) 0 20.975450 -3.404986 12.707731 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=142) 0 20.089025 -3.714705 12.337351 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=142) 0 22.083524 -4.364758 12.633045 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=142) 0 23.022629 -3.822541 12.749368 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=142) 0 21.964205 -5.337921 13.812270 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=142) 0 22.919957 -5.848864 13.938390 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=142) 0 21.760331 -4.788873 14.733592 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=142) 0 20.872933 -6.377517 13.571736 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=142) 0 21.202156 -7.450090 13.019381 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=142) 0 19.700142 -6.145971 13.936506 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=142) 0 22.158441 -5.143211 11.297715 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=142) 0 21.206285 -5.189417 10.512550 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=143) 0 23.309721 -5.776470 11.047805 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=143) 0 24.052319 -5.724690 11.739965 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=143) 0 23.609329 -6.497076 9.808706 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=143) 0 23.359899 -5.863023 8.959196 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=143) 0 24.681568 -6.689565 9.786452 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=143) 0 22.898317 -7.844229 9.625452 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=143) 0 22.743042 -8.277127 8.480042 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=144) 0 22.441779 -8.502359 10.695916 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=144) 0 22.494980 -8.055823 11.604738 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=144) 0 21.707679 -9.767842 10.611448 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=144) 0 22.176564 -10.393209 9.856502 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=144) 0 21.806431 -10.538702 11.930562 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=144) 0 21.291505 -10.006103 12.728941 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=144) 0 21.344282 -11.519612 11.811996 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=144) 0 22.852682 -10.679296 12.195575 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=144) 0 20.249278 -9.523367 10.204361 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=144) 0 19.706353 -10.243819 9.362542 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=145) 0 19.625309 -8.468612 10.737609 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=145) 0 20.104045 -7.940609 11.466059 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=145) 0 18.320445 -8.006814 10.269089 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=145) 0 17.600738 -8.821083 10.370554 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=145) 0 17.864893 -6.846390 11.162120 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=145) 0 18.568197 -6.014901 11.095668 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=145) 0 16.875574 -6.509647 10.851670 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=145) 0 17.807176 -7.179270 12.198932 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=145) 0 18.377485 -7.616818 8.778048 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=145) 0 17.514429 -8.023671 7.998594 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=146) 0 19.435027 -6.907498 8.360555 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=146) 0 20.092488 -6.576089 9.056916 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=146) 0 19.636890 -6.498128 6.969978 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=146) 0 18.788839 -5.883038 6.669051 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=146) 0 20.907989 -5.642625 6.897503 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=146) 0 21.775924 -6.229150 7.193003 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=146) 0 21.061671 -5.295580 5.876540 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=146) 0 20.812247 -4.782267 7.560236 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=146) 0 19.688470 -7.684480 5.988614 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=146) 0 18.939454 -7.705539 5.011830 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=147) 0 20.503148 -8.710504 6.256810 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=147) 0 21.104859 -8.659051 7.070567 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=147) 0 20.615198 -9.861044 5.344371 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=147) 0 20.790711 -9.475719 4.339253 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=147) 0 21.817847 -10.741160 5.698498 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=147) 0 21.894246 -11.533021 4.952215 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=147) 0 22.724198 -10.138813 5.655846 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=147) 0 21.708362 -11.371148 7.087712 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=147) 0 21.935971 -10.607634 7.821632 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=147) 0 20.699268 -11.734354 7.271525 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=147) 0 22.663585 -12.541023 7.249281 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=147) 0 22.185048 -13.697183 7.236710 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=147) 0 23.883146 -12.309310 7.409671 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=147) 0 19.344493 -10.722376 5.269876 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=147) 0 19.117673 -11.379966 4.254757 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=148) 0 18.508331 -10.730263 6.315013 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=148) 0 18.766233 -10.201528 7.141111 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=148) 0 17.247260 -11.482045 6.322471 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=148) 0 17.375661 -12.369866 5.704287 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=148) 0 16.921051 -11.972058 7.729611 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=148) 0 17.820697 -12.381009 8.190866 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=148) 0 16.548802 -11.143630 8.334598 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=148) 0 15.947033 -12.994202 7.637383 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=148) 0 16.425817 -13.855620 7.629518 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=148) 0 16.087916 -10.677924 5.726687 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=148) 0 15.120647 -11.259190 5.224922 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=149) 0 16.188932 -9.345298 5.693334 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=149) 0 16.947229 -8.899765 6.201906 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=149) 0 15.356700 -8.508099 4.829778 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=149) 0 14.315976 -8.806816 4.959267 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=149) 0 15.477751 -7.042652 5.276801 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=149) 0 15.270732 -7.018547 6.348048 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=149) 0 16.495515 -6.679559 5.132173 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=149) 0 14.481003 -6.112962 4.556309 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=149) 0 13.573398 -6.665927 4.313370 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=149) 0 14.099624 -4.965597 5.482842 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=149) 0 14.965146 -4.349199 5.705327 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=149) 0 13.331424 -4.362737 5.004264 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=149) 0 13.686816 -5.362302 6.409904 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=149) 0 15.057422 -5.505389 3.274335 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=149) 0 15.264119 -6.278834 2.539469 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=149) 0 14.332613 -4.819032 2.838022 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=149) 0 15.973881 -4.958749 3.491954 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=149) 0 15.720835 -8.745864 3.358303 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=149) 0 14.832671 -9.051094 2.562025 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=150) 0 17.015863 -8.739204 3.020381 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=150) 0 17.691685 -8.455501 3.725452 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=150) 0 17.515444 -9.097272 1.677731 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=150) 0 17.055375 -8.426828 0.959449 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=150) 0 19.044216 -8.899383 1.595168 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=150) 0 19.514208 -9.370637 2.456259 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=150) 0 19.671874 -9.496108 0.329619 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=150) 0 19.127204 -9.157300 -0.550949 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=150) 0 20.716521 -9.194162 0.250469 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=150) 0 19.638119 -10.584736 0.371590 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=150) 0 19.371636 -7.402023 1.615144 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=150) 0 18.977698 -6.945392 2.518996 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=150) 0 20.452162 -7.254323 1.600290 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=150) 0 18.928896 -6.908807 0.750595 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=150) 0 17.101001 -10.513117 1.261908 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=150) 0 16.810914 -10.751166 0.092208 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=151) 0 16.994544 -11.449841 2.204382 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=151) 0 17.373402 -11.244297 3.121378 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=151) 0 16.530065 -12.812327 1.928317 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=151) 0 17.075986 -13.173394 1.056757 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=151) 0 16.862611 -13.701199 3.137932 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=151) 0 17.803645 -13.377712 3.564390 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=151) 0 16.100835 -13.570106 3.904331 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=151) 0 16.993774 -15.191510 2.807042 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=151) 0 17.227269 -15.731098 3.724841 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=151) 0 16.042188 -15.566607 2.427993 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=151) 0 18.106423 -15.449231 1.789400 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=151) 0 19.262417 -15.028491 2.026659 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=151) 0 17.815515 -16.038711 0.720656 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=151) 0 15.028306 -12.907040 1.606481 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=151) 0 14.605763 -13.870101 0.964331 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=152) 0 14.207174 -11.942152 2.035751 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=152) 0 14.625018 -11.140365 2.493035 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=152) 0 12.736431 -12.074083 2.053770 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=152) 0 12.529716 -13.084587 2.398733 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=152) 0 12.120430 -11.161468 3.117801 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=152) 0 11.050632 -11.365275 3.187696 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=152) 0 12.570552 -11.397595 4.081603 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=152) 0 12.307060 -9.784133 2.849413 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=152) 0 13.244991 -9.599216 2.633603 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=152) 0 12.031268 -11.951843 0.686813 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=152) 0 10.813354 -12.127932 0.591603 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=153) 0 12.790893 -11.707433 -0.380706 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=153) 0 13.784886 -11.594591 -0.227816 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=153) 0 12.351758 -11.661502 -1.781816 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=153) 0 11.610218 -12.434064 -1.972453 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=153) 0 11.724695 -10.286601 -2.028333 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=153) 0 10.760666 -10.235510 -1.519882 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=153) 0 12.390258 -9.550983 -1.582232 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=153) 0 11.559788 -9.923895 -3.385405 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=153) 0 12.099288 -9.108916 -3.479619 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=153) 0 13.563300 -11.897771 -2.690339 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=153) 0 14.699009 -11.651786 -2.280697 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=154) 0 13.365713 -12.332440 -3.936362 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=154) 0 12.418402 -12.528720 -4.244816 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=154) 0 14.463219 -12.497946 -4.914842 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=154) 0 15.244535 -13.103011 -4.460753 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=154) 0 13.958608 -13.243013 -6.152783 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=154) 0 13.148722 -12.674423 -6.609177 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=154) 0 14.767576 -13.328431 -6.879836 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=154) 0 13.482747 -14.651608 -5.792362 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=154) 0 14.343269 -15.246170 -5.482682 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=154) 0 12.775691 -14.619413 -4.961947 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=154) 0 12.791445 -15.292474 -6.985748 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=154) 0 13.427461 -16.104989 -7.696373 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=154) 0 11.590008 -15.008299 -7.207277 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=154) 0 15.116980 -11.168104 -5.333493 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=154) 0 16.167932 -11.167033 -5.974377 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=155) 0 14.494252 -10.056363 -4.933603 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=155) 0 13.620438 -10.206171 -4.450299 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=155) 0 14.910515 -8.657460 -5.076912 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=155) 0 15.981888 -8.599281 -5.259466 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=155) 0 14.148370 -8.014753 -6.250245 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=155) 0 13.079080 -8.147111 -6.083053 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=155) 0 14.416810 -6.511410 -6.350904 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=155) 0 15.480426 -6.326644 -6.502738 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=155) 0 13.830513 -6.114085 -7.172459 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=155) 0 14.086195 -5.996368 -5.450702 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=155) 0 14.502123 -8.665046 -7.595721 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=155) 0 14.278301 -9.730605 -7.570158 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=155) 0 13.891334 -8.231888 -8.385875 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=155) 0 15.558794 -8.528224 -7.818808 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=155) 0 14.567110 -7.911452 -3.781524 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=155) 0 13.449471 -8.061099 -3.287683 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=156) 0 15.471496 -7.082161 -3.259529 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=156) 0 16.361172 -6.990044 -3.742674 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=156) 0 15.285746 -6.247756 -2.064038 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=156) 0 14.234692 -5.990883 -1.946085 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=156) 0 15.716050 -7.064606 -0.842789 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=156) 0 16.767871 -7.333258 -0.941621 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=156) 0 15.571148 -6.478516 0.065258 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=156) 0 15.116075 -7.973414 -0.773365 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=156) 0 16.086082 -4.932053 -2.166313 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=156) 0 16.970585 -4.808822 -3.012187 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=157) 0 15.824315 -3.941089 -1.307621 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=157) 0 15.070752 -4.064187 -0.633075 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=157) 0 16.583182 -2.669749 -1.283419 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=157) 0 17.557055 -2.832007 -1.741018 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=157) 0 15.862210 -1.559478 -2.085763 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=157) 0 14.957265 -1.269787 -1.552707 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=157) 0 16.753477 -0.324526 -2.257476 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=157) 0 17.657918 -0.589263 -2.804755 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=157) 0 16.214877 0.445077 -2.810441 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=157) 0 17.029642 0.078910 -1.286331 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=157) 0 15.470304 -1.976365 -3.510201 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=157) 0 14.766718 -2.801385 -3.469880 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=157) 0 14.982533 -1.147145 -4.022959 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=157) 0 16.351674 -2.286401 -4.069386 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=157) 0 16.830676 -2.209654 0.155799 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=157) 0 15.933188 -2.293054 0.988259 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=158) 0 18.019941 -1.681164 0.463930 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=158) 0 18.729432 -1.630410 -0.262328 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=158) 0 18.307003 -1.022983 1.750589 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=158) 0 17.367505 -0.908286 2.277433 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=158) 0 19.210643 -1.882373 2.668694 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=158) 0 20.151291 -2.070666 2.153342 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=158) 0 19.515349 -1.131288 3.984119 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=158) 0 18.591471 -0.909701 4.517734 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=158) 0 20.172943 -1.716981 4.623231 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=158) 0 20.040556 -0.197371 3.785512 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=158) 0 18.529656 -3.239045 2.972925 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=158) 0 17.597490 -3.057619 3.509236 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=158) 0 18.285941 -3.742285 2.037619 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=158) 0 19.381780 -4.219310 3.785436 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=158) 0 18.823960 -5.144292 3.921919 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=158) 0 20.311979 -4.432718 3.257562 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=158) 0 19.602809 -3.814223 4.769415 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=158) 0 18.857985 0.389615 1.524252 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=158) 0 19.766208 0.589186 0.718748 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=159) 0 18.310972 1.366546 2.247708 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=159) 0 17.543814 1.115075 2.863011 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=159) 0 18.810520 2.737775 2.335873 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=159) 0 19.374516 2.986265 1.438523 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=159) 0 17.976488 3.432005 2.412183 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=159) 0 19.703252 2.927462 3.559455 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=159) 0 19.362579 2.497843 4.660060 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=160) 0 20.837640 3.585225 3.363948 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=160) 0 21.005685 3.976812 2.443441 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=160) 0 21.905056 3.776947 4.337976 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=160) 0 21.650934 3.300175 5.285066 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=160) 0 23.189275 3.129063 3.795861 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=160) 0 23.447136 3.583690 2.837688 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=160) 0 24.007640 3.342806 4.480219 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=160) 0 23.096030 1.628154 3.608454 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=160) 0 22.555390 1.097507 2.423327 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=160) 0 22.196769 1.758560 1.647736 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=160) 0 22.463277 -0.292754 2.252242 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=160) 0 22.011798 -0.688290 1.359032 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=160) 0 22.932094 -1.162277 3.249297 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=160) 0 22.859468 -2.232418 3.113410 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=160) 0 23.480973 -0.633527 4.428685 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=160) 0 23.843203 -1.296715 5.194848 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=160) 0 23.554810 0.757669 4.613377 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=160) 0 23.968143 1.158557 5.525810 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=160) 0 22.060601 5.277107 4.576579 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=160) 0 22.727088 5.969388 3.807423 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=161) 0 21.402639 5.780626 5.620538 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=161) 0 20.916891 5.139984 6.241374 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=161) 0 21.324983 7.205600 5.929990 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=161) 0 22.121958 7.733591 5.410090 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=161) 0 19.996583 7.783221 5.433765 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=161) 0 19.167724 7.280397 5.935138 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=161) 0 19.969734 8.836193 5.714336 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=161) 0 19.819059 7.679447 3.934244 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=161) 0 20.573710 8.509282 3.085380 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=161) 0 21.250883 9.237635 3.506144 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=161) 0 20.483519 8.362461 1.692257 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=161) 0 21.099415 8.971779 1.044775 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=161) 0 19.613466 7.403322 1.149029 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=161) 0 19.553432 7.280990 0.081232 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=161) 0 18.843200 6.584950 1.993242 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=161) 0 18.185355 5.841736 1.571092 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=161) 0 18.951949 6.715684 3.387363 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=161) 0 18.382059 6.068365 4.037640 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=161) 0 21.499308 7.435379 7.426929 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=161) 0 20.568404 7.252718 8.211306 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=162) 0 22.701206 7.857461 7.827058 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=162) 0 23.403881 8.027313 7.106513 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=162) 0 23.030825 8.189938 9.219140 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=162) 0 22.836773 7.323415 9.849931 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=162) 0 24.531217 8.500521 9.282781 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=162) 0 25.086321 7.623118 8.944644 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=162) 0 24.754980 9.331033 8.610040 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=162) 0 24.990155 8.865566 10.698805 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=162) 0 24.502338 9.794530 10.987438 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=162) 0 24.691691 8.086014 11.401653 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=162) 0 26.516270 9.031121 10.746859 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=162) 0 26.962203 8.059097 10.957066 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=162) 0 26.891545 9.364147 9.779400 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=162) 0 26.961578 10.037988 11.811223 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=162) 0 26.581290 9.728726 12.789613 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=162) 0 28.053968 10.032383 11.858468 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=162) 0 26.484821 11.403489 11.487203 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=162) 0 25.475645 11.474455 11.589436 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=162) 0 26.879190 12.095982 12.117543 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=162) 0 26.699590 11.666251 10.527474 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=162) 0 22.147162 9.325072 9.755263 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=162) 0 21.792141 9.318695 10.932996 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=163) 0 21.729835 10.247825 8.890218 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=163) 0 22.098084 10.212771 7.945971 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=163) 0 20.689226 11.237408 9.151995 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=163) 0 20.473395 11.251204 10.220532 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=163) 0 21.204518 12.629775 8.772840 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=163) 0 22.245236 12.724171 9.089515 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=163) 0 21.166836 12.781473 7.694053 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=163) 0 20.375178 13.683983 9.490801 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=163) 0 19.149583 13.772060 9.266410 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=163) 0 20.934674 14.321232 10.412332 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=163) 0 19.388952 10.870867 8.417877 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=163) 0 19.224821 11.134943 7.225018 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=164) 0 18.448039 10.248893 9.127464 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=164) 0 18.616522 10.085718 10.109852 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=164) 0 17.197652 9.739840 8.539401 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=164) 0 17.455115 9.369497 7.551502 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=164) 0 16.704691 8.503474 9.316371 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=164) 0 17.497909 7.755593 9.275596 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=164) 0 16.438642 8.810607 10.786199 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=164) 0 15.703790 9.610973 10.872735 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=164) 0 16.066920 7.917371 11.284176 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=164) 0 17.366414 9.100646 11.271073 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=164) 0 15.454374 7.863873 8.710557 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=164) 0 15.591358 7.742484 7.638667 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=164) 0 15.285776 6.887040 9.165497 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=164) 0 14.584653 8.491514 8.892891 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=164) 0 16.133184 10.830390 8.307805 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=164) 0 15.214509 10.634966 7.512183 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=165) 0 16.271819 12.017271 8.906085 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=165) 0 17.018311 12.122178 9.584745 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=165) 0 15.469652 13.210428 8.571326 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=165) 0 14.461109 12.891992 8.310982 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=165) 0 15.356098 14.150416 9.788899 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=165) 0 16.241996 14.075296 10.416582 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=165) 0 15.301797 15.181920 9.438700 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=165) 0 14.096009 13.904212 10.627946 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=165) 0 14.044981 14.670523 11.404230 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=165) 0 13.220467 14.026649 9.988698 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=165) 0 14.054207 12.521764 11.281190 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=165) 0 14.425266 12.402166 12.473092 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=165) 0 13.578851 11.559712 10.634785 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=165) 0 15.979572 13.974598 7.332684 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=165) 0 15.271225 14.854809 6.825689 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=166) 0 17.170780 13.652306 6.818241 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=166) 0 17.728286 12.963784 7.309688 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=166) 0 17.737257 14.279337 5.615193 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=166) 0 17.746653 15.356378 5.782771 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=166) 0 19.191805 13.845352 5.400265 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=166) 0 19.632514 14.466390 4.619200 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=166) 0 19.756468 14.000138 6.320300 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=166) 0 19.283416 12.489029 5.003065 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=166) 0 19.182081 11.940181 5.816317 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=166) 0 16.914693 14.020166 4.344904 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=166) 0 16.177902 13.034464 4.246992 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=167) 0 17.062949 14.910964 3.356553 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=167) 0 17.619976 15.738542 3.532819 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=167) 0 16.361299 14.884359 2.064928 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=167) 0 15.332985 15.220971 2.199492 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=167) 0 17.074028 15.826724 1.076815 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=167) 0 18.137837 15.584357 1.037890 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=167) 0 16.657510 15.658306 0.081796 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=167) 0 16.918743 17.303375 1.424916 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=167) 0 17.162986 17.681476 2.594494 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=167) 0 16.514035 18.079699 0.534357 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=167) 0 16.327655 13.483820 1.449625 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=167) 0 15.256128 12.947231 1.174328 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=168) 0 17.508371 12.885173 1.292836 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=168) 0 18.330339 13.416042 1.541367 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=168) 0 17.734538 11.595368 0.643176 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=168) 0 17.310082 11.617749 -0.359736 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=168) 0 19.240386 11.392178 0.522304 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=168) 0 19.701444 11.421427 1.511640 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=168) 0 19.444754 10.422688 0.070095 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=168) 0 19.776876 12.424131 -0.285352 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=168) 0 20.732570 12.212424 -0.387270 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=168) 0 17.122725 10.414360 1.393695 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=168) 0 16.613696 9.487776 0.766304 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=169) 0 17.103535 10.457210 2.726091 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=169) 0 17.477618 11.271033 3.197230 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=169) 0 16.494071 9.412204 3.540851 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=169) 0 16.854887 8.438916 3.207403 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=169) 0 16.937888 9.638407 4.980445 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=169) 0 16.556343 10.592842 5.341685 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=169) 0 16.558176 8.829704 5.603402 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=169) 0 18.022309 9.666005 5.033071 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=169) 0 14.963379 9.418337 3.425542 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=169) 0 14.334082 8.369323 3.267914 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=170) 0 14.359131 10.611412 3.434072 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=170) 0 14.938909 11.435082 3.584054 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=170) 0 12.912953 10.790417 3.252611 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=170) 0 12.393440 10.017745 3.815049 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=170) 0 12.511219 12.152170 3.834674 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=170) 0 13.162198 12.912926 3.403793 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=170) 0 11.491311 12.387220 3.542038 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=170) 0 12.604393 12.214813 5.374748 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=170) 0 13.578878 11.852563 5.701983 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=170) 0 12.520905 13.258507 5.673982 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=170) 0 11.485899 11.438010 6.094033 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=170) 0 10.526327 11.841683 5.766046 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=170) 0 11.515734 10.381887 5.832886 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=170) 0 11.579969 11.605849 7.618505 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=170) 0 11.841900 12.645569 7.834249 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=170) 0 10.599573 11.422823 8.067155 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=170) 0 12.575375 10.701638 8.240138 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=170) 0 13.449233 10.666760 7.724089 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=170) 0 12.829883 11.037844 9.170112 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=170) 0 12.228770 9.756956 8.384282 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=170) 0 12.476489 10.588669 1.793580 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=170) 0 11.397344 10.041373 1.572546 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=171) 0 13.332870 10.896808 0.815676 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=171) 0 14.163549 11.421692 1.067512 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=171) 0 13.176999 10.492323 -0.591789 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=171) 0 12.223640 10.855330 -0.976704 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=171) 0 14.322858 11.081230 -1.428043 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=171) 0 15.258239 10.932787 -0.895494 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=171) 0 14.402939 10.532165 -2.365951 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=171) 0 14.169577 12.574589 -1.738426 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=171) 0 13.788305 13.101913 -0.871931 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=171) 0 15.156186 12.977740 -1.962206 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=171) 0 13.252807 12.863947 -2.916525 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=171) 0 12.396191 12.080018 -3.305025 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=171) 0 13.433900 13.979301 -3.569420 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=171) 0 12.797603 14.207870 -4.322280 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=171) 0 14.129879 14.644846 -3.242030 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=171) 0 13.201782 8.968106 -0.757546 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=171) 0 12.388828 8.406208 -1.489836 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=172) 0 14.109534 8.285160 -0.056235 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=172) 0 14.815051 8.797727 0.463121 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=172) 0 14.197777 6.828861 -0.071206 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=172) 0 14.195574 6.497082 -1.102999 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=172) 0 15.521388 6.397609 0.563725 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=172) 0 16.345851 6.712313 -0.077573 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=172) 0 15.642978 6.892888 1.526834 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=172) 0 15.592002 4.904631 0.768856 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=172) 0 15.788401 4.050125 -0.328804 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=172) 0 15.939555 4.459532 -1.314270 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=172) 0 15.754756 2.659717 -0.149685 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=172) 0 15.883459 2.007543 -0.997208 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=172) 0 15.519626 2.121462 1.125186 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=172) 0 15.489016 1.049147 1.265113 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=172) 0 15.305546 2.976936 2.217150 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=172) 0 15.106365 2.563511 3.190051 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=172) 0 15.346394 4.367491 2.042815 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=172) 0 15.161481 5.024066 2.879086 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=172) 0 12.979622 6.159449 0.576478 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=172) 0 12.422669 5.225601 -0.002123 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=173) 0 12.490988 6.690558 1.701671 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=173) 0 13.027313 7.417237 2.165283 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=173) 0 11.184784 6.314267 2.249803 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=173) 0 11.193688 5.245475 2.466636 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=173) 0 10.935151 7.092340 3.555784 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=173) 0 11.286256 8.114492 3.429318 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=173) 0 9.863054 7.139707 3.754700 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=173) 0 11.637354 6.443906 4.763956 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=173) 0 12.605575 6.049805 4.456578 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=173) 0 11.869342 7.461594 5.879822 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=173) 0 10.921238 7.902737 6.186930 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=173) 0 12.332511 6.967069 6.734468 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=173) 0 12.547328 8.235842 5.523147 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=173) 0 10.788408 5.300843 5.325920 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=173) 0 10.575405 4.572974 4.545800 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=173) 0 11.327338 4.809525 6.136686 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=173) 0 9.845857 5.689508 5.711404 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=173) 0 10.068631 6.535826 1.216051 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=173) 0 9.272960 5.631696 0.989170 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=174) 0 10.056154 7.664609 0.502432 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=174) 0 10.720093 8.394303 0.735193 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=174) 0 9.085791 7.921700 -0.568227 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=174) 0 8.096549 7.754856 -0.142613 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=174) 0 9.187042 9.395041 -1.015265 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=174) 0 10.167825 9.796281 -0.766662 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=174) 0 9.081293 9.464644 -2.094361 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=174) 0 8.109082 10.276964 -0.369796 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=174) 0 8.111933 10.130753 0.710191 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=174) 0 8.337384 11.322954 -0.572016 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=174) 0 6.722054 9.962281 -0.918941 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=174) 0 5.989049 9.128858 -0.402401 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=174) 0 6.313732 10.542517 -2.023081 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=174) 0 5.373908 10.350345 -2.354405 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=174) 0 6.886153 11.233558 -2.502391 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=174) 0 9.182778 6.948012 -1.762562 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=174) 0 8.162843 6.705774 -2.411361 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=175) 0 10.344428 6.345987 -2.038338 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=175) 0 11.164331 6.628453 -1.514654 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=175) 0 10.480807 5.260070 -3.016213 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=175) 0 9.892663 5.502889 -3.901241 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=175) 0 11.947028 5.149182 -3.441698 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=175) 0 12.554839 4.804017 -2.605674 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=175) 0 12.033269 4.436001 -4.262434 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=175) 0 12.310280 6.119775 -3.771792 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=175) 0 9.950697 3.919269 -2.479034 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=175) 0 9.173415 3.248910 -3.160122 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=176) 0 10.306846 3.561299 -1.241071 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=176) 0 10.954260 4.155608 -0.733546 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=176) 0 9.801826 2.364061 -0.566432 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=176) 0 10.107900 1.480691 -1.124586 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=176) 0 10.418407 2.319461 0.837180 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=176) 0 10.068410 3.160422 1.434810 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=176) 0 10.125647 1.392395 1.326571 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=176) 0 11.504827 2.365863 0.769605 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=176) 0 8.267464 2.362318 -0.491725 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=176) 0 7.603833 1.381447 -0.812441 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=177) 0 7.693136 3.511313 -0.141729 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=177) 0 8.309076 4.273359 0.130169 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=177) 0 6.252755 3.739060 -0.028359 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=177) 0 5.820789 2.907787 0.527476 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=177) 0 6.055143 5.037930 0.780757 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=177) 0 6.641076 5.826400 0.306656 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=177) 0 5.024040 5.368958 0.735884 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=177) 0 6.483313 4.933694 2.262681 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=177) 0 7.507647 4.571614 2.329141 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=177) 0 6.463913 5.940293 2.685455 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=177) 0 5.625202 4.025208 3.150496 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=177) 0 4.708503 3.315822 2.678662 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=177) 0 5.836345 4.008897 4.385110 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=177) 0 5.513714 3.750128 -1.388351 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=177) 0 4.287517 3.886270 -1.416234 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=178) 0 6.226536 3.579486 -2.510173 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=178) 0 7.231372 3.491008 -2.415144 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=178) 0 5.672561 3.412392 -3.858297 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=178) 0 4.602586 3.625817 -3.836830 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=178) 0 6.330719 4.456978 -4.764401 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=178) 0 7.411581 4.319352 -4.778869 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=178) 0 5.948974 4.362661 -5.781264 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=178) 0 6.094375 5.448991 -4.385748 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=178) 0 5.822626 1.980633 -4.423258 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=178) 0 5.019416 1.575042 -5.273512 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=179) 0 6.782777 1.182965 -3.935240 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=179) 0 7.398694 1.557735 -3.221863 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=179) 0 6.977578 -0.231112 -4.310798 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=179) 0 6.110671 -0.565255 -4.877075 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=179) 0 8.199513 -0.425709 -5.249387 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=179) 0 9.102982 -0.143315 -4.710176 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=179) 0 8.324321 -1.894910 -5.703761 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=179) 0 7.539306 -2.131879 -6.418450 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=179) 0 9.288683 -2.057686 -6.177124 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=179) 0 8.259493 -2.585363 -4.868561 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=179) 0 8.089323 0.466861 -6.509554 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=179) 0 7.127376 0.294090 -6.992278 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=179) 0 8.127700 1.511284 -6.203220 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=179) 0 9.194016 0.245134 -7.554246 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=179) 0 9.123076 -0.749556 -7.991956 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=179) 0 9.078495 0.961505 -8.363152 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=179) 0 10.170640 0.380130 -7.092312 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=179) 0 6.998792 -1.108926 -3.047840 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=179) 0 8.023567 -1.635928 -2.630227 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=180) 0 5.817603 -1.324976 -2.468760 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=180) 0 5.009353 -0.841668 -2.842099 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=180) 0 5.585621 -2.326928 -1.415970 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=180) 0 6.298679 -2.161109 -0.605660 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=180) 0 4.165981 -2.081632 -0.887349 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=180) 0 4.126676 -1.056428 -0.522536 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=180) 0 3.454731 -2.161835 -1.708753 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=180) 0 3.723621 -3.020778 0.235009 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=180) 0 4.056187 -2.744682 1.409956 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=180) 0 2.953663 -3.965853 -0.048807 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=180) 0 5.786441 -3.772988 -1.925835 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=180) 0 5.888076 -4.715772 -1.141461 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=181) 0 5.870406 -3.954514 -3.247041 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=181) 0 5.750546 -3.133286 -3.828733 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=181) 0 6.145811 -5.208991 -3.955147 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=181) 0 5.697063 -6.005593 -3.380090 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=181) 0 5.401286 -5.251464 -5.305661 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=181) 0 5.741013 -6.118494 -5.873365 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=181) 0 4.343487 -5.414026 -5.093781 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=181) 0 5.495558 -3.995060 -6.179093 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=181) 0 5.131305 -2.887736 -5.710562 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=181) 0 5.803464 -4.130309 -7.385970 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=181) 0 7.637335 -5.602788 -3.987026 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=181) 0 8.013088 -6.602161 -4.606302 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=182) 0 8.479539 -4.878516 -3.246935 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=182) 0 8.098119 -4.075652 -2.755719 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=182) 0 9.862210 -5.227631 -2.897159 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=182) 0 10.043991 -6.273622 -3.131559 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=182) 0 10.843022 -4.362615 -3.730083 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=182) 0 10.588614 -3.315768 -3.575059 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=182) 0 12.295362 -4.572148 -3.279835 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=182) 0 12.557161 -5.623129 -3.377693 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=182) 0 12.968160 -3.977324 -3.888465 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=182) 0 12.425973 -4.244289 -2.250135 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=182) 0 10.723821 -4.671967 -5.241368 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=182) 0 10.982028 -5.717843 -5.405175 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=182) 0 9.691667 -4.530934 -5.557334 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=182) 0 11.592420 -3.793156 -6.156841 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=182) 0 12.639423 -4.082735 -6.087031 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=182) 0 11.269909 -3.920220 -7.190594 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=182) 0 11.490265 -2.744172 -5.878941 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=182) 0 10.034245 -5.011535 -1.375663 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=182) 0 9.477753 -4.047342 -0.849115 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=183) 0 10.811555 -5.832409 -0.639375 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=183) 0 11.289950 -7.157492 -0.961670 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=183) 0 12.300447 -7.082769 -1.357537 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=183) 0 10.637322 -7.673848 -1.659039 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=183) 0 11.318141 -7.889983 0.378356 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=183) 0 12.011473 -8.728422 0.375826 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=183) 0 10.313401 -8.218819 0.646684 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=183) 0 11.782045 -6.801368 1.338155 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=183) 0 12.872713 -6.773888 1.343624 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=183) 0 11.407600 -6.973814 2.347181 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=183) 0 11.199144 -5.517755 0.729965 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=183) 0 10.309643 -5.235096 1.293616 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=183) 0 12.209486 -4.370322 0.727782 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=183) 0 13.325734 -4.505121 0.213853 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=184) 0 11.819027 -3.247841 1.321693 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=184) 0 10.891357 -3.226478 1.727489 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=184) 0 12.703586 -2.117632 1.581981 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=184) 0 13.596249 -2.213392 0.971356 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=184) 0 12.032206 -0.796024 1.191101 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=184) 0 10.998069 -0.810627 1.529946 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=184) 0 12.534100 0.012280 1.724197 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=184) 0 12.048219 -0.456962 -0.288179 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=184) 0 11.148681 -1.075071 -1.171522 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=184) 0 10.461074 -1.824183 -0.811254 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=184) 0 11.096320 -0.675434 -2.516413 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=184) 0 10.385119 -1.138561 -3.179618 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=184) 0 11.919084 0.360241 -2.982866 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=184) 0 11.819285 0.701379 -4.000259 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=184) 0 12.832252 0.973560 -2.111088 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=184) 0 13.456844 1.782979 -2.459549 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=184) 0 12.894213 0.559473 -0.769457 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=184) 0 13.554086 1.063843 -0.089602 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=184) 0 13.123399 -2.115032 3.054532 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=184) 0 12.299618 -2.335207 3.940982 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=185) 0 14.388836 -1.803520 3.324825 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=185) 0 15.024180 -1.705896 2.538766 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=185) 0 14.915301 -1.528647 4.662434 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=185) 0 14.107475 -1.561705 5.387838 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=185) 0 15.643921 -2.290507 4.929878 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=185) 0 15.598845 -0.164441 4.738814 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=185) 0 16.071451 0.343032 3.726446 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=186) 0 15.688648 0.436858 5.922350 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=186) 0 15.263052 -0.017640 6.726924 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=186) 0 16.453383 1.671188 6.162010 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=186) 0 17.121844 1.819334 5.316553 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=186) 0 15.525795 2.906130 6.230160 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=186) 0 14.884975 2.875544 5.353528 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=186) 0 14.602723 2.890398 7.460224 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=186) 0 15.175923 3.037097 8.376287 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=186) 0 13.861162 3.683935 7.380512 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=186) 0 14.070122 1.941629 7.519213 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=186) 0 16.347220 4.209931 6.133020 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=186) 0 16.937549 4.347799 7.039830 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=186) 0 17.031662 4.131905 5.287129 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=186) 0 15.481494 5.456378 5.917933 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=186) 0 14.879433 5.654383 6.803473 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=186) 0 16.125859 6.314341 5.725917 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=186) 0 14.820121 5.311192 5.066355 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=186) 0 17.334054 1.522867 7.401099 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=186) 0 16.917617 0.919198 8.386370 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=187) 0 18.550235 2.062901 7.369572 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=187) 0 18.874432 2.492443 6.507093 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=187) 0 19.469482 2.037476 8.511282 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=187) 0 18.881100 1.879760 9.412927 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=187) 0 20.450024 0.860798 8.403625 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=187) 0 19.876917 -0.048406 8.233325 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=187) 0 21.471079 0.983452 7.272572 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=187) 0 22.221474 1.735267 7.515626 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=187) 0 21.955770 0.023845 7.117771 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=187) 0 20.970288 1.254294 6.344976 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=187) 0 21.140750 0.723662 9.623636 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=187) 0 20.538470 0.235780 10.214158 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=187) 0 20.213193 3.355494 8.688481 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=187) 0 20.680986 3.951407 7.716409 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=188) 0 20.364643 3.775137 9.945461 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=188) 0 19.891485 3.256924 10.680033 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=188) 0 21.227520 4.887383 10.358171 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=188) 0 21.641822 5.343745 9.461563 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=188) 0 20.408901 5.980295 11.061181 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=188) 0 21.056119 6.831409 11.271274 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=188) 0 19.611390 6.314227 10.395949 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=188) 0 19.831609 5.532701 12.276416 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=188) 0 19.448232 6.338575 12.707463 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=188) 0 22.445992 4.434874 11.175865 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=188) 0 23.139858 5.270941 11.754623 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=189) 0 22.728167 3.124844 11.239915 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=189) 0 22.145657 2.477830 10.721933 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=189) 0 23.877114 2.576565 11.965543 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=189) 0 24.278686 3.349281 12.624330 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=189) 0 23.428548 1.415455 12.870957 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=189) 0 22.673186 1.772805 13.566311 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=189) 0 22.994728 0.620977 12.266359 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=189) 0 24.588762 0.859895 13.681630 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=189) 0 25.633305 1.478838 13.809688 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=189) 0 24.483093 -0.325772 14.224292 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=189) 0 25.331698 -0.689107 14.663350 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=189) 0 23.667342 -0.904940 14.062977 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=189) 0 25.008918 2.163093 11.010166 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=189) 0 24.824071 1.317518 10.130894 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=190) 0 26.212654 2.701332 11.220088 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=190) 0 26.350681 3.302879 12.020245 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=190) 0 27.364761 2.431574 10.358418 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=190) 0 27.009817 2.532252 9.336890 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=190) 0 28.445788 3.495271 10.528805 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=190) 0 29.237643 3.305512 9.804157 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=190) 0 28.023984 4.481482 10.328542 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=190) 0 28.989048 3.472789 11.831332 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=190) 0 29.942432 3.672889 11.725329 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=190) 0 27.940541 1.011531 10.473795 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=190) 0 28.674267 0.596375 9.576836 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=191) 0 27.547514 0.201032 11.465472 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=191) 0 27.009455 0.594380 12.229467 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=191) 0 27.785553 -1.256175 11.427264 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=191) 0 28.857367 -1.456662 11.432558 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=191) 0 27.136588 -1.946732 12.635917 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=191) 0 26.086902 -1.662533 12.682244 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=191) 0 27.159012 -3.024789 12.483082 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=191) 0 27.824132 -1.658220 13.966320 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=191) 0 29.013530 -2.021826 14.131616 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=191) 0 27.147658 -1.121750 14.872345 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=191) 0 27.178708 -1.888700 10.161469 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=191) 0 27.794721 -2.727691 9.498123 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=192) 0 25.966092 -1.459950 9.800609 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=192) 0 25.539342 -0.718874 10.345270 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=192) 0 25.199805 -2.014101 8.677508 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=192) 0 25.329363 -3.096821 8.679579 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=192) 0 23.694722 -1.716106 8.832676 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=192) 0 23.511514 -0.678725 8.561895 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=192) 0 22.860651 -2.637655 7.934491 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=192) 0 22.988653 -3.673806 8.244989 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=192) 0 21.806101 -2.371200 8.013108 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=192) 0 23.165631 -2.540146 6.895878 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=192) 0 23.207880 -1.934288 10.271097 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=192) 0 23.600680 -1.155659 10.921461 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=192) 0 22.119225 -1.889625 10.313288 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=192) 0 23.550426 -2.902299 10.626588 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=192) 0 25.747600 -1.489823 7.349683 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=192) 0 25.879972 -2.257697 6.401301 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=193) 0 26.174480 -0.220856 7.305964 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=193) 0 26.034948 0.346239 8.130593 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=193) 0 26.975173 0.330306 6.202294 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=193) 0 26.398259 0.326231 5.276722 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=193) 0 27.416057 1.766630 6.530890 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=193) 0 27.847405 1.786464 7.525319 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=193) 0 28.241845 1.994576 5.868642 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=193) 0 26.431112 2.918702 6.420858 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=193) 0 26.783452 4.035105 5.635508 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=193) 0 27.686782 4.022354 5.039657 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=193) 0 25.990735 5.193491 5.653011 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=193) 0 26.276571 6.056482 5.069729 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=193) 0 24.826579 5.236319 6.434110 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=193) 0 24.220469 6.129517 6.432055 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=193) 0 24.447032 4.117028 7.194552 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=193) 0 23.540890 4.147366 7.785263 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=193) 0 25.252405 2.963340 7.193091 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=193) 0 24.962014 2.121780 7.799460 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=193) 0 28.252895 -0.502197 5.973759 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=193) 0 28.558623 -0.892169 4.844979 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=194) 0 28.985361 -0.803415 7.053897 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=194) 0 28.674673 -0.442143 7.947786 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=194) 0 30.276201 -1.505752 7.005233 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=194) 0 30.952445 -0.957616 6.347263 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=194) 0 30.921324 -1.587393 8.392136 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=194) 0 30.308905 -2.223047 9.032767 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=194) 0 31.907062 -2.046099 8.294421 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=194) 0 31.068702 -0.315683 9.004630 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=194) 0 30.169416 0.021365 9.213228 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=194) 0 30.144477 -2.929073 6.462068 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=194) 0 31.023077 -3.382342 5.729621 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=195) 0 29.033270 -3.628830 6.741682 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=195) 0 28.357109 -3.218243 7.377904 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=195) 0 28.756338 -4.964491 6.176231 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=195) 0 29.568257 -5.633008 6.467609 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=195) 0 27.445250 -5.508847 6.773794 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=195) 0 27.527113 -5.493853 7.862313 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=195) 0 26.609895 -4.871776 6.478831 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=195) 0 27.169080 -6.950471 6.314037 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=195) 0 26.906543 -6.949433 5.255802 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=195) 0 28.072305 -7.547463 6.451074 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=195) 0 26.030095 -7.603698 7.100215 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=195) 0 26.304747 -7.643712 8.156223 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=195) 0 25.116498 -7.017783 6.982901 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=195) 0 25.802113 -9.024277 6.572916 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=195) 0 25.401507 -8.968835 5.556178 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=195) 0 26.759818 -9.550231 6.532625 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=195) 0 24.871315 -9.765596 7.446260 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=195) 0 23.980614 -9.288792 7.537925 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=195) 0 24.694132 -10.715666 7.122067 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=195) 0 25.236282 -9.858622 8.392711 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=195) 0 28.735286 -4.967801 4.639319 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=195) 0 29.053142 -5.985685 4.025518 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=196) 0 28.438073 -3.825120 4.018063 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=196) 0 28.195487 -3.028194 4.592684 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=196) 0 28.372362 -3.654230 2.564080 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=196) 0 28.620626 -4.608665 2.100256 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=196) 0 26.919513 -3.347380 2.163057 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=196) 0 26.639714 -2.367996 2.554826 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=196) 0 26.843112 -3.309059 1.076166 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=196) 0 25.950398 -4.401339 2.677926 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=196) 0 25.999975 -5.711810 2.162703 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=196) 0 26.683102 -5.953386 1.359940 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=196) 0 25.197131 -6.724230 2.723297 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=196) 0 25.257628 -7.732619 2.343365 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=196) 0 24.334840 -6.430140 3.801868 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=196) 0 23.601553 -7.416405 4.383362 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=196) 0 23.764364 -8.278736 3.953832 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=196) 0 24.271589 -5.113849 4.305270 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=196) 0 23.620043 -4.895142 5.136964 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=196) 0 25.081161 -4.105399 3.745764 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=196) 0 25.063647 -3.108294 4.161556 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=196) 0 29.426567 -2.674159 2.014257 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=196) 0 29.284027 -2.196373 0.886716 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=197) 0 30.517082 -2.439127 2.758483 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=197) 0 30.572392 -2.886349 3.666428 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=197) 0 31.656016 -1.584028 2.376524 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=197) 0 32.329722 -1.574061 3.233516 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=197) 0 32.441153 -2.197673 1.193211 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=197) 0 31.800926 -2.237513 0.312135 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=197) 0 33.278789 -1.544815 0.947373 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=197) 0 33.003155 -3.601863 1.452070 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=197) 0 32.191039 -4.290331 1.676945 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=197) 0 33.498185 -3.947363 0.547381 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=197) 0 34.013249 -3.621296 2.589604 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=197) 0 33.831662 -4.273858 3.607421 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=197) 0 35.103861 -2.906200 2.481515 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=197) 0 35.764074 -2.916326 3.246182 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=197) 0 35.311232 -2.411568 1.620176 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=197) 0 31.307036 -0.099673 2.142549 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=197) 0 31.955209 0.571631 1.338233 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=198) 0 30.279373 0.434071 2.809562 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=198) 0 29.778188 -0.135787 3.481764 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=198) 0 29.825868 1.810136 2.586461 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=198) 0 30.107341 2.108021 1.576995 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=198) 0 28.289888 1.884968 2.647193 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=198) 0 27.975449 1.702153 3.670932 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=198) 0 27.987553 2.899343 2.382588 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=198) 0 27.538936 0.890802 1.741871 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=198) 0 27.759498 -0.126906 2.061351 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=198) 0 26.040710 1.117201 1.910473 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=198) 0 25.761591 2.105598 1.544081 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=198) 0 25.488045 0.356414 1.364795 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=198) 0 25.780203 1.037705 2.963651 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=198) 0 27.889376 1.027482 0.259074 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=198) 0 28.934527 0.765474 0.097955 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=198) 0 27.266522 0.356738 -0.331652 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=198) 0 27.718874 2.051575 -0.070546 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=198) 0 30.501915 2.799114 3.551837 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=198) 0 30.234283 2.803248 4.752437 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=199) 0 31.337021 3.693113 3.024137 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=199) 0 31.550063 3.618584 2.037262 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=199) 0 31.872989 4.852173 3.758855 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=199) 0 32.078157 4.554175 4.788570 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=199) 0 33.201169 5.290067 3.120983 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=199) 0 33.729526 5.929473 3.829863 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=199) 0 33.823770 4.413409 2.938115 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=199) 0 33.004011 6.059355 1.810476 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=199) 0 32.545222 5.448411 0.815103 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=199) 0 33.308583 7.274330 1.767008 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=199) 0 30.891072 6.039903 3.795498 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=199) 0 31.028197 6.948641 4.616639 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=200) 0 29.916459 6.040873 2.882537 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=200) 0 29.862709 5.222257 2.287486 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=200) 0 29.090983 7.184866 2.480970 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=200) 0 29.227732 8.013277 3.177495 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=200) 0 29.588470 7.603962 1.085127 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=200) 0 30.644008 7.866958 1.158568 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=200) 0 29.515198 6.734445 0.437280 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=200) 0 28.856758 8.776804 0.415438 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=200) 0 27.781020 8.664345 0.508001 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=200) 0 29.141602 9.701607 0.917997 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=200) 0 29.208953 8.879850 -1.079233 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=200) 0 28.782081 9.796584 -1.474398 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=200) 0 30.289405 8.961561 -1.184429 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=200) 0 28.722285 7.703418 -1.942554 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=200) 0 29.087439 7.853847 -2.963211 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=200) 0 29.165664 6.772684 -1.578012 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=200) 0 27.243701 7.595480 -1.960430 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=200) 0 26.831146 8.477334 -2.256546 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=200) 0 26.947091 6.862525 -2.600322 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=200) 0 26.869808 7.382717 -1.039538 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=200) 0 27.615302 6.790778 2.466251 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=200) 0 27.281717 5.654805 2.127796 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=201) 0 26.734017 7.734140 2.779976 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=201) 0 27.070969 8.636289 3.084932 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=201) 0 25.282951 7.550254 2.684729 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=201) 0 25.005653 6.700050 3.307285 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=201) 0 24.574287 8.792403 3.235289 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=201) 0 24.803992 9.644762 2.593672 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=201) 0 23.497605 8.629981 3.203795 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=201) 0 24.990629 9.120378 4.669162 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=201) 0 24.298394 8.711626 5.626337 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=201) 0 25.975352 9.873480 4.849517 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=201) 0 24.814830 7.245404 1.245676 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=201) 0 25.430515 7.669134 0.256715 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=202) 0 23.712387 6.510221 1.107037 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=202) 0 23.210446 6.221055 1.945751 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=202) 0 23.185733 6.085384 -0.190571 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=202) 0 22.692334 6.925587 -0.675521 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=202) 0 24.012134 5.757261 -0.821974 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=202) 0 22.171422 4.952849 -0.093779 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=202) 0 21.535310 4.748908 0.934035 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=203) 0 22.002589 4.207725 -1.184041 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=203) 0 22.595318 4.376731 -1.983665 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=203) 0 21.050238 3.091373 -1.282268 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=203) 0 20.792303 2.750126 -0.280689 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=203) 0 19.746695 3.530133 -1.988853 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=203) 0 19.968086 3.815305 -3.013441 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=203) 0 18.702738 2.412039 -2.024117 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=203) 0 18.479090 2.083313 -1.010162 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=203) 0 17.788368 2.771162 -2.490264 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=203) 0 19.065456 1.571317 -2.612512 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=203) 0 19.107481 4.741331 -1.299648 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=203) 0 19.745099 5.613704 -1.428307 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=203) 0 18.142418 4.970146 -1.741590 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=203) 0 18.971392 4.537214 -0.239184 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=203) 0 21.718690 1.924659 -2.003036 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=203) 0 22.523318 2.136939 -2.909340 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=204) 0 21.385229 0.694583 -1.618550 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=204) 0 20.735366 0.590840 -0.843186 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=204) 0 21.854624 -0.527993 -2.276697 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=204) 0 22.343545 -0.256577 -3.209219 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=204) 0 22.892500 -1.270858 -1.418341 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=204) 0 22.418082 -1.621646 -0.506248 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=204) 0 23.448524 -2.488191 -2.150302 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=204) 0 23.934494 -2.176113 -3.074471 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=204) 0 24.169188 -2.990747 -1.506064 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=204) 0 22.648792 -3.193573 -2.375139 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=204) 0 24.086911 -0.381111 -1.049650 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=204) 0 23.761818 0.444935 -0.418367 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=204) 0 24.826591 -0.962005 -0.499773 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=204) 0 24.547582 0.022735 -1.951598 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=204) 0 20.665419 -1.424654 -2.609195 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=204) 0 19.858461 -1.750556 -1.739191 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=205) 0 20.567860 -1.833701 -3.872730 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=205) 0 21.313837 -1.560071 -4.504904 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=205) 0 19.609501 -2.819791 -4.365339 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=205) 0 18.766861 -2.877262 -3.675014 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=205) 0 19.057175 -2.345681 -5.720120 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=205) 0 18.495351 -1.438259 -5.506970 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=205) 0 19.880216 -2.070938 -6.378349 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=205) 0 18.120330 -3.315718 -6.469232 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=205) 0 17.471805 -3.829439 -5.760284 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=205) 0 17.248967 -2.490897 -7.417462 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=205) 0 17.872493 -1.933070 -8.115517 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=205) 0 16.574438 -3.141038 -7.966856 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=205) 0 16.654937 -1.786906 -6.837687 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=205) 0 18.867968 -4.347626 -7.323639 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=205) 0 19.405179 -5.051297 -6.694131 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=205) 0 18.160596 -4.922522 -7.916591 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=205) 0 19.566574 -3.848712 -7.993023 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=205) 0 20.277419 -4.192022 -4.394911 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=205) 0 21.343751 -4.369221 -4.983747 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=206) 0 19.626905 -5.165998 -3.778513 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=206) 0 18.704437 -4.959575 -3.410210 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=206) 0 20.053378 -6.553576 -3.701930 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=206) 0 21.060259 -6.647604 -4.104487 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=206) 0 20.083200 -7.007840 -2.239931 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=206) 0 19.074286 -6.938774 -1.830533 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=206) 0 20.372247 -8.059081 -2.219819 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=206) 0 21.028865 -6.233034 -1.340512 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=206) 0 20.609063 -5.031873 -0.735799 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=206) 0 19.621487 -4.639916 -0.934296 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=206) 0 21.467732 -4.343474 0.138155 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=206) 0 21.139856 -3.424098 0.598502 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=206) 0 22.748145 -4.852946 0.414528 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=206) 0 23.404052 -4.330936 1.097858 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=206) 0 23.173099 -6.046195 -0.195004 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=206) 0 24.154232 -6.442194 0.022760 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=206) 0 22.317209 -6.733964 -1.073696 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=206) 0 22.644108 -7.658646 -1.528270 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=206) 0 19.119359 -7.436349 -4.529981 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=206) 0 17.941846 -7.125145 -4.713885 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=207) 0 19.650275 -8.546933 -5.032136 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=207) 0 20.638613 -8.715544 -4.874782 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=207) 0 18.888315 -9.591614 -5.722230 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=207) 0 17.955880 -9.747296 -5.177587 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=207) 0 18.554350 -9.148598 -7.159528 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=207) 0 18.061440 -9.970653 -7.679706 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=207) 0 17.853442 -8.314061 -7.122039 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=207) 0 19.793003 -8.710324 -7.950950 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=207) 0 20.180341 -7.775029 -7.543389 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=207) 0 20.558976 -9.476177 -7.869488 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=207) 0 19.453891 -8.512226 -9.425199 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=207) 0 19.134914 -9.464454 -9.841322 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=207) 0 18.657965 -7.775094 -9.525224 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=207) 0 20.701335 -8.034353 -10.158580 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=207) 0 21.046746 -7.102037 -9.705477 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=207) 0 21.500021 -8.771271 -10.033116 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=207) 0 20.446962 -7.810805 -11.593321 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=207) 0 19.721739 -7.116578 -11.735613 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=207) 0 21.289768 -7.444526 -12.025370 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=207) 0 20.267028 -8.677686 -12.100551 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=207) 0 19.635197 -10.922072 -5.696088 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=207) 0 20.829466 -10.958807 -5.397906 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=208) 0 18.956586 -12.016738 -6.031797 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=208) 0 17.964251 -11.894417 -6.220410 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=208) 0 19.509225 -13.386004 -5.962350 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=208) 0 20.355290 -13.370634 -5.272174 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=208) 0 18.467213 -14.329568 -5.339956 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=208) 0 17.588802 -14.394909 -5.985047 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=208) 0 18.902450 -15.323570 -5.243859 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=208) 0 18.054106 -13.825827 -3.945823 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=208) 0 18.944204 -13.590497 -3.360698 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=208) 0 17.464579 -12.915494 -4.051743 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=208) 0 17.230829 -14.864367 -3.186693 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=208) 0 16.406418 -15.206974 -3.814449 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=208) 0 17.866710 -15.712541 -2.929553 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=208) 0 16.672996 -14.229769 -1.914272 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=208) 0 17.494835 -13.824472 -1.318161 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=208) 0 16.019556 -13.405119 -2.201360 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=208) 0 15.912097 -15.218506 -1.127969 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=208) 0 16.546127 -15.859170 -0.657020 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=208) 0 15.351370 -14.764945 -0.415950 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=208) 0 15.276374 -15.743678 -1.728637 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=208) 0 20.122515 -13.891462 -7.280180 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=208) 0 20.268617 -15.097818 -7.481203 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=209) 0 20.466149 -12.973021 -8.182299 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=209) 0 20.378841 -12.003650 -7.923768 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=209) 0 20.995811 -13.242891 -9.521136 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=209) 0 21.630158 -14.128869 -9.471722 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=209) 0 19.828175 -13.544940 -10.482501 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=209) 0 20.226381 -13.698723 -11.485865 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=209) 0 19.378198 -14.491838 -10.181931 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=209) 0 18.718994 -12.505251 -10.543620 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=209) 0 18.674658 -11.572360 -11.597146 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=209) 0 19.435130 -11.585451 -12.365354 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=209) 0 17.624583 -10.638544 -11.671303 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=209) 0 17.587352 -9.942098 -12.495760 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=209) 0 16.620340 -10.625920 -10.684990 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=209) 0 15.801732 -9.922463 -10.743475 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=209) 0 16.656714 -11.559467 -9.636182 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=209) 0 15.870459 -11.569585 -8.892839 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=209) 0 17.695263 -12.504438 -9.574139 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=209) 0 17.690971 -13.247038 -8.789716 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=209) 0 21.882795 -12.086286 -10.020917 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=209) 0 21.876812 -10.994866 -9.451378 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=210) 0 22.646426 -12.330903 -11.088534 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=210) 0 22.578617 -13.250846 -11.501314 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=210) 0 23.699775 -11.454854 -11.633359 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=210) 0 24.221284 -12.015248 -12.408964 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=210) 0 23.090180 -10.224949 -12.336137 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=210) 0 22.698437 -9.543486 -11.582911 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=210) 0 23.878998 -9.702740 -12.879121 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=210) 0 21.978378 -10.575873 -13.329375 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=210) 0 20.996313 -9.795817 -13.397392 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=210) 0 22.099499 -11.617109 -14.022568 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=210) 0 24.771677 -11.136583 -10.572200 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=210) 0 25.117932 -12.014684 -9.775383 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=211) 0 25.315738 -9.917130 -10.522678 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=211) 0 25.043801 -9.237893 -11.223268 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=211) 0 26.245344 -9.486719 -9.459385 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=211) 0 27.096311 -10.169347 -9.457959 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=211) 0 26.798153 -8.082127 -9.772332 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=211) 0 27.672923 -7.920978 -9.141199 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=211) 0 27.137370 -8.056210 -10.807539 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=211) 0 25.831935 -6.910078 -9.529832 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=211) 0 25.575190 -6.885336 -8.472322 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=211) 0 26.346812 -5.977544 -9.768060 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=211) 0 24.553076 -7.000421 -10.362221 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=211) 0 24.634483 -6.885771 -11.608282 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=211) 0 23.469637 -7.233444 -9.780503 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=211) 0 25.620778 -9.545425 -8.047689 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=211) 0 26.329306 -9.671160 -7.045690 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=212) 0 24.288094 -9.481446 -7.960707 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=212) 0 23.775367 -9.340216 -8.824991 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=212) 0 23.500337 -9.651425 -6.739215 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=212) 0 22.500373 -9.970057 -7.018990 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=212) 0 23.944669 -10.442992 -6.137011 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=212) 0 23.386228 -8.406008 -5.857244 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=212) 0 22.591247 -8.401762 -4.912427 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=213) 0 24.158196 -7.348689 -6.132698 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=213) 0 24.776761 -7.415156 -6.932702 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=213) 0 24.229043 -6.133901 -5.310608 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=213) 0 23.243571 -5.943056 -4.886786 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=213) 0 25.211106 -6.394510 -4.157741 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=213) 0 24.907027 -7.308189 -3.644350 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=213) 0 26.212634 -6.544196 -4.561589 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=213) 0 25.215393 -5.265297 -3.123999 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=213) 0 24.246480 -4.774695 -3.155730 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=213) 0 25.327520 -5.694161 -2.127437 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=213) 0 26.330022 -4.232722 -3.346599 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=213) 0 26.549665 -4.124384 -4.409917 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=213) 0 25.970337 -3.274539 -2.979681 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=213) 0 27.550693 -4.622095 -2.618983 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=213) 0 27.839246 -5.594093 -2.708236 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=213) 0 28.225969 -3.880778 -1.762573 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=213) 0 28.013179 -2.602945 -1.608006 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=213) 0 27.358329 -2.119019 -2.217951 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=213) 0 28.469050 -2.119859 -0.842708 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=213) 0 29.138609 -4.409545 -1.002236 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=213) 0 29.317500 -5.412571 -1.012235 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=213) 0 29.635851 -3.805261 -0.369830 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=213) 0 24.638945 -4.916882 -6.141480 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=213) 0 25.657367 -4.940054 -6.818165 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=214) 0 23.851919 -3.848720 -6.062774 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=214) 0 23.042307 -3.910454 -5.456610 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=214) 0 23.926235 -2.678032 -6.935303 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=214) 0 24.857907 -2.690327 -7.506853 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=214) 0 22.732497 -2.725694 -7.910005 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=214) 0 21.803733 -2.787446 -7.347829 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=214) 0 22.708144 -1.807426 -8.497005 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=214) 0 22.808950 -3.897809 -8.866400 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=214) 0 23.301330 -3.772324 -9.975289 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=214) 0 22.341132 -5.058468 -8.475082 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=214) 0 22.622982 -5.867285 -9.037363 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=214) 0 21.969580 -5.163410 -7.549293 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=214) 0 23.891153 -1.402097 -6.088252 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=214) 0 22.929852 -1.187463 -5.351278 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=215) 0 24.914093 -0.555615 -6.184593 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=215) 0 25.651780 -0.750699 -6.856157 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=215) 0 25.035950 0.667721 -5.389279 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=215) 0 24.508033 0.551053 -4.440008 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=215) 0 26.521635 0.900025 -5.093797 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=215) 0 27.045795 0.924052 -6.047114 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=215) 0 26.639180 1.873936 -4.624818 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=215) 0 27.207645 -0.126674 -4.203833 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=215) 0 26.617609 -0.941534 -3.506099 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=215) 0 28.518914 -0.109087 -4.199719 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=215) 0 29.008398 -0.766975 -3.625429 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=215) 0 28.998359 0.559722 -4.785206 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=215) 0 24.430391 1.870383 -6.139758 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=215) 0 24.715153 2.074881 -7.322381 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=216) 0 23.615532 2.683411 -5.466484 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=216) 0 23.416859 2.467382 -4.494769 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=216) 0 22.852779 3.776595 -6.080190 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=216) 0 22.334227 3.374957 -6.951006 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=216) 0 21.789323 4.260025 -5.092539 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=216) 0 21.133956 3.419166 -4.866284 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=216) 0 22.274664 4.577977 -4.168901 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=216) 0 20.950152 5.401885 -5.620153 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=216) 0 19.812398 5.129564 -6.394282 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=216) 0 19.521352 4.108190 -6.557291 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=216) 0 19.059110 6.176518 -6.949873 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=216) 0 18.184906 5.960604 -7.543389 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=216) 0 19.449748 7.505186 -6.729344 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=216) 0 18.883987 8.322329 -7.148700 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=216) 0 20.587174 7.778310 -5.956421 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=216) 0 20.886432 8.799278 -5.794281 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=216) 0 21.337718 6.733745 -5.396882 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=216) 0 22.220092 6.959353 -4.814556 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=216) 0 23.717602 4.948075 -6.568918 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=216) 0 24.626654 5.405849 -5.872607 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=217) 0 23.379070 5.480468 -7.743267 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=217) 0 22.562884 5.112661 -8.215728 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=217) 0 24.167645 6.467863 -8.487417 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=217) 0 25.140634 6.594408 -8.012855 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=217) 0 24.402469 5.937197 -9.909345 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=217) 0 23.434711 5.729040 -10.360870 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=217) 0 24.891982 6.706528 -10.506093 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=217) 0 25.254183 4.661724 -9.952724 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=217) 0 26.306764 4.940293 -9.891899 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=217) 0 25.026388 4.028302 -9.096535 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=217) 0 24.995273 3.858439 -11.228995 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=217) 0 25.138936 4.430365 -12.333408 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=217) 0 24.661598 2.653289 -11.118735 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=217) 0 23.479239 7.841575 -8.550979 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=217) 0 22.314419 7.949930 -8.957622 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=218) 0 24.220006 8.895009 -8.205579 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=218) 0 25.140205 8.730094 -7.815909 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=218) 0 23.757296 10.281317 -8.278219 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=218) 0 24.616298 10.951866 -8.276575 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=218) 0 23.224513 10.420618 -9.217020 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=218) 0 22.836365 10.691507 -7.129572 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=218) 0 22.895169 10.132889 -6.034695 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=219) 0 21.989570 11.689840 -7.365076 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=219) 0 21.949686 12.079214 -8.301329 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=219) 0 21.117460 12.273131 -6.344037 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=219) 0 21.717786 12.437010 -5.449340 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=219) 0 20.629464 13.640379 -6.820294 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=219) 0 21.511177 14.242696 -7.033448 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=219) 0 20.051692 13.518571 -7.737410 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=219) 0 19.768110 14.371473 -5.783130 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=219) 0 18.739851 14.012827 -5.845285 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=219) 0 20.143653 14.142794 -4.783354 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=219) 0 19.807342 15.888818 -5.989580 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=219) 0 19.873153 16.361111 -7.152276 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=219) 0 19.849958 16.614238 -4.965200 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=219) 0 19.945374 11.358352 -5.973378 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=219) 0 19.183315 10.903751 -6.833309 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=220) 0 19.780928 11.104086 -4.673695 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=220) 0 20.429624 11.530462 -4.016401 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=220) 0 18.727295 10.224405 -4.154791 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=220) 0 18.666160 9.338916 -4.784843 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=220) 0 19.034152 9.756132 -2.721511 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=220) 0 18.993884 10.620138 -2.067536 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=220) 0 18.000060 8.727039 -2.254461 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=220) 0 18.070281 7.834633 -2.875263 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=220) 0 18.186908 8.461781 -1.216628 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=220) 0 16.991994 9.137083 -2.309850 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=220) 0 20.415407 9.107445 -2.571970 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=220) 0 21.195740 9.807842 -2.865409 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=220) 0 20.586335 8.836002 -1.531151 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=220) 0 20.481805 8.213742 -3.188479 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=220) 0 17.381341 10.944129 -4.207493 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=220) 0 17.092211 11.793635 -3.364627 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=221) 0 16.536201 10.575659 -5.167413 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=221) 0 16.850926 9.906580 -5.853565 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=221) 0 15.133638 11.012335 -5.245620 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=221) 0 14.875128 11.478816 -4.303930 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=221) 0 14.868858 12.069799 -6.334412 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=221) 0 14.006408 12.640136 -6.001466 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=221) 0 16.011610 13.055296 -6.567011 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=221) 0 16.882723 12.538848 -6.965850 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=221) 0 15.696748 13.816125 -7.281108 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=221) 0 16.276547 13.536755 -5.626163 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=221) 0 14.524716 11.497270 -7.574550 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=221) 0 13.652270 11.889492 -7.793202 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=221) 0 14.211814 9.810678 -5.423444 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=221) 0 14.666892 8.764797 -5.890289 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=222) 0 12.916837 9.940957 -5.102192 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=222) 0 12.607908 10.806133 -4.666458 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=222) 0 11.909605 8.909194 -5.401750 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=222) 0 12.135459 8.018636 -4.819116 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=222) 0 10.508175 9.415193 -5.010452 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=222) 0 10.486493 9.578107 -3.932652 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=222) 0 10.317734 10.369959 -5.505533 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=222) 0 9.396747 8.420080 -5.400362 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=222) 0 9.395871 8.288063 -6.482175 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=222) 0 9.588744 7.456890 -4.930689 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=222) 0 8.007880 8.917515 -4.990105 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=222) 0 7.934150 8.948633 -3.905786 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=222) 0 7.882151 9.922883 -5.383708 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=222) 0 6.910276 8.004519 -5.552110 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=222) 0 6.934404 8.061216 -6.644142 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=222) 0 7.132744 6.975781 -5.260905 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=222) 0 5.561249 8.382829 -5.061299 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=222) 0 5.358674 9.359703 -5.267141 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=222) 0 4.838492 7.797350 -5.482496 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=222) 0 5.482893 8.245271 -4.057015 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=222) 0 11.968211 8.504308 -6.874371 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=222) 0 12.029465 7.320590 -7.183078 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=223) 0 12.006610 9.482231 -7.773329 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=223) 0 12.026698 10.439015 -7.435052 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=223) 0 12.031477 9.263906 -9.220022 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=223) 0 11.170572 8.654062 -9.499415 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=223) 0 11.927190 10.606554 -9.963775 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=223) 0 12.839290 11.188880 -9.830184 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=223) 0 11.842302 10.379397 -11.024205 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=223) 0 10.703766 11.453074 -9.568197 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=223) 0 10.472757 12.111136 -10.404867 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=223) 0 9.844476 10.792450 -9.433536 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=223) 0 10.882195 12.324087 -8.310668 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=223) 0 11.964101 12.321149 -7.674610 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=223) 0 9.900933 13.011941 -7.927774 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=223) 0 13.290524 8.500330 -9.653742 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=223) 0 13.183565 7.458778 -10.304884 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=224) 0 14.469970 8.956813 -9.216839 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=224) 0 14.481437 9.807109 -8.661916 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=224) 0 15.749246 8.313668 -9.518098 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=224) 0 15.832807 8.181440 -10.598805 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=224) 0 16.895496 9.219348 -9.032305 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=224) 0 16.730667 9.494511 -7.991111 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=224) 0 17.828642 8.662735 -9.100066 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=224) 0 17.096591 10.479129 -9.852152 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=224) 0 16.655741 10.599192 -10.989073 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=224) 0 17.850814 11.419488 -9.334260 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=224) 0 18.011858 12.265878 -9.858558 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=224) 0 18.282130 11.277898 -8.423987 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=224) 0 15.869617 6.914679 -8.893071 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=224) 0 16.520553 6.048344 -9.470703 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=225) 0 15.251604 6.666519 -7.733929 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=225) 0 14.770436 7.434171 -7.274787 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=225) 0 15.223528 5.350099 -7.088489 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=225) 0 16.219166 4.920453 -7.127568 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=225) 0 14.804036 5.503089 -5.621920 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=225) 0 13.960972 6.192329 -5.569098 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=225) 0 14.465952 4.537023 -5.243398 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=225) 0 15.945356 6.002952 -4.725078 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=225) 0 16.451639 6.853412 -5.181297 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=225) 0 15.356816 6.423588 -3.384971 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=225) 0 14.770997 5.601437 -2.980789 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=225) 0 16.147971 6.678167 -2.685287 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=225) 0 14.712338 7.292379 -3.524004 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=225) 0 16.961060 4.892156 -4.451047 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=225) 0 17.317610 4.456418 -5.379451 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=225) 0 17.818334 5.314504 -3.930704 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=225) 0 16.502667 4.106557 -3.852934 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=225) 0 14.305382 4.366152 -7.811309 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=225) 0 14.686030 3.211938 -8.002715 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=226) 0 13.135737 4.822999 -8.260806 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=226) 0 12.871389 5.779695 -8.043612 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=226) 0 12.255978 4.035496 -9.120527 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=226) 0 12.034628 3.088085 -8.629627 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=226) 0 10.939017 4.805437 -9.338174 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=226) 0 11.190089 5.802505 -9.690570 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=226) 0 10.360451 4.308280 -10.118072 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=226) 0 10.048454 4.955353 -8.087211 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=226) 0 10.633185 5.322319 -7.248942 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=226) 0 8.916380 5.945486 -8.362961 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=226) 0 8.296156 5.581147 -9.183958 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=226) 0 8.300100 6.057000 -7.473182 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=226) 0 9.335849 6.913958 -8.633891 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=226) 0 9.419156 3.639112 -7.653875 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=226) 0 10.197655 2.928988 -7.384484 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=226) 0 8.788069 3.803603 -6.781967 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=226) 0 8.809213 3.238913 -8.464415 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=226) 0 12.969379 3.690607 -10.440210 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=226) 0 12.932171 2.537719 -10.859387 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=227) 0 13.691944 4.629441 -11.061990 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=227) 0 13.682882 5.574446 -10.688324 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=227) 0 14.519989 4.344960 -12.247050 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=227) 0 13.898577 3.868678 -13.004803 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=227) 0 15.073193 5.648895 -12.839667 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=227) 0 15.568135 6.226364 -12.057823 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=227) 0 15.817832 5.398709 -13.595555 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=227) 0 13.992867 6.494945 -13.509874 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=227) 0 13.223350 5.952891 -14.340100 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=227) 0 13.906063 7.710840 -13.226974 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=227) 0 15.665581 3.362270 -11.944197 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=227) 0 15.844929 2.375364 -12.652172 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=228) 0 16.407890 3.558268 -10.855527 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=228) 0 16.251580 4.404841 -10.317454 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=228) 0 17.455709 2.636398 -10.399649 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=228) 0 18.246037 2.599795 -11.149660 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=228) 0 18.035254 3.215593 -9.107028 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=228) 0 18.680316 4.054216 -9.368475 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=228) 0 17.217002 3.623118 -8.521008 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=228) 0 18.803500 2.275089 -8.203031 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=228) 0 20.128814 1.913020 -8.507198 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=228) 0 20.580957 2.225367 -9.438236 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=228) 0 20.881745 1.171375 -7.580361 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=228) 0 21.900896 0.894358 -7.810392 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=228) 0 20.324813 0.825615 -6.338007 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=228) 0 20.921194 0.297770 -5.610929 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=228) 0 18.995434 1.168411 -6.040071 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=228) 0 18.566966 0.899000 -5.085107 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=228) 0 18.227321 1.872632 -6.981385 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=228) 0 17.209541 2.150936 -6.742763 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=228) 0 16.942615 1.198690 -10.212928 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=228) 0 17.651453 0.253616 -10.559284 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=229) 0 15.700049 1.025896 -9.753264 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=229) 0 15.194511 1.854381 -9.452237 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=229) 0 15.005637 -0.267864 -9.689856 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=229) 0 15.668135 -0.992332 -9.217072 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=229) 0 13.750186 -0.113903 -8.794301 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=229) 0 13.229758 0.794441 -9.091750 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=229) 0 12.740867 -1.271193 -8.898812 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=229) 0 13.138288 -2.155980 -8.410701 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=229) 0 11.814773 -0.997578 -8.394182 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=229) 0 12.503298 -1.501025 -9.936337 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=229) 0 14.205242 0.039545 -7.323576 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=229) 0 14.544759 -0.923842 -6.944474 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=229) 0 15.046580 0.728509 -7.262546 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=229) 0 13.118674 0.571569 -6.389542 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=229) 0 12.341699 -0.179197 -6.248835 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=229) 0 13.573221 0.797918 -5.425494 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=229) 0 12.683781 1.484435 -6.797515 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=229) 0 14.724184 -0.797467 -11.108250 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=229) 0 15.145083 -1.914760 -11.431043 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=230) 0 14.103181 0.004166 -11.987709 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=230) 0 13.829978 0.932204 -11.672208 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=230) 0 13.844318 -0.353802 -13.402235 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=230) 0 13.139383 -1.185922 -13.446462 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=230) 0 13.238160 0.845500 -14.156311 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=230) 0 13.921444 1.688527 -14.074938 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=230) 0 13.163910 0.593746 -15.215353 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=230) 0 11.841686 1.269769 -13.669613 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=230) 0 11.119768 0.521754 -13.976138 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=230) 0 11.817171 1.309074 -12.586342 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=230) 0 11.427723 2.627825 -14.259833 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=230) 0 12.309656 3.137939 -14.643052 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=230) 0 10.739847 2.458056 -15.088239 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=230) 0 10.759192 3.542701 -13.229601 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=230) 0 9.756397 3.166079 -13.003265 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=230) 0 11.348641 3.520688 -12.312524 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=230) 0 10.688225 4.934412 -13.732195 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=230) 0 10.067237 5.001678 -14.534852 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=230) 0 10.380201 5.582648 -13.010645 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=230) 0 11.606520 5.271768 -14.021919 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=230) 0 15.110694 -0.805113 -14.144374 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=230) 0 15.026265 -1.685840 -14.997863 L N-N--0.415700(PDBName=N,ResName=HID,ResNum=231) 0 16.274106 -0.248610 -13.804807 L H-H-0.271900(PDBName=H,ResName=HID,ResNum=231) 0 16.226815 0.542923 -13.172286 L C-CT-0.018800(PDBName=CA,ResName=HID,ResNum=231) 0 17.550014 -0.503932 -14.483693 L H-H1-0.088100(PDBName=HA,ResName=HID,ResNum=231) 0 17.334278 -0.966365 -15.447833 L C-CT--0.046200(PDBName=CB,ResName=HID,ResNum=231) 0 18.224375 0.847295 -14.795408 L H-HC-0.040200(PDBName=HB2,ResName=HID,ResNum=231) 0 18.476766 1.344938 -13.857814 L H-HC-0.040200(PDBName=HB3,ResName=HID,ResNum=231) 0 19.149963 0.667046 -15.342999 L C-CC--0.026600(PDBName=CG,ResName=HID,ResNum=231) 0 17.368601 1.771416 -15.634885 L N-NA--0.381100(PDBName=ND1,ResName=HID,ResNum=231) 0 16.854171 1.495576 -16.879983 L H-H-0.364900(PDBName=HD1,ResName=HID,ResNum=231) 0 17.070673 0.681330 -17.451336 L C-CR-0.205700(PDBName=CE1,ResName=HID,ResNum=231) 0 16.109945 2.540799 -17.271810 L H-H5-0.139200(PDBName=HE1,ResName=HID,ResNum=231) 0 15.588964 2.605327 -18.219137 L N-NB--0.572700(PDBName=NE2,ResName=HID,ResNum=231) 0 16.123160 3.508262 -16.335910 L C-CV-0.129200(PDBName=CD2,ResName=HID,ResNum=231) 0 16.941977 3.029740 -15.303838 L H-H4-0.114700(PDBName=HD2,ResName=HID,ResNum=231) 0 17.188421 3.557651 -14.394394 L C-C-0.597300(PDBName=C,ResName=HID,ResNum=231) 0 18.492898 -1.497693 -13.762298 L O-O--0.567900(PDBName=O,ResName=HID,ResNum=231) 0 19.623664 -1.678161 -14.224413 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=232) 0 18.089268 -2.145404 -12.651295 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=232) 0 17.166641 -1.939458 -12.289190 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=232) 0 18.963801 -3.092164 -11.919522 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=232) 0 19.715752 -3.468766 -12.616848 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=232) 0 19.723558 -2.341769 -10.804304 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=232) 0 19.017625 -1.850598 -10.139702 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=232) 0 20.283745 -3.067445 -10.216688 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=232) 0 20.731482 -1.326126 -11.324679 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=232) 0 21.839919 -1.665248 -11.710372 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=232) 0 20.397307 -0.061764 -11.367708 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=232) 0 21.106094 0.589161 -11.689869 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=232) 0 19.470756 0.211988 -11.061716 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=232) 0 18.300432 -4.377914 -11.358264 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=232) 0 18.988678 -5.399011 -11.277656 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=233) 0 17.010999 -4.392808 -10.981907 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=233) 0 16.461925 -3.551614 -11.106089 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=233) 0 16.302896 -5.653622 -10.638284 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=233) 0 17.045871 -6.377780 -10.308985 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=233) 0 15.381519 -5.488028 -9.419598 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=233) 0 14.879549 -6.433508 -9.242284 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=233) 0 16.025784 -5.316149 -8.560727 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=233) 0 14.326338 -4.377844 -9.413582 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=233) 0 13.942844 -4.283804 -8.399988 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=233) 0 14.797462 -3.432612 -9.644496 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=233) 0 13.132850 -4.633475 -10.325613 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=233) 0 12.182243 -5.301806 -9.936894 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=233) 0 13.147735 -4.112535 -11.532662 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=233) 0 13.915202 -3.526178 -11.832238 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=233) 0 12.368334 -4.272558 -12.160166 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=233) 0 15.666037 -6.318441 -11.873120 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=233) 0 16.043727 -5.959713 -12.979280 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=234) 0 14.793504 -7.325426 -11.734681 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=234) 0 14.524849 -7.635349 -10.811650 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=234) 0 14.068206 -7.936603 -12.863208 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=234) 0 13.794823 -7.140663 -13.555301 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=234) 0 14.997006 -8.944282 -13.582681 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=234) 0 15.995420 -8.520454 -13.687401 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=234) 0 15.075971 -9.829878 -12.952903 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=234) 0 14.522480 -9.392120 -14.978212 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=234) 0 13.461730 -9.603723 -14.955368 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=234) 0 14.769829 -8.330272 -16.048822 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=234) 0 15.837332 -8.181635 -16.192530 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=234) 0 14.327780 -8.657636 -16.989906 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=234) 0 14.308819 -7.385987 -15.762311 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=234) 0 15.264277 -10.661224 -15.398621 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=234) 0 15.032554 -11.462153 -14.694840 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=234) 0 14.925379 -10.971565 -16.387065 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=234) 0 16.339648 -10.490187 -15.414180 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=234) 0 12.794182 -8.663594 -12.366840 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=234) 0 12.876863 -9.336501 -11.335750 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=235) 0 11.648448 -8.574882 -13.072401 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=235) 0 11.359748 -7.627093 -14.143766 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=235) 0 12.112672 -7.661235 -14.929851 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=235) 0 11.296233 -6.620668 -13.727295 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=235) 0 10.001772 -8.033175 -14.716564 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=235) 0 10.144968 -8.744338 -15.531871 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=235) 0 9.429307 -7.171008 -15.057448 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=235) 0 9.329082 -8.731079 -13.536416 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=235) 0 8.534607 -9.404668 -13.861022 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=235) 0 8.935411 -7.990389 -12.846467 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=235) 0 10.495498 -9.459074 -12.867355 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=235) 0 10.288395 -9.579119 -11.803701 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=235) 0 10.699003 -10.850049 -13.494755 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=235) 0 11.641533 -11.069055 -14.251671 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=236) 0 9.782527 -11.780874 -13.216340 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=236) 0 8.990070 -11.519985 -12.649018 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=236) 0 9.702269 -13.096990 -13.862396 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=236) 0 10.425170 -13.152681 -14.677048 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=236) 0 10.006720 -14.226186 -12.854673 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=236) 0 9.337113 -14.126798 -11.999260 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=236) 0 9.748628 -15.168369 -13.340966 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=236) 0 11.450358 -14.389680 -12.335998 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=236) 0 11.477800 -15.353776 -11.832851 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=236) 0 12.492687 -14.446614 -13.453305 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=236) 0 12.584442 -13.475751 -13.938271 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=236) 0 13.459269 -14.723718 -13.032855 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=236) 0 12.199342 -15.194510 -14.189647 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=236) 0 11.874797 -13.339052 -11.304446 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=236) 0 11.120829 -13.268872 -10.521446 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=236) 0 12.823259 -13.632548 -10.857012 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=236) 0 12.013945 -12.369927 -11.775621 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=236) 0 8.312868 -13.290976 -14.494935 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=236) 0 7.331417 -12.724427 -14.007892 L N-N--0.382100(PDBName=N,ResName=VAL,ResNum=237) 0 8.248678 -14.087861 -15.567469 L H-H-0.268100(PDBName=H,ResName=VAL,ResNum=237) 0 9.092045 -14.549086 -15.886815 L C-CT--0.343800(PDBName=CA,ResName=VAL,ResNum=237) 0 7.043051 -14.475527 -16.326728 L H-H1-0.143800(PDBName=HA,ResName=VAL,ResNum=237) 0 6.226624 -14.650958 -15.630424 L C-CT-0.194000(PDBName=CB,ResName=VAL,ResNum=237) 0 6.630548 -13.346034 -17.290617 L H-HC-0.030800(PDBName=HB,ResName=VAL,ResNum=237) 0 6.527869 -12.432479 -16.701912 L C-CT--0.306400(PDBName=CG1,ResName=VAL,ResNum=237) 0 7.662734 -13.073260 -18.392536 L H-HC-0.083600(PDBName=HG11,ResName=VAL,ResNum=237) 0 7.339625 -12.231990 -19.003259 L H-HC-0.083600(PDBName=HG12,ResName=VAL,ResNum=237) 0 8.627035 -12.837823 -17.944169 L H-HC-0.083600(PDBName=HG13,ResName=VAL,ResNum=237) 0 7.775623 -13.956660 -19.022085 L C-CT--0.306400(PDBName=CG2,ResName=VAL,ResNum=237) 0 5.266799 -13.617778 -17.932235 L H-HC-0.083600(PDBName=HG21,ResName=VAL,ResNum=237) 0 4.532362 -13.812483 -17.151202 L H-HC-0.083600(PDBName=HG22,ResName=VAL,ResNum=237) 0 4.952150 -12.754427 -18.516029 L H-HC-0.083600(PDBName=HG23,ResName=VAL,ResNum=237) 0 5.328440 -14.492206 -18.581179 L C-C-0.835000(PDBName=C,ResName=VAL,ResNum=237) 0 7.277124 -15.810177 -17.039084 L O-O2--0.817300(PDBName=O,ResName=VAL,ResNum=237) 0 6.286001 -16.551321 -17.204352 L O-O2--0.817300(PDBName=OXT,ResName=VAL,ResNum=237) 0 8.457166 -16.079769 -17.361143 L C-C-1.004947(PDBName=C18,ResName=GDS,ResNum=238) 0 -24.764886 -15.820682 -11.265378 L H-H1 94 0.0000 O-O2--0.856478(PDBName=O5,ResName=GDS,ResNum=238) 0 -24.301482 -14.889193 -11.948803 L O-O2--0.856478(PDBName=O6,ResName=GDS,ResNum=238) 0 -25.360056 -15.750236 -10.173614 L C-CT-0.021774(PDBName=C10,ResName=GDS,ResNum=238) 0 -24.315333 -21.011630 -5.844190 L H-HC 101 0.0000 C-CT-0.090430(PDBName=C6,ResName=GDS,ResNum=238) 0 -25.051999 -22.249132 -5.338998 L C-C-0.795436(PDBName=C20,ResName=GDS,ResNum=238) 0 -24.185787 -22.936650 -4.263256 L O-O2--0.768529(PDBName=O7,ResName=GDS,ResNum=238) 0 -24.624118 -23.032754 -3.098195 L O-O2--0.768529(PDBName=O8,ResName=GDS,ResNum=238) 0 -23.066312 -23.398997 -4.583754 L N-N3--0.516764(PDBName=N6,ResName=GDS,ResNum=238) 0 -26.417570 -21.855762 -4.885148 L H-H-0.336685(PDBName=H23,ResName=GDS,ResNum=238) 0 -26.932680 -22.646971 -4.510728 L H-H-0.336685(PDBName=H24,ResName=GDS,ResNum=238) 0 -26.375005 -21.149747 -4.153342 L H-H-0.336685(PDBName=H26,ResName=GDS,ResNum=238) 0 -26.944008 -21.467373 -5.665081 L H-HP-0.075961(PDBName=H8,ResName=GDS,ResNum=238) 0 -25.154963 -22.948516 -6.168642 L H-HC-0.040870(PDBName=H15,ResName=GDS,ResNum=238) 0 -25.051983 -20.274957 -6.174586 L H-HC-0.040870(PDBName=H16,ResName=GDS,ResNum=238) 0 -23.766976 -20.592572 -5.006501 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=239) -1 -7.707793 -11.068441 -4.902132 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=239) -1 -7.283989 -10.395551 -5.509451 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=239) -1 -7.121736 -10.940311 -4.125466 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=240) -1 -6.208933 5.334167 9.697104 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=240) -1 -5.385285 5.726824 9.329206 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=240) -1 -5.975333 4.378245 9.620823 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=242) -1 17.169332 -10.445375 -2.576605 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=242) -1 16.253962 -10.770547 -2.711320 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=242) -1 17.204784 -10.460030 -1.595535 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=243) -1 -3.677631 4.635786 2.013241 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=243) -1 -4.071580 5.512699 2.235494 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=243) -1 -4.146816 4.081298 2.669732 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=244) -1 31.521488 -1.603653 14.975127 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=244) -1 30.641370 -1.726186 14.546936 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=244) -1 32.015803 -1.192213 14.235495 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=245) -1 -1.395302 3.791601 15.195059 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=245) -1 -1.380376 3.453549 14.261303 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=245) -1 -1.059280 2.986631 15.645861 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=246) -1 -11.265985 -21.024264 -0.511196 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=246) -1 -11.175139 -20.277728 0.117591 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=246) -1 -11.847101 -20.616236 -1.192125 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=248) -1 -12.766233 -22.757645 -3.056334 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=248) -1 -11.801373 -22.945938 -3.073034 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=248) -1 -12.737835 -21.800348 -2.806566 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=250) -1 -9.317671 -13.283231 -4.535615 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=250) -1 -8.757763 -12.502391 -4.728609 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=250) -1 -10.208760 -12.906754 -4.614196 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=251) -1 -15.496858 -11.549035 -11.578131 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=251) -1 -15.774307 -12.372454 -12.083636 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=251) -1 -16.188132 -11.564060 -10.891448 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=253) -1 -9.416261 -20.117372 -2.314405 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=253) -1 -9.210719 -19.282351 -1.835866 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=253) -1 -9.937228 -20.581570 -1.620877 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=255) -1 -14.279474 -9.790382 -13.106043 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=255) -1 -13.359314 -9.916283 -12.775832 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=255) -1 -14.725588 -10.488025 -12.543744 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=257) -1 -24.922260 -14.388896 -14.365816 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=257) -1 -24.264642 -13.651211 -14.484565 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=257) -1 -24.687384 -14.614454 -13.417504 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=258) -1 -14.541837 -24.712601 -2.996075 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=258) -1 -13.916656 -23.944558 -3.080467 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=258) -1 -15.225785 -24.417929 -3.648109 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=259) -1 -21.637647 -15.177888 -11.972212 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=259) -1 -22.603682 -15.006552 -12.016889 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=259) -1 -21.309951 -14.547238 -12.639158 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=260) -1 -22.871101 -23.905231 -1.391272 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=260) -1 -22.589127 -24.703656 -1.897963 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=260) -1 -23.538208 -23.552808 -2.045360 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=261) -1 -21.184366 -11.438225 -12.411811 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=261) -1 -20.337619 -11.053184 -12.096596 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=261) -1 -20.846333 -12.238925 -12.866939 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=262) -1 -25.708005 -13.103461 -10.796142 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=262) -1 -25.182707 -13.706509 -11.392655 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=262) -1 -25.555748 -13.583471 -9.951533 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=263) -1 -27.545631 -14.905783 -14.441256 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=263) -1 -26.572906 -14.712348 -14.393574 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=263) -1 -27.874243 -14.035172 -14.716100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=264) -1 -18.004930 -12.540060 -14.451037 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=264) -1 -17.625338 -11.625132 -14.461760 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=264) -1 -17.376209 -12.943674 -13.788633 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=266) -1 -28.443153 -13.505134 -10.645161 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=266) -1 -27.553324 -13.129301 -10.837403 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=266) -1 -28.200380 -14.458165 -10.578484 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=267) -1 -29.556628 -16.069932 -8.431396 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=267) -1 -30.340141 -15.788242 -8.964121 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=267) -1 -28.878493 -16.041489 -9.155070 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=269) -1 -19.021200 -16.775592 6.813716 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=269) -1 -19.591160 -17.517098 6.570102 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=269) -1 -19.201228 -16.139868 6.095858 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=270) -1 7.588763 -2.874709 -12.471994 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=270) -1 8.014256 -2.968555 -11.589263 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=270) -1 7.621808 -3.814859 -12.765814 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=271) -1 -20.006195 -18.739391 3.062759 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=271) -1 -20.974551 -18.659542 2.994935 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=271) -1 -19.737435 -18.549208 2.139719 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=272) -1 30.212656 11.914893 -2.462735 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=272) -1 29.921901 12.311936 -3.323083 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=272) -1 29.339410 11.908926 -2.003328 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=273) -1 -16.250511 -16.653820 -16.829123 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=273) -1 -16.022214 -16.479972 -17.755609 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=273) -1 -16.728898 -15.806540 -16.614809 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=274) -1 25.200616 -4.522384 -12.769765 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=274) -1 25.137139 -5.346680 -12.233066 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=274) -1 24.259796 -4.256271 -12.782338 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=275) -1 -13.199152 27.096657 2.680769 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=275) -1 -12.434850 26.499006 2.527510 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=275) -1 -13.186174 27.135353 3.664093 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=276) -1 20.218915 -16.441118 -0.318774 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=276) -1 19.311522 -16.255687 0.054345 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=276) -1 20.753704 -16.158802 0.449552 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=277) -1 0.307190 -14.812308 -9.750055 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=277) -1 0.405417 -14.976833 -8.774597 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=277) -1 1.123999 -14.318665 -9.916854 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=278) -1 -27.616320 -10.271949 -8.458956 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=278) -1 -26.886961 -10.257758 -9.112916 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=278) -1 -27.681354 -9.309217 -8.255748 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=279) -1 25.560578 -9.726281 -16.727962 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=279) -1 24.847315 -9.047581 -16.666304 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=279) -1 25.040545 -10.519575 -16.439358 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=280) -1 19.743271 8.182672 -14.904567 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=280) -1 19.807890 9.176345 -14.923116 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=280) -1 19.939411 7.987001 -15.833975 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=281) -1 2.080784 -1.339808 -8.214427 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=281) -1 3.010452 -1.111010 -7.963981 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=281) -1 1.668567 -0.447027 -8.097763 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=282) -1 -21.065275 -3.248776 -17.628044 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=282) -1 -21.706513 -3.690043 -17.007799 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=282) -1 -21.382999 -3.597103 -18.473250 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=283) -1 -23.713269 23.124839 -4.671580 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=283) -1 -23.299835 23.092753 -5.559627 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=283) -1 -24.647188 22.935428 -4.907866 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=284) -1 -7.561011 -18.661209 11.424600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=284) -1 -8.549227 -18.726415 11.375640 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=284) -1 -7.481110 -17.723152 11.717399 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=285) -1 -23.378618 21.600740 10.101336 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=285) -1 -23.135484 20.942918 9.406936 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=285) -1 -24.043078 21.104375 10.596366 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=286) -1 1.946137 8.659016 7.668176 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=286) -1 2.140715 8.189572 8.494139 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=286) -1 2.464204 8.109498 7.029462 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=287) -1 21.825875 12.608887 -2.938754 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=287) -1 22.001615 12.218770 -2.046436 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=287) -1 21.673689 13.545144 -2.668364 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=288) -1 -13.775632 24.035511 -16.090262 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=288) -1 -13.268350 23.541520 -16.749931 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=288) -1 -14.655503 24.089236 -16.533609 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=289) -1 -15.233428 17.111398 2.553468 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=289) -1 -16.000752 16.694213 3.018670 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=289) -1 -14.681963 17.344219 3.337848 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=291) -1 10.070431 19.490287 16.554676 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=291) -1 10.765413 19.302649 15.879258 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=291) -1 9.667222 18.619054 16.643823 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=292) -1 26.772739 1.493354 -9.879636 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=292) -1 27.456490 2.174907 -10.051462 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=292) -1 26.043326 1.832435 -10.446153 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=293) -1 -13.607702 7.163540 -12.240718 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=293) -1 -13.067191 6.567036 -12.809593 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=293) -1 -13.027985 7.188446 -11.439908 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=294) -1 -21.384167 -6.626584 15.737740 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=294) -1 -21.380248 -6.705608 14.751508 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=294) -1 -20.542683 -7.101101 15.932598 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=295) -1 -10.860492 15.173920 -6.450954 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=295) -1 -11.486726 14.779378 -7.112449 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=295) -1 -10.328834 14.358872 -6.258973 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=296) -1 -21.711235 2.305906 -11.388594 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=296) -1 -20.925804 2.516239 -11.953793 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=296) -1 -21.257331 1.859125 -10.640116 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=297) -1 -13.772692 8.965497 13.320763 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=297) -1 -14.397656 8.206738 13.395112 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=297) -1 -12.918825 8.472279 13.322237 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=298) -1 35.143465 -0.343318 11.376230 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=298) -1 35.082812 -0.445579 10.384589 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=298) -1 35.954342 -0.850280 11.538429 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=299) -1 19.278730 13.536435 -11.080689 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=299) -1 19.135214 14.232446 -11.741081 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=299) -1 19.183045 12.731963 -11.646495 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=301) -1 26.177666 -7.842476 -13.493492 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=301) -1 25.620228 -7.481694 -12.755428 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=301) -1 25.891813 -7.222611 -14.207759 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=302) -1 -10.160956 4.105541 15.251126 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=302) -1 -9.445375 3.900393 14.599452 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=302) -1 -10.818284 4.508287 14.631200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=303) -1 18.512938 3.202221 -22.750238 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=303) -1 18.706872 2.672019 -21.956077 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=303) -1 17.573544 3.425935 -22.597465 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=304) -1 -21.022532 13.094886 12.725373 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=304) -1 -21.425585 13.261825 11.830315 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=304) -1 -21.764621 13.351361 13.292302 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=305) -1 -18.966418 1.337469 10.635984 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=305) -1 -19.710212 1.957233 10.549762 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=305) -1 -18.218507 1.957813 10.752770 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=306) -1 7.361578 -3.526936 5.134720 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=306) -1 8.224218 -3.568395 4.670600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=306) -1 6.771883 -3.379485 4.356443 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=307) -1 4.945499 -10.510717 10.901235 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=307) -1 4.405608 -9.685050 10.902195 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=307) -1 5.766265 -10.144094 10.475038 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=308) -1 12.505074 13.757428 -11.501515 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=308) -1 12.532624 13.054667 -12.190833 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=308) -1 13.439506 13.821107 -11.265007 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=309) -1 -10.323766 19.325944 -11.180217 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=309) -1 -10.440854 18.856673 -12.041715 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=309) -1 -10.280651 18.539408 -10.581899 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=310) -1 -10.544166 -1.068666 11.170784 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=310) -1 -10.911180 -1.703474 11.817923 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=310) -1 -9.780774 -0.718742 11.683079 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=311) -1 23.848708 15.472413 -6.571878 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=311) -1 23.488143 16.312148 -6.955752 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=311) -1 23.418643 15.545079 -5.675143 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=312) -1 -11.842296 14.437012 -0.408747 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=312) -1 -12.545671 15.014744 -0.012387 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=312) -1 -12.413865 13.649069 -0.608090 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=313) -1 0.383224 -3.745851 14.623114 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=313) -1 0.548049 -4.319958 15.405896 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=313) -1 1.280132 -3.355392 14.515220 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=314) -1 -26.171383 -7.814316 -10.429301 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=314) -1 -26.667570 -7.746296 -9.587538 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=314) -1 -25.911885 -8.758113 -10.407314 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=315) -1 -19.378167 14.448273 -2.555456 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=315) -1 -19.605793 13.557222 -2.925992 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=315) -1 -18.995705 14.850286 -3.373270 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=316) -1 19.650502 -18.735883 -1.625677 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=316) -1 19.883797 -17.907095 -1.142579 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=316) -1 20.322877 -19.340601 -1.283075 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=317) -1 -21.903948 -16.793239 5.477911 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=317) -1 -21.197888 -16.174762 5.208075 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=317) -1 -22.213489 -16.390120 6.300590 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=318) -1 -13.613518 5.188625 11.434116 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=318) -1 -13.317785 6.008101 10.963910 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=318) -1 -14.255384 4.846570 10.753744 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=319) -1 29.198948 13.045265 -4.780456 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=319) -1 30.045563 13.072930 -5.294573 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=319) -1 28.594827 12.745431 -5.500799 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=320) -1 -18.385681 26.265395 3.093023 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=320) -1 -18.278115 25.305245 2.943443 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=320) -1 -17.481403 26.511691 3.376977 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=321) -1 -20.293065 29.146222 -3.438762 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=321) -1 -20.068998 29.398723 -4.364311 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=321) -1 -20.520022 30.007691 -3.063849 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=322) -1 23.748094 6.406032 -13.249874 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=322) -1 24.335281 5.643788 -12.971956 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=322) -1 22.882253 6.005072 -13.000381 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=323) -1 25.113127 -13.946894 -14.173420 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=323) -1 24.176365 -14.043211 -13.865763 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=323) -1 25.326935 -14.871472 -14.366788 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=324) -1 15.853268 9.420138 -13.429156 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=324) -1 15.955792 9.825719 -12.548464 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=324) -1 15.104174 8.796492 -13.248337 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=325) -1 -27.887670 -14.974210 -1.090753 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=325) -1 -27.669132 -14.074404 -0.740444 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=325) -1 -28.875905 -14.891571 -1.107476 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=326) -1 12.315029 14.485955 -6.185030 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=326) -1 11.361116 14.513689 -5.914645 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=326) -1 12.262450 13.688690 -6.781674 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=327) -1 -25.861681 2.151009 -3.844571 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=327) -1 -26.395267 1.435913 -3.429575 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=327) -1 -26.409374 2.328726 -4.639188 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=328) -1 14.748868 15.960271 -5.649269 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=328) -1 15.209868 15.632412 -4.846671 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=328) -1 14.074487 15.266273 -5.770671 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=329) -1 2.995767 -2.823862 -4.226623 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=329) -1 3.816402 -2.896647 -4.785842 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=329) -1 3.078204 -1.867047 -3.984985 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=330) -1 11.800664 16.990794 -7.266773 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=330) -1 12.177562 16.187199 -6.854946 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=330) -1 12.281384 17.684635 -6.764934 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=331) -1 -6.639210 11.405946 16.658881 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=331) -1 -7.003132 10.674841 16.104420 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=331) -1 -5.886204 10.962681 17.070667 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=332) -1 -1.540289 -16.148613 -4.290264 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=332) -1 -2.480609 -16.422016 -4.340325 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=332) -1 -1.183648 -16.650326 -5.062254 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=333) -1 0.690028 -10.656385 14.155990 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=333) -1 0.771976 -11.634686 14.158327 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=333) -1 1.604695 -10.391388 13.989934 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=334) -1 -24.122291 7.654991 5.404564 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=334) -1 -24.201971 6.895854 6.005905 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=334) -1 -23.226519 7.459570 5.012999 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=335) -1 3.165780 6.192268 -2.165862 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=335) -1 4.051486 6.611174 -2.309048 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=335) -1 3.458467 5.261770 -2.031559 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=336) -1 31.782372 10.836097 2.721276 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=336) -1 30.984718 11.220208 3.103683 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=336) -1 31.672711 11.054959 1.773081 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=337) -1 -15.313683 32.348810 -1.934268 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=337) -1 -15.174147 33.179926 -1.459146 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=337) -1 -15.481722 31.736777 -1.174398 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=338) -1 7.509984 11.685788 -7.580036 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=338) -1 8.406183 12.080606 -7.478820 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=338) -1 7.265388 12.068051 -8.450717 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=339) -1 9.095492 -0.956830 -13.643757 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=339) -1 9.440849 -0.762203 -12.739902 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=339) -1 8.484592 -1.700436 -13.416546 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=340) -1 14.104711 18.373712 -2.817509 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=340) -1 14.989921 18.068094 -2.528489 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=340) -1 13.543156 17.683799 -2.384400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=341) -1 9.683897 14.352655 -5.655125 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=341) -1 9.683253 13.788659 -6.469390 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=341) -1 8.713030 14.494036 -5.564047 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=342) -1 -24.429912 14.195486 2.773885 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=342) -1 -24.721474 13.422347 3.314170 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=342) -1 -23.877538 13.709589 2.104920 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=343) -1 -2.479182 -5.153100 19.169370 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=343) -1 -3.238895 -5.512066 19.669841 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=343) -1 -2.476285 -4.229719 19.499908 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=344) -1 -8.816349 20.947089 4.844053 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=344) -1 -9.484794 20.281585 4.543544 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=344) -1 -9.077970 21.007601 5.792989 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=345) -1 -12.438643 -26.405251 -3.378287 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=345) -1 -13.236637 -25.822324 -3.350673 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=345) -1 -12.783414 -27.155683 -2.837606 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=346) -1 -10.861507 -16.345739 17.317872 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=346) -1 -10.579031 -16.396692 16.361137 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=346) -1 -11.578232 -17.024769 17.281239 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=347) -1 27.414055 7.675619 -8.267679 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=347) -1 27.560685 8.630805 -8.109787 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=347) -1 27.417808 7.658170 -9.246507 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=348) -1 -15.747572 -21.496568 2.853039 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=348) -1 -15.281834 -21.410539 3.712627 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=348) -1 -16.651032 -21.224969 3.117895 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=349) -1 15.815767 1.443362 -20.504660 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=349) -1 15.627786 2.195864 -21.097328 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=349) -1 14.925578 1.233323 -20.168880 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=350) -1 20.094001 1.976044 14.289651 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=350) -1 20.598185 2.817162 14.390542 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=350) -1 20.603740 1.405169 14.908578 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=351) -1 25.146973 -14.782662 -9.555561 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=351) -1 24.437617 -15.197117 -10.099544 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=351) -1 25.027761 -13.846402 -9.803459 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=352) -1 -12.239695 3.309885 20.792352 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=352) -1 -11.428075 2.753521 20.747405 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=352) -1 -11.912285 4.070998 21.292225 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=353) -1 3.829041 -13.598025 -3.266170 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=353) -1 4.647154 -13.255311 -2.836666 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=353) -1 3.181912 -13.417159 -2.547826 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=354) -1 -11.913695 3.729632 -15.808185 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=354) -1 -12.302294 3.629989 -16.689449 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=354) -1 -11.727254 2.787613 -15.583608 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=355) -1 -20.953565 -6.857768 13.050597 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=355) -1 -19.974902 -6.764605 13.139430 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=355) -1 -21.101838 -6.157921 12.353553 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=356) -1 -26.345697 -28.779305 -5.205975 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=356) -1 -26.540036 -28.543134 -4.279086 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=356) -1 -25.521129 -28.272569 -5.347747 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=357) -1 -11.832642 -25.597635 0.207500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=357) -1 -12.791510 -25.629639 -0.014177 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=357) -1 -11.770391 -26.306887 0.862242 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=358) -1 -9.293381 -6.834725 20.139271 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=358) -1 -8.550781 -7.413037 20.410800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=358) -1 -9.169934 -6.092311 20.775291 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=359) -1 -8.202172 16.320671 -0.855962 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=359) -1 -8.347776 15.735181 -0.076270 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=359) -1 -8.791009 15.858724 -1.501683 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=360) -1 -13.052808 29.497693 -6.774868 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=360) -1 -12.809506 28.721319 -7.341281 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=360) -1 -12.345143 29.378460 -6.082512 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=361) -1 -4.351076 -16.519637 -4.794772 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=361) -1 -4.346530 -15.725995 -4.208553 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=361) -1 -5.151531 -16.972683 -4.427491 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=362) -1 12.606876 15.428187 7.511490 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=362) -1 12.520383 16.346239 7.172082 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=362) -1 13.523502 15.228329 7.239356 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=363) -1 8.665069 -2.627998 -16.811202 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=363) -1 8.775373 -3.274368 -16.063584 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=363) -1 8.327950 -3.223932 -17.497081 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=364) -1 -21.821043 -1.754737 -14.078997 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=364) -1 -22.247263 -0.928744 -13.737317 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=364) -1 -22.578377 -2.379210 -13.946544 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=365) -1 33.383876 -4.566859 6.163088 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=365) -1 32.452642 -4.243568 6.150071 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=365) -1 33.601140 -4.425794 5.206620 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=366) -1 -24.373392 5.906461 -4.704772 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=366) -1 -25.166671 5.577829 -5.178990 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=366) -1 -24.256597 5.183385 -4.047159 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=367) -1 7.283565 15.421246 -7.939434 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=367) -1 8.137749 15.844820 -8.175204 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=367) -1 7.233335 14.746644 -8.651702 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=368) -1 -13.822358 -27.894260 -1.518158 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=368) -1 -14.569592 -28.484799 -1.373842 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=368) -1 -14.120139 -27.082016 -1.054476 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=369) -1 -3.148668 -5.746324 -13.428868 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=369) -1 -3.194696 -6.607152 -13.864456 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=369) -1 -4.085586 -5.455641 -13.478377 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=370) -1 -0.792154 6.510465 -7.330628 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=370) -1 -0.236516 6.498767 -8.127797 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=370) -1 -0.086509 6.396235 -6.637221 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=371) -1 -22.604033 -4.467164 -15.864113 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=371) -1 -21.966768 -4.928080 -15.273612 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=371) -1 -23.225093 -4.112677 -15.189397 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=372) -1 31.330520 -3.338963 17.154719 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=372) -1 31.615913 -2.839583 16.361882 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=372) -1 30.426729 -2.980787 17.267934 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=374) -1 5.750564 -12.950080 11.877367 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=374) -1 4.928121 -13.163976 12.369855 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=374) -1 5.608213 -11.989527 11.725401 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=375) -1 9.552959 13.639383 2.270968 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=375) -1 10.271468 14.222070 2.628473 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=375) -1 8.789568 14.228172 2.376486 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=376) -1 16.268069 13.009485 14.260051 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=376) -1 15.566076 12.925705 13.561233 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=376) -1 16.724828 12.150003 14.111902 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=377) -1 -29.327107 -16.155649 -12.760005 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=377) -1 -28.741583 -16.148630 -11.971071 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=377) -1 -28.741987 -15.698601 -13.405869 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=378) -1 -8.249508 -18.648609 -5.643042 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=378) -1 -8.916332 -18.006331 -5.968400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=378) -1 -8.477957 -19.427480 -6.201226 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=379) -1 -19.986765 12.245365 -4.019000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=379) -1 -20.356768 11.344600 -4.175608 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=379) -1 -19.149583 12.165101 -4.535473 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=380) -1 3.388412 3.799293 -6.510366 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=380) -1 3.698066 2.934725 -6.188928 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=380) -1 2.493709 3.830982 -6.082035 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=381) -1 -14.347165 18.313879 9.394559 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=381) -1 -14.651668 19.079185 8.858664 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=381) -1 -15.214268 18.056903 9.807456 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=382) -1 34.391126 -2.995974 -1.865682 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=382) -1 34.136770 -3.943639 -1.792979 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=382) -1 34.059555 -2.780090 -2.745719 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=383) -1 -12.275246 -5.951615 -13.228564 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=383) -1 -12.491909 -6.594358 -13.941809 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=383) -1 -13.184910 -5.730697 -12.930418 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=384) -1 -7.375763 -8.709235 20.886895 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=384) -1 -7.366833 -8.842312 21.849979 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=384) -1 -6.440119 -8.382795 20.764708 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=385) -1 11.831782 18.558806 14.724848 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=385) -1 11.712340 17.627649 14.396604 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=385) -1 12.656322 18.788372 14.273998 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=386) -1 35.515256 0.645595 1.270257 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=386) -1 34.893799 1.090361 0.648391 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=386) -1 35.742354 -0.146922 0.722166 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=387) -1 -18.689927 16.879598 8.895687 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=387) -1 -18.609388 16.630864 7.953763 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=387) -1 -19.662202 17.038119 8.948500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=388) -1 -21.735295 23.673329 9.629631 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=388) -1 -22.355979 22.919224 9.786436 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=388) -1 -21.879382 24.192277 10.430855 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=389) -1 13.167556 10.170607 15.548141 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=389) -1 13.755437 10.064380 14.760656 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=389) -1 13.571423 10.990008 15.929039 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=390) -1 -19.183062 -5.014912 -11.793021 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=390) -1 -19.764031 -5.065418 -10.998150 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=390) -1 -19.269247 -4.052051 -11.990665 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=391) -1 1.041254 10.895776 0.540727 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=391) -1 1.953998 10.541006 0.354409 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=391) -1 0.791935 10.266261 1.261924 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=392) -1 -4.656247 6.762048 17.792305 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=392) -1 -3.895438 7.331356 17.989229 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=392) -1 -4.181039 6.011941 17.331889 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=393) -1 -12.217431 0.340516 19.190109 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=393) -1 -12.478465 1.081458 18.602563 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=393) -1 -12.553708 -0.418942 18.646921 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=394) -1 -10.561380 28.778185 -13.881434 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=394) -1 -10.061869 29.603961 -13.906234 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=394) -1 -11.446698 29.100069 -13.597313 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=395) -1 -31.552347 -22.516022 -4.746032 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=395) -1 -31.116260 -22.382719 -3.874274 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=395) -1 -31.217007 -23.420190 -4.955264 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=396) -1 20.457577 -2.708041 -16.632067 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=396) -1 19.782864 -3.409963 -16.809469 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=396) -1 20.225232 -2.491245 -15.704866 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=397) -1 -2.423645 -8.134154 16.779679 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=397) -1 -3.404103 -8.008747 16.826800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=397) -1 -2.377455 -8.944069 16.231939 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=398) -1 8.292092 6.583019 7.831751 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=398) -1 7.782030 6.263673 8.624716 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=398) -1 8.323348 7.531674 8.027849 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=399) -1 -3.644086 -14.201452 -12.670620 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=399) -1 -4.394824 -13.844854 -13.207479 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=399) -1 -3.583451 -15.101806 -13.053498 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=400) -1 -24.114064 1.027013 1.825608 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=400) -1 -24.188705 0.131461 1.423371 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=400) -1 -23.902443 0.764246 2.757103 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=401) -1 -14.409319 -15.968472 15.546748 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=401) -1 -15.374057 -16.065363 15.540410 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=401) -1 -14.283202 -15.570034 16.448824 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=402) -1 26.471574 5.648339 -3.952237 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=402) -1 27.121574 5.811200 -4.689144 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=402) -1 25.676811 5.470102 -4.514390 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=403) -1 -4.445751 -1.512461 22.571503 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=403) -1 -3.993907 -1.303919 23.404252 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=403) -1 -5.038360 -0.712663 22.501034 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=404) -1 -30.548818 -15.000457 -1.441484 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=404) -1 -30.748386 -14.615610 -2.322613 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=404) -1 -31.074300 -15.824238 -1.485184 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=405) -1 -0.038179 -15.372441 2.135158 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=405) -1 -0.283302 -15.519522 3.076281 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=405) -1 -0.856310 -14.922839 1.817512 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=406) -1 -23.210224 20.341706 4.283384 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=406) -1 -23.266946 19.580026 4.900326 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=406) -1 -22.995762 19.870181 3.447057 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=407) -1 -14.632618 -17.663391 9.576372 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=407) -1 -15.335705 -17.287429 9.000491 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=407) -1 -14.535687 -16.902247 10.210865 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=408) -1 12.763767 5.831120 -18.865745 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=408) -1 13.148056 5.564673 -18.000672 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=408) -1 12.632349 4.944728 -19.267112 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=409) -1 6.773343 -5.642869 1.152390 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=409) -1 7.371997 -6.292945 0.694394 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=409) -1 6.426061 -5.194956 0.334198 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=410) -1 16.759973 20.181947 3.257773 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=410) -1 16.183058 20.281487 2.454622 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=410) -1 17.128991 19.280910 3.038727 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=411) -1 10.884306 -1.499023 -15.653888 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=411) -1 10.299304 -1.238371 -14.900141 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=411) -1 10.201712 -1.904779 -16.239649 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=412) -1 8.474029 -7.095329 -7.195795 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=412) -1 9.432870 -6.861421 -7.238071 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=412) -1 8.319539 -6.964091 -6.231734 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=413) -1 -26.697775 1.850843 2.151892 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=413) -1 -26.824966 1.211539 2.897024 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=413) -1 -25.754033 1.648919 1.943553 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=414) -1 10.067854 5.012272 11.452230 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=414) -1 10.422066 5.350023 10.603936 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=414) -1 10.616159 5.514581 12.089196 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=415) -1 22.424230 15.927600 -4.351133 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=415) -1 21.568480 16.367631 -4.554549 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=415) -1 22.249555 15.631706 -3.434156 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=416) -1 -22.180163 -25.599893 -3.446703 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=416) -1 -22.529059 -24.795599 -3.908035 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=416) -1 -21.271597 -25.610199 -3.799076 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=417) -1 20.958447 -17.770452 -13.946257 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=417) -1 20.036200 -17.879796 -14.266158 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=417) -1 21.095928 -16.829923 -14.252789 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=418) -1 24.174329 19.904766 -10.954033 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=418) -1 24.188833 18.962632 -10.661809 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=418) -1 23.503488 20.266069 -10.362699 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=419) -1 -21.310598 -7.680665 -11.025651 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=419) -1 -20.365626 -7.836011 -11.256533 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=419) -1 -21.204156 -6.941290 -10.390013 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=420) -1 13.808636 15.221040 4.442666 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=420) -1 14.393402 14.833921 5.120489 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=420) -1 14.258052 16.087813 4.300459 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=421) -1 5.858090 -12.471182 -1.770712 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=421) -1 6.788393 -12.546225 -1.473364 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=421) -1 5.634529 -11.576060 -1.468517 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=422) -1 -15.396621 5.213810 -11.462001 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=422) -1 -14.933134 6.061698 -11.638855 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=422) -1 -15.358491 4.816883 -12.362613 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=423) -1 -3.607119 -17.644446 -7.114436 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=423) -1 -3.884834 -17.129743 -6.311785 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=423) -1 -4.292402 -18.334548 -7.110499 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=424) -1 -9.671531 28.951422 -2.944231 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=424) -1 -8.880496 28.504364 -2.559334 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=424) -1 -10.245836 28.994229 -2.157311 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=425) -1 -7.794345 23.529518 -10.912582 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=425) -1 -7.168049 22.854500 -10.551377 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=425) -1 -7.814048 24.143852 -10.140004 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=426) -1 31.332403 11.360961 0.039597 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=426) -1 31.116364 11.522413 -0.906942 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=426) -1 31.901856 10.558643 -0.061748 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=427) -1 -8.098669 -16.850937 -13.037716 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=427) -1 -7.221279 -16.753957 -12.605020 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=427) -1 -8.551346 -16.054447 -12.694125 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=428) -1 23.884972 0.658668 -9.491343 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=428) -1 24.242113 1.180347 -8.736752 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=428) -1 24.052261 1.313739 -10.216334 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=429) -1 -17.863564 -2.642147 17.057745 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=429) -1 -18.366628 -2.291077 16.306100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=429) -1 -18.314100 -3.516552 17.171701 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=430) -1 -24.958578 -3.634511 -0.955056 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=430) -1 -24.691095 -4.358574 -0.349540 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=430) -1 -24.337631 -3.812004 -1.707471 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=431) -1 13.263097 -18.186062 1.188723 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=431) -1 13.176780 -17.272990 1.564350 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=431) -1 14.226389 -18.157283 0.962044 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=432) -1 -21.344323 17.436544 8.772728 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=432) -1 -21.780495 18.308165 8.861613 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=432) -1 -22.125055 16.866229 8.617223 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=433) -1 18.361378 2.123104 -20.110855 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=433) -1 18.127003 3.038505 -19.847705 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=433) -1 17.452597 1.763077 -20.270720 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=434) -1 -20.747479 6.067491 -5.827511 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=434) -1 -21.563860 5.913425 -6.374509 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=434) -1 -20.506156 5.105421 -5.689745 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=435) -1 -7.993531 25.526907 -12.774350 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=435) -1 -7.926445 24.719109 -12.211072 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=435) -1 -7.116930 25.526507 -13.188795 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=436) -1 9.025798 -8.245003 -9.587602 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=436) -1 8.712010 -8.034579 -8.676635 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=436) -1 9.836783 -8.754241 -9.364232 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=437) -1 -5.304138 -1.433601 -11.033241 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=437) -1 -5.648900 -1.039587 -11.865972 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=437) -1 -4.982898 -0.611321 -10.591613 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=438) -1 20.073398 10.126657 12.777918 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=438) -1 20.433689 11.048015 12.764664 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=438) -1 20.720798 9.713483 12.148849 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=439) -1 23.826443 17.472865 -9.797442 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=439) -1 23.244698 17.545162 -9.005807 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=439) -1 23.913418 16.501432 -9.854646 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=440) -1 -17.581317 12.863100 -9.046163 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=440) -1 -18.408473 13.363291 -8.874804 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=440) -1 -17.857480 11.971706 -8.739239 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=441) -1 10.583655 15.203498 -3.102057 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=441) -1 10.225796 14.331908 -2.834151 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=441) -1 10.269142 15.238898 -4.028992 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=442) -1 6.365751 -6.324432 -8.735962 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=442) -1 7.098961 -6.672313 -8.172353 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=442) -1 6.238983 -5.449063 -8.287545 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=443) -1 -11.747666 -9.680647 -15.794647 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=443) -1 -11.109337 -10.059216 -15.147479 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=443) -1 -11.765915 -10.377989 -16.463070 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=444) -1 12.862636 -19.748094 -2.763879 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=444) -1 12.260269 -19.368021 -2.089359 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=444) -1 13.557516 -20.123938 -2.175505 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=445) -1 15.497921 -12.323265 10.683263 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=445) -1 16.422316 -12.014922 10.871890 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=445) -1 15.693956 -13.290111 10.593090 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=446) -1 -21.487545 -9.223999 9.498208 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=446) -1 -22.196182 -8.560989 9.684616 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=446) -1 -21.075423 -8.783997 8.714309 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=447) -1 -15.523324 14.469120 -6.150281 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=447) -1 -15.343918 13.549739 -5.846400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=447) -1 -15.410545 14.343001 -7.119933 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=448) -1 29.091864 8.359967 13.954317 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=448) -1 29.980809 8.130515 14.345221 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=448) -1 28.690587 7.459689 13.985649 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=449) -1 9.241924 -6.128322 3.949424 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=449) -1 9.207646 -5.255824 3.494933 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=449) -1 9.929628 -5.937306 4.623555 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=450) -1 -10.153750 15.242359 -2.376048 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=450) -1 -10.524833 14.620509 -3.056989 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=450) -1 -10.732674 14.962673 -1.616989 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=451) -1 -18.790186 26.205194 -4.957006 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=451) -1 -18.870513 26.782578 -5.760982 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=451) -1 -18.949608 25.330485 -5.415582 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=452) -1 -15.205426 11.893154 -5.345266 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=452) -1 -14.739379 12.004046 -4.469995 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=452) -1 -14.755969 11.063985 -5.632600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=453) -1 22.520084 -6.720119 -13.098167 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=453) -1 23.336190 -6.890050 -12.552762 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=453) -1 22.501269 -5.732872 -13.013100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=454) -1 -11.285826 5.013715 -8.794923 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=454) -1 -10.551076 4.493208 -9.177559 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=454) -1 -12.055750 4.479561 -9.093626 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=455) -1 24.568064 -3.989116 -16.910085 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=455) -1 23.915999 -3.661340 -17.583167 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=455) -1 24.513788 -3.219038 -16.284824 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=456) -1 -8.291776 20.631047 0.329010 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=456) -1 -8.068770 20.913244 1.242937 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=456) -1 -9.273430 20.557006 0.414195 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=457) -1 -6.948866 5.073130 -9.519965 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=457) -1 -7.828299 4.821087 -9.907794 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=457) -1 -6.377735 4.504371 -10.103429 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=458) -1 -20.995769 13.989914 -5.792622 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=458) -1 -20.269962 14.635327 -5.595587 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=458) -1 -20.766877 13.318021 -5.095655 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=459) -1 -19.091932 28.066572 1.279418 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=459) -1 -19.931886 27.730764 0.897718 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=459) -1 -18.974259 27.404625 2.008938 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=460) -1 -13.315418 -1.477065 17.588961 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=460) -1 -14.286079 -1.344451 17.533461 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=460) -1 -13.226824 -2.393349 17.291896 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=461) -1 -26.710622 -0.063019 -10.293003 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=461) -1 -26.929413 -1.011243 -10.103624 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=461) -1 -27.176233 0.049823 -11.139508 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=462) -1 11.627209 17.783329 4.124857 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=462) -1 12.198081 18.443457 3.668726 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=462) -1 11.966854 17.871904 5.040311 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=463) -1 -22.852063 22.800974 -7.339391 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=463) -1 -23.783414 22.491135 -7.476390 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=463) -1 -22.783577 23.424447 -8.098458 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=464) -1 8.508255 -12.893622 -0.879216 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=464) -1 9.215530 -12.427372 -0.385198 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=464) -1 9.070858 -13.345391 -1.563904 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=465) -1 -5.732373 -4.880275 -13.219405 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=465) -1 -6.186732 -4.109349 -13.635477 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=465) -1 -5.530217 -4.491188 -12.336717 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=466) -1 -11.795876 21.366379 -12.193955 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=466) -1 -11.324638 20.705013 -11.626597 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=466) -1 -12.282997 20.736458 -12.778679 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=467) -1 27.251525 8.018907 -11.085104 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=467) -1 27.298652 7.943649 -12.073085 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=467) -1 26.601245 8.765218 -11.028628 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=468) -1 8.717733 -2.870610 -10.001644 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=468) -1 8.778552 -3.824728 -9.768416 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=468) -1 7.912583 -2.625462 -9.486417 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=469) -1 11.489938 -15.393652 8.312675 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=469) -1 12.264595 -14.795672 8.357365 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=469) -1 11.863041 -16.118230 7.763532 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=470) -1 21.758142 12.825859 -14.726644 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=470) -1 22.434670 12.298788 -14.230993 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=470) -1 22.209371 13.676494 -14.791744 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=471) -1 -14.444842 26.412218 -9.598688 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=471) -1 -15.316456 26.720557 -9.249230 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=471) -1 -14.174820 27.199832 -10.104733 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=472) -1 3.426344 6.980309 6.131250 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=472) -1 4.392770 6.887697 6.317554 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=472) -1 3.252039 6.047216 5.840690 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=473) -1 -16.905134 20.337288 -0.875739 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=473) -1 -15.930783 20.212080 -1.017627 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=473) -1 -17.228003 19.782819 -1.621570 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=474) -1 -9.273248 -1.366377 -14.732487 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=474) -1 -8.688301 -2.129954 -14.602861 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=474) -1 -10.143625 -1.733382 -14.503049 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=475) -1 -24.450925 -16.822359 -15.437291 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=475) -1 -24.615446 -15.912683 -15.096253 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=475) -1 -23.518887 -16.760405 -15.683462 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=476) -1 -12.281679 -23.005048 0.990803 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=476) -1 -11.858964 -22.368085 0.367243 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=476) -1 -11.939129 -23.849999 0.630083 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=477) -1 2.961956 3.168696 -11.754340 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=477) -1 3.164304 3.433007 -10.817165 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=477) -1 3.807076 3.458005 -12.171449 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=478) -1 11.096788 -6.762277 -7.805254 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=478) -1 11.373936 -7.637950 -8.138910 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=478) -1 11.612929 -6.167025 -8.380339 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=479) -1 11.448393 -18.319266 -0.869835 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=479) -1 12.133381 -18.362381 -0.160788 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=479) -1 10.716868 -17.903381 -0.351937 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=480) -1 0.709996 -15.265156 -7.152835 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=480) -1 0.158183 -16.004349 -6.829367 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=480) -1 1.100670 -14.952215 -6.306612 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=481) -1 5.585985 7.326553 -2.374508 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=481) -1 5.652190 7.929741 -1.597346 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=481) -1 6.504508 6.964856 -2.372544 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=482) -1 25.206005 8.017399 -14.886198 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=482) -1 24.634356 7.368096 -14.418543 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=482) -1 24.558269 8.683276 -15.150214 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=483) -1 -18.815289 24.369486 -17.955651 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=483) -1 -19.547532 24.136487 -18.536490 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=483) -1 -19.232865 24.312280 -17.071829 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=484) -1 -27.549959 -7.622361 -7.999179 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=484) -1 -27.921189 -6.776746 -8.369827 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=484) -1 -27.525418 -7.359132 -7.047784 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=485) -1 -28.983763 22.433219 -1.253527 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=485) -1 -29.285744 22.508180 -0.327767 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=485) -1 -29.525846 21.677048 -1.564982 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=486) -1 -16.278423 24.262862 -17.008422 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=486) -1 -17.101083 24.303292 -17.557414 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=486) -1 -16.306155 25.188404 -16.642731 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=487) -1 -20.021862 -9.212755 11.758014 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=487) -1 -20.546227 -8.513554 12.201266 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=487) -1 -20.556698 -9.321948 10.933612 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=488) -1 -7.952130 26.504377 0.806887 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=488) -1 -8.125261 25.545391 0.966916 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=488) -1 -7.388654 26.713664 1.565893 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=489) -1 3.656574 -5.494756 -8.369902 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=489) -1 4.295497 -4.801961 -8.078897 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=489) -1 4.287043 -6.131619 -8.768315 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=490) -1 27.260236 3.545100 -7.497388 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=490) -1 27.655120 3.492110 -8.397407 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=490) -1 26.405353 3.096290 -7.657062 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=491) -1 -13.748013 18.086667 4.583545 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=491) -1 -13.153219 17.317778 4.783314 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=491) -1 -13.326001 18.746800 5.197040 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=492) -1 -11.330310 -24.681045 -5.353147 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=492) -1 -10.794186 -24.212418 -4.682406 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=492) -1 -11.687539 -25.416648 -4.816555 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=493) -1 0.700173 -13.408522 13.968223 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=493) -1 0.295319 -14.079742 14.565963 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=493) -1 -0.047486 -13.309620 13.328020 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=494) -1 10.955372 -12.646793 6.631337 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=494) -1 11.693822 -13.077805 7.118300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=494) -1 11.326017 -11.740543 6.547939 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=495) -1 12.702954 16.330889 -1.703319 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=495) -1 12.600870 15.840476 -0.864989 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=495) -1 11.927221 15.988018 -2.203482 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=496) -1 -18.222198 15.036330 -0.077765 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=496) -1 -17.326119 14.625882 -0.051116 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=496) -1 -18.425090 14.916008 -1.033938 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=497) -1 -16.171878 -7.873171 -12.500685 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=497) -1 -15.428011 -8.502681 -12.611176 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=497) -1 -15.685850 -7.020602 -12.575322 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=498) -1 27.357294 9.898172 -5.070775 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=498) -1 27.060352 10.035459 -4.148367 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=498) -1 26.756116 9.163482 -5.337085 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=499) -1 5.499232 -15.193552 7.189547 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=499) -1 5.899886 -14.831893 8.016291 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=499) -1 6.316945 -15.576008 6.783570 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=500) -1 11.770365 16.098357 13.706065 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=500) -1 11.261303 15.732424 12.938722 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=500) -1 12.203906 15.263932 14.004960 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=501) -1 -25.843979 20.655650 3.193972 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=501) -1 -25.697886 19.685677 3.028388 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=501) -1 -25.048793 20.830429 3.745571 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=502) -1 27.762755 12.180988 -1.203064 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=502) -1 28.134657 12.643680 -0.420006 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=502) -1 27.493728 12.963290 -1.745870 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=503) -1 4.553670 -0.808251 -7.204259 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=503) -1 4.827583 -0.049315 -6.663451 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=503) -1 4.790013 -1.555993 -6.597657 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=504) -1 -24.663908 16.220849 4.526562 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=504) -1 -24.504943 15.519033 3.838481 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=504) -1 -24.970662 15.621105 5.257186 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=505) -1 25.881441 15.113905 12.973208 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=505) -1 26.104875 14.873253 12.045869 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=505) -1 26.361105 14.392762 13.445038 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=506) -1 -22.203323 9.909697 7.827510 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=506) -1 -21.867684 9.452162 8.639316 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=506) -1 -21.525428 9.587501 7.182878 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=507) -1 14.123046 -18.850171 -9.717401 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=507) -1 15.081814 -18.716217 -9.539797 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=507) -1 13.936091 -18.036638 -10.230594 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=508) -1 -27.626009 0.376417 -7.580292 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=508) -1 -27.560518 -0.600495 -7.392109 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=508) -1 -27.360733 0.371268 -8.521024 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=509) -1 12.842545 -10.535835 6.660126 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=509) -1 13.130470 -10.576140 7.601503 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=509) -1 13.677643 -10.789806 6.216551 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=511) -1 21.785191 11.793200 4.109928 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=511) -1 20.874691 12.039975 4.378167 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=511) -1 22.121541 11.437629 4.965767 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=512) -1 30.993030 4.788725 14.949395 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=512) -1 31.764335 4.423735 14.459079 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=512) -1 30.710753 3.956372 15.421661 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=513) -1 -29.810943 -2.150590 -5.725112 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=513) -1 -29.059889 -2.283390 -6.345563 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=513) -1 -29.715166 -2.973375 -5.183384 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=514) -1 -16.979624 29.593377 2.299124 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=514) -1 -17.856591 29.238927 2.050239 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=514) -1 -16.665259 28.894731 2.904601 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=515) -1 28.874683 -8.561735 -13.039084 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=515) -1 28.635611 -9.378604 -13.511765 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=515) -1 28.034485 -8.066088 -13.097133 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=516) -1 13.960008 10.295513 -15.277309 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=516) -1 14.763111 10.102432 -14.753236 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=516) -1 13.558438 11.006906 -14.744661 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=517) -1 0.609802 11.911198 -1.941644 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=517) -1 -0.076202 11.235051 -2.154243 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=517) -1 0.893396 11.573464 -1.059959 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=518) -1 -6.260484 -7.446711 -12.651092 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=518) -1 -5.732952 -7.376654 -11.825701 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=518) -1 -6.141383 -6.533715 -13.000528 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=519) -1 -3.676257 -19.755831 10.413727 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=519) -1 -3.605787 -18.811224 10.163174 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=519) -1 -4.537020 -19.981984 10.003416 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=520) -1 33.586620 -5.606754 -1.824904 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=520) -1 33.355640 -5.801037 -2.773995 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=520) -1 33.081005 -6.345911 -1.406562 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=521) -1 -21.156140 -21.871042 -0.875763 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=521) -1 -21.717162 -22.659821 -1.074582 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=521) -1 -20.477705 -21.980619 -1.584733 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=522) -1 32.446357 -7.780668 -0.641221 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=522) -1 32.872584 -7.651367 0.241622 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=522) -1 32.780616 -8.659103 -0.874100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=523) -1 -21.408914 9.021754 -9.310563 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=523) -1 -22.016951 8.266178 -9.500896 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=523) -1 -20.958701 8.670266 -8.511457 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=524) -1 -2.657499 11.202064 -0.414636 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=524) -1 -2.057019 11.928636 -0.144621 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=524) -1 -2.117922 10.785690 -1.124454 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=525) -1 -14.023651 15.689027 0.617536 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=525) -1 -14.760843 15.126520 0.301897 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=525) -1 -14.504943 16.236846 1.282810 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=526) -1 -13.384144 8.468387 1.586446 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=526) -1 -13.798655 9.319973 1.324006 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=526) -1 -13.223073 8.066610 0.713795 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=527) -1 -24.279708 2.397307 8.699626 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=527) -1 -24.919152 1.846549 8.181838 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=527) -1 -23.810532 2.836190 7.956696 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=528) -1 -8.757332 0.061502 22.027626 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=528) -1 -8.445480 -0.560585 21.333496 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=528) -1 -9.247855 0.706027 21.468350 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=529) -1 10.630112 -12.932371 -5.776864 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=529) -1 10.968013 -13.660445 -6.354680 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=529) -1 9.837338 -13.380079 -5.405317 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=530) -1 33.703824 6.709906 13.638417 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=530) -1 33.504871 5.747583 13.562849 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=530) -1 34.240381 6.850029 12.848905 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=531) -1 -9.460082 6.370954 16.673471 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=531) -1 -9.674589 5.569209 16.154975 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=531) -1 -8.543292 6.544284 16.375353 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=532) -1 30.450004 3.225292 7.403790 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=532) -1 30.412690 3.022152 6.439683 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=532) -1 29.894534 4.034112 7.423246 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=533) -1 16.951377 -17.898512 -4.345202 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=533) -1 17.906544 -17.813559 -4.562086 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=533) -1 16.559546 -17.759748 -5.233949 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=534) -1 -8.630635 16.210819 15.891465 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=534) -1 -8.321286 15.271675 15.962650 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=534) -1 -7.857046 16.673803 16.245806 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=535) -1 -18.547486 14.992154 -5.136014 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=535) -1 -18.132594 14.122578 -5.352684 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=535) -1 -17.948769 15.584084 -5.644309 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=536) -1 -9.059644 25.041841 -2.288641 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=536) -1 -8.704075 24.166227 -2.002479 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=536) -1 -9.033238 24.914249 -3.265243 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=537) -1 -17.773207 21.103112 1.559038 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=537) -1 -17.032697 20.611461 2.009806 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=537) -1 -17.534812 20.848230 0.623273 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=538) -1 20.954812 19.816016 -6.909956 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=538) -1 20.632144 19.904059 -5.993336 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=538) -1 20.120580 19.544758 -7.358275 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=539) -1 9.956250 15.710658 -8.763216 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=539) -1 10.592471 16.306305 -8.293037 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=539) -1 10.152613 14.867560 -8.308744 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=540) -1 -26.598076 -22.495443 0.021485 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=540) -1 -25.719086 -22.614852 0.441527 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=540) -1 -26.616606 -23.292145 -0.555383 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=541) -1 5.223093 -12.351020 4.075242 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=541) -1 5.670905 -11.464189 4.039105 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=541) -1 6.049375 -12.911121 4.107951 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=542) -1 -22.911300 19.148284 1.840014 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=542) -1 -23.773369 18.715691 2.033413 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=542) -1 -22.404935 18.359352 1.525306 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=543) -1 0.505652 -5.457574 16.704727 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=543) -1 0.365551 -6.021089 17.492966 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=543) -1 1.433709 -5.167411 16.858050 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=544) -1 17.254693 -5.882590 14.857492 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=544) -1 17.326404 -6.728213 15.329989 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=544) -1 18.165036 -5.830557 14.466817 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=545) -1 15.974982 -16.444397 -11.538541 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=545) -1 16.294167 -16.931587 -10.748711 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=545) -1 15.063914 -16.227026 -11.248421 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=546) -1 16.275812 -17.184850 5.785828 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=546) -1 16.583451 -17.830408 5.136696 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=546) -1 15.498660 -16.801706 5.316082 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=547) -1 9.919082 -0.659870 -11.039081 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=547) -1 10.775636 -0.630674 -10.589663 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=547) -1 9.503467 -1.436227 -10.594462 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=548) -1 -16.404198 -17.022770 7.539046 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=548) -1 -16.109310 -16.328513 6.903783 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=548) -1 -17.380832 -16.930248 7.430115 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=549) -1 29.260112 7.887680 6.440304 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=549) -1 29.960473 8.260175 7.040650 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=549) -1 29.840250 7.640756 5.680634 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=550) -1 23.741726 9.139350 -3.770335 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=550) -1 23.241741 9.360686 -4.604017 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=550) -1 24.071126 10.060285 -3.580698 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=551) -1 23.525020 -13.740427 3.508658 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=551) -1 23.235736 -14.490775 4.071003 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=551) -1 22.931262 -13.878394 2.733171 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=552) -1 30.116230 7.831185 -12.608650 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=552) -1 29.992109 6.950392 -12.212064 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=552) -1 29.336505 7.875476 -13.200416 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=553) -1 33.013901 4.132899 13.150235 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=553) -1 33.503248 3.338915 12.816937 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=553) -1 32.384655 4.230346 12.384190 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=554) -1 -25.194617 14.281064 6.324760 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=554) -1 -25.278291 13.614071 5.594395 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=554) -1 -25.286746 13.640584 7.087309 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=555) -1 -19.024904 27.654655 -7.228871 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=555) -1 -19.769837 27.223826 -7.712859 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=555) -1 -19.466143 28.468293 -6.915427 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=556) -1 0.401720 2.065271 -11.557544 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=556) -1 1.179267 2.654200 -11.698564 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=556) -1 0.878634 1.238286 -11.305054 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=557) -1 -9.795365 20.964827 7.397158 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=557) -1 -10.620270 21.055235 7.928680 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=557) -1 -9.184622 20.625526 8.066791 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=558) -1 -16.388134 19.128581 -12.538085 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=558) -1 -15.658541 18.495443 -12.756431 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=558) -1 -17.072933 18.460167 -12.266336 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=559) -1 14.192931 -2.594931 14.087734 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=559) -1 14.262333 -2.457587 13.118778 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=559) -1 14.026752 -1.667272 14.375227 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=560) -1 -13.674309 32.164660 -7.130646 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=560) -1 -14.088457 32.313116 -6.256461 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=560) -1 -13.270932 31.282289 -6.980860 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=561) -1 -11.572752 -14.248452 18.823517 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=561) -1 -11.261980 -14.981958 18.238888 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=561) -1 -11.186801 -13.480888 18.341357 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=562) -1 24.918902 11.209091 14.280301 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=562) -1 24.242526 10.729331 14.775870 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=562) -1 24.384851 11.588674 13.546232 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=563) -1 -14.625061 31.807018 -12.204374 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=563) -1 -15.340112 31.205801 -12.550230 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=563) -1 -14.860831 32.625179 -12.667676 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=564) -1 17.331983 4.335475 11.948330 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=564) -1 18.177833 4.823778 12.040428 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=564) -1 17.680696 3.414188 11.922237 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=565) -1 -10.250629 26.142379 -14.247358 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=565) -1 -10.306827 27.128319 -14.157268 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=565) -1 -9.424519 25.988207 -13.733698 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=566) -1 -16.175925 0.772424 -14.888322 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=566) -1 -16.367117 0.938258 -15.844440 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=566) -1 -17.077653 0.990112 -14.527291 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=567) -1 -8.865115 1.246051 -14.442998 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=567) -1 -9.743885 1.476668 -14.814286 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=567) -1 -8.899198 0.262229 -14.578550 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=568) -1 14.956143 20.750244 -1.592746 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=568) -1 15.768578 20.770116 -2.151729 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=568) -1 14.447112 20.061885 -2.073107 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=569) -1 26.785879 -8.608001 -18.984970 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=569) -1 26.280690 -7.772589 -18.882240 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=569) -1 26.457996 -9.103366 -18.206063 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=570) -1 8.239536 -5.527585 -12.604317 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=570) -1 7.606176 -6.264663 -12.406103 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=570) -1 8.729427 -5.530783 -11.744733 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=571) -1 -22.251388 -5.023540 6.730813 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=571) -1 -22.758072 -5.851324 6.822740 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=571) -1 -21.793796 -5.024631 7.619689 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=572) -1 17.177612 -2.142028 -17.858455 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=572) -1 17.845161 -1.499097 -18.188701 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=572) -1 17.726850 -2.942572 -17.767957 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=573) -1 -27.967492 20.130698 1.428680 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=573) -1 -28.533150 20.919588 1.577795 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=573) -1 -27.347977 20.216956 2.182879 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=574) -1 16.710844 -14.770333 10.226677 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=574) -1 16.740140 -15.154558 9.322948 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=574) -1 17.667712 -14.638372 10.384779 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=575) -1 27.239045 13.973252 -3.115468 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=575) -1 26.506926 13.994812 -3.769442 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=575) -1 27.994447 13.790029 -3.720828 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=576) -1 -19.538843 24.115410 -15.322381 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=576) -1 -18.703906 23.589248 -15.242968 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=576) -1 -20.064885 23.684522 -14.620391 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=577) -1 -20.030356 26.637691 -2.602137 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=577) -1 -19.718490 26.336645 -3.496536 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=577) -1 -20.235976 27.583058 -2.851114 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=578) -1 -25.314081 -5.569678 -11.600242 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=578) -1 -24.462083 -5.912332 -11.945141 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=578) -1 -25.681785 -6.403831 -11.213716 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=579) -1 -23.820492 -3.499238 -13.576176 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=579) -1 -24.695977 -3.246300 -13.195735 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=579) -1 -23.655626 -4.323413 -13.068218 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=580) -1 -16.706537 11.071432 4.264431 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=580) -1 -16.029995 11.188327 4.973999 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=580) -1 -16.225705 11.510639 3.522357 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=581) -1 3.828168 -14.491474 5.242993 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=581) -1 4.449027 -14.800437 5.957477 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=581) -1 4.437542 -13.867295 4.783457 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=582) -1 -13.977158 30.990616 -9.667767 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=582) -1 -14.196655 31.495064 -10.479279 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=582) -1 -13.788710 31.719522 -9.042484 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=583) -1 18.566446 18.616233 -7.536897 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=583) -1 17.617795 18.339473 -7.553545 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=583) -1 18.986836 17.719840 -7.486590 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=584) -1 4.680440 -9.782536 -0.858668 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=584) -1 5.376196 -9.701261 -0.158650 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=584) -1 4.805831 -8.907291 -1.300515 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=585) -1 -16.753219 11.099927 0.068974 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=585) -1 -15.805104 10.949280 0.317271 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=585) -1 -17.173569 10.439202 0.672201 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=586) -1 6.082918 -7.492607 3.040413 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=586) -1 6.106099 -7.057003 3.914547 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=586) -1 6.343323 -6.734125 2.464078 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=587) -1 -8.203015 -19.830174 7.312527 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=587) -1 -7.973280 -18.849298 7.289680 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=587) -1 -7.580843 -20.077577 8.045113 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=588) -1 -12.922728 28.634074 -10.404276 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=588) -1 -12.518042 28.296174 -9.575549 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=588) -1 -13.283799 29.493426 -10.065855 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=589) -1 10.628458 6.952836 -17.528361 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=589) -1 11.307092 6.665489 -18.181003 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=589) -1 11.202420 7.507167 -16.943262 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=590) -1 26.400217 10.270413 -2.515276 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=590) -1 26.892363 10.928775 -1.957087 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=590) -1 25.651296 10.857998 -2.794760 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=591) -1 7.742509 3.757064 -14.478167 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=591) -1 7.811054 2.819407 -14.766767 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=591) -1 8.165950 4.200438 -15.246725 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=592) -1 -10.386386 -12.108106 17.632447 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=592) -1 -9.941340 -11.509105 18.271557 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=592) -1 -10.919783 -11.438624 17.133777 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=593) -1 32.354744 5.191453 -3.392647 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=593) -1 31.460829 5.415965 -3.760046 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=593) -1 32.906075 5.343228 -4.173379 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=594) -1 29.447566 0.356191 -7.798192 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=594) -1 30.044422 -0.212369 -8.301068 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=594) -1 28.573005 -0.013116 -8.049992 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=595) -1 27.050528 12.828170 13.903312 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=595) -1 26.313290 12.277578 14.263281 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=595) -1 27.811991 12.251111 14.164016 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=596) -1 -23.309199 4.493770 -11.668526 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=596) -1 -23.996479 4.541385 -10.966287 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=596) -1 -22.952863 3.592672 -11.491373 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=597) -1 27.440460 10.490856 -8.858609 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=597) -1 28.268546 10.401202 -9.387694 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=597) -1 26.779965 10.479840 -9.584199 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=598) -1 -8.920642 12.027554 2.181015 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=598) -1 -9.086154 11.060453 2.094239 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=598) -1 -9.616337 12.233094 2.865545 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=599) -1 18.889813 13.813543 13.511670 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=599) -1 18.047631 13.894683 13.999479 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=599) -1 19.328310 14.656875 13.760908 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=600) -1 7.073466 -9.396489 9.657023 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=600) -1 7.857887 -9.040767 10.099913 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=600) -1 7.248646 -9.116443 8.727319 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=601) -1 6.658207 -13.998348 9.342449 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=601) -1 7.594937 -13.996148 9.034820 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=601) -1 6.785150 -13.769376 10.285248 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=602) -1 -7.196602 -14.595930 19.597104 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=602) -1 -7.391920 -15.160803 18.820101 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=602) -1 -8.049314 -14.675691 20.083390 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=603) -1 1.622974 -13.462390 1.158312 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=603) -1 1.147109 -14.252641 1.503196 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=603) -1 2.007348 -13.119758 1.993962 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=604) -1 -8.800202 -15.803584 -3.913374 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=604) -1 -9.190038 -16.205300 -4.727325 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=604) -1 -8.910350 -14.844104 -4.165554 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=605) -1 -7.644497 13.214015 6.080919 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=605) -1 -8.440861 13.785397 6.022870 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=605) -1 -7.339199 13.263842 5.145558 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=606) -1 11.301978 -10.397086 -6.129620 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=606) -1 11.212846 -10.160911 -5.182912 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=606) -1 11.016338 -11.348182 -6.079122 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=607) -1 -12.135403 7.282548 -9.985808 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=607) -1 -12.616166 7.608024 -9.190298 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=607) -1 -11.718290 6.475400 -9.595262 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=608) -1 -26.709927 21.001485 -0.832498 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=608) -1 -27.135926 20.523825 -0.080586 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=608) -1 -27.430340 21.648306 -1.029194 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=609) -1 13.516360 19.489402 3.108651 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=609) -1 13.566039 20.341080 3.611076 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=609) -1 13.946245 19.784655 2.268857 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=610) -1 -2.011331 -14.434413 6.873608 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=610) -1 -2.760343 -13.866000 6.603035 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=610) -1 -1.613416 -14.647192 6.009058 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=611) -1 -3.306567 13.408200 5.502241 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=611) -1 -2.566215 13.323918 6.141818 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=611) -1 -2.802935 13.492866 4.663968 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=612) -1 -16.662364 27.550704 -8.616678 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=612) -1 -17.534301 27.519755 -8.159360 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=612) -1 -16.357127 28.440331 -8.320004 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=613) -1 25.390943 12.100297 6.079361 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=613) -1 25.669096 11.255014 5.630516 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=613) -1 25.734188 12.745060 5.442932 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=614) -1 12.777790 18.075884 6.663573 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=614) -1 13.757626 18.055268 6.750317 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=614) -1 12.578307 18.939704 7.054529 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=615) -1 -20.002240 14.012682 -8.388264 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=615) -1 -20.482379 13.201206 -8.694854 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=615) -1 -20.380271 14.071730 -7.479167 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=616) -1 -13.677678 11.855159 -3.154876 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=616) -1 -13.011217 11.134685 -3.201228 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=616) -1 -13.668584 12.036340 -2.184990 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=617) -1 31.505806 4.144683 10.956978 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=617) -1 31.357843 4.909396 10.345323 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=617) -1 31.835399 3.485116 10.304122 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=618) -1 -15.744614 -19.641505 -14.047106 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=618) -1 -15.024303 -20.281894 -13.906925 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=618) -1 -16.179811 -19.673828 -13.163637 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=619) -1 -9.287869 4.825194 11.422482 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=619) -1 -9.410673 5.776450 11.683786 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=619) -1 -8.785656 4.512312 12.206901 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=620) -1 -17.270801 22.616808 -15.066549 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=620) -1 -16.830139 23.083686 -15.815917 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=620) -1 -16.531656 22.022077 -14.794832 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=621) -1 -18.596157 -7.619947 -11.469390 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=621) -1 -17.680150 -7.731419 -11.843648 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=621) -1 -18.696609 -6.649016 -11.634640 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=622) -1 -19.066015 22.285613 -12.992084 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=622) -1 -18.485649 21.887080 -12.303139 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=622) -1 -18.439364 22.287749 -13.749514 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=623) -1 12.096588 -18.316203 -7.974100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=623) -1 12.724745 -18.820988 -8.550397 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=623) -1 12.666638 -17.513416 -7.822261 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=624) -1 -13.294851 16.243616 7.976607 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=624) -1 -14.127878 16.232330 7.443563 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=624) -1 -13.481553 17.037495 8.532735 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=625) -1 31.415043 7.479050 14.884505 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=625) -1 32.313012 7.385064 14.480603 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=625) -1 31.249406 6.527670 15.097145 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=626) -1 8.813068 -8.663187 4.785557 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=626) -1 9.787128 -8.757087 4.930312 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=626) -1 8.822243 -7.766026 4.355038 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=627) -1 10.559219 14.671258 11.744407 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=627) -1 10.612809 14.426674 10.798886 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=627) -1 10.442373 13.786233 12.152547 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=628) -1 11.482227 -8.688480 5.215441 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=628) -1 11.767640 -8.996721 4.327359 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=628) -1 11.961610 -9.337085 5.781429 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=629) -1 -3.879178 6.457332 8.681876 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=629) -1 -3.081358 6.418489 9.231608 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=629) -1 -4.235445 7.340485 8.944777 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=630) -1 23.772030 -13.264285 -4.728067 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=630) -1 24.171750 -13.037377 -5.613820 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=630) -1 23.283282 -14.083138 -5.013099 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=631) -1 4.658700 4.709361 8.731635 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=631) -1 3.869305 4.239825 8.412865 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=631) -1 5.025588 5.054527 7.890730 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=632) -1 -10.991347 9.355964 -6.300993 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=632) -1 -10.071378 9.669021 -6.484044 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=632) -1 -10.864099 8.395156 -6.514811 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=633) -1 -19.105287 24.033034 -9.228924 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=633) -1 -18.830350 24.244287 -10.137851 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=633) -1 -19.282343 23.070349 -9.313050 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=634) -1 27.828234 -5.080453 10.882437 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=634) -1 28.610648 -4.822645 11.438195 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=634) -1 27.846713 -4.331816 10.245650 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=635) -1 -20.198682 23.663799 4.823347 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=635) -1 -20.221623 23.456288 5.796805 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=635) -1 -20.213473 24.635920 4.867705 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=636) -1 16.911281 -18.671191 -1.797328 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=636) -1 16.806573 -18.423532 -2.757421 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=636) -1 17.892404 -18.787439 -1.788197 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=637) -1 -20.412680 -13.614870 -13.971564 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=637) -1 -20.151649 -14.523859 -14.276431 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=637) -1 -19.542682 -13.161776 -14.157466 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=638) -1 -24.732619 -18.558710 1.391630 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=638) -1 -24.302067 -19.288547 0.893532 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=638) -1 -24.105891 -18.473390 2.140569 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=639) -1 32.704728 -6.330047 -4.243913 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=639) -1 32.808985 -6.369360 -5.205125 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=639) -1 31.921912 -6.930071 -4.129700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=640) -1 -20.628189 3.684850 10.401598 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=640) -1 -21.507034 3.290226 10.661824 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=640) -1 -20.616566 3.398087 9.458426 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=641) -1 -16.063345 24.138397 -2.263889 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=641) -1 -16.764080 24.697863 -1.861356 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=641) -1 -15.838201 23.557260 -1.526351 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=642) -1 -24.031544 -23.027405 0.857711 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=642) -1 -23.617471 -23.434684 0.056445 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=642) -1 -23.746971 -23.652525 1.539906 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=643) -1 23.571501 11.500862 -13.292425 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=643) -1 23.563412 10.566991 -12.994852 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=643) -1 23.861872 11.942895 -12.464889 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=644) -1 -20.118768 8.452487 -6.966730 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=644) -1 -20.463631 9.008645 -6.226894 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=644) -1 -20.249885 7.560319 -6.559821 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=645) -1 -19.553147 21.285397 -9.627980 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=645) -1 -18.660927 21.273037 -10.069518 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=645) -1 -19.758564 20.311848 -9.747600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=646) -1 -18.275060 -6.842252 13.450160 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=646) -1 -17.782282 -7.585948 13.059434 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=646) -1 -17.633866 -6.105559 13.310264 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=647) -1 -15.610663 30.750760 0.223070 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=647) -1 -14.894099 30.091632 0.373910 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=647) -1 -16.188938 30.523397 0.993600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=648) -1 15.961632 15.329156 -3.254975 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=648) -1 16.161862 16.203788 -2.845900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=648) -1 16.691807 14.798015 -2.870458 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=649) -1 -18.051224 9.211149 1.453794 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=649) -1 -18.303916 9.232887 2.407931 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=649) -1 -18.946985 9.154873 1.050951 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=650) -1 -18.610704 29.442070 -14.672277 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=650) -1 -18.810783 28.480622 -14.743194 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=650) -1 -19.234372 29.809573 -15.310470 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=651) -1 18.877011 2.063772 11.927581 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=651) -1 19.272890 2.056360 12.838850 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=651) -1 18.935748 1.108672 11.722497 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=652) -1 -1.676038 -17.690100 6.216004 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=652) -1 -2.126482 -18.534279 6.359393 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=652) -1 -1.564077 -17.373299 7.136654 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=653) -1 14.091482 -16.165820 4.564448 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=653) -1 14.000100 -15.196633 4.775734 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=653) -1 13.716923 -16.140737 3.646927 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=654) -1 11.511607 3.335522 8.667102 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=654) -1 12.026654 2.931025 9.398449 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=654) -1 11.470439 2.571086 8.049026 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=655) -1 22.336356 -10.505340 -3.272458 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=655) -1 21.799024 -10.854400 -4.030786 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=655) -1 22.497634 -9.596817 -3.620082 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=656) -1 -9.609829 28.120476 -8.328460 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=656) -1 -10.562085 27.933952 -8.217983 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=656) -1 -9.468714 27.784211 -9.240089 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=657) -1 18.126494 13.895063 -2.141169 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=657) -1 17.768623 13.098082 -2.602948 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=657) -1 18.698066 13.451315 -1.476409 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=658) -1 -25.490507 -17.735649 -8.248548 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=658) -1 -25.406789 -17.021459 -8.937130 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=658) -1 -24.630766 -17.622116 -7.798188 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=659) -1 0.975213 11.115501 7.205894 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=659) -1 1.758246 11.557722 7.575647 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=659) -1 1.248757 10.166986 7.333907 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=660) -1 -13.209567 11.612105 -12.073096 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=660) -1 -13.757822 10.886292 -12.481934 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=660) -1 -12.863069 11.094890 -11.298450 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=661) -1 30.864931 0.083818 17.031350 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=661) -1 31.315665 -0.454763 16.340462 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=661) -1 30.127461 -0.526774 17.250787 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=662) -1 24.230395 -11.765922 -15.630348 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=662) -1 24.626185 -12.544493 -15.189075 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=662) -1 23.392513 -11.685548 -15.114877 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=663) -1 -12.498396 14.024066 -8.234710 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=663) -1 -13.484877 13.955966 -8.285498 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=663) -1 -12.298042 13.069755 -8.044230 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=664) -1 29.887200 5.587479 -4.298337 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=664) -1 29.642453 4.673728 -4.041439 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=664) -1 29.272343 5.727912 -5.051878 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=665) -1 -8.459993 -20.626948 2.317944 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=665) -1 -8.015088 -20.640869 3.208494 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=665) -1 -9.104869 -21.361445 2.476042 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=666) -1 25.883586 -5.955669 12.503226 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=666) -1 26.321240 -5.635868 13.309389 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=666) -1 26.572806 -5.708107 11.830731 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=667) -1 10.803932 -16.304860 -9.386248 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=667) -1 11.162194 -15.709426 -8.685517 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=667) -1 11.110868 -17.169237 -9.040927 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=668) -1 -25.281357 12.215519 4.500045 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=668) -1 -24.802009 11.549781 5.060417 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=668) -1 -26.009120 11.656318 4.176053 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=669) -1 -13.581453 3.859122 -9.934251 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=669) -1 -13.813204 2.999561 -10.334618 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=669) -1 -14.269010 4.430590 -10.349924 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=670) -1 12.607485 14.737833 0.684673 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=670) -1 13.451194 14.359194 0.982672 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=670) -1 12.240751 15.065631 1.536370 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=671) -1 13.970823 -16.251123 -2.845116 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=671) -1 14.097529 -16.912694 -3.567656 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=671) -1 12.984262 -16.218826 -2.844351 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=672) -1 -6.039737 -19.821427 -2.170212 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=672) -1 -6.278391 -19.561710 -1.259296 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=672) -1 -6.159678 -18.974225 -2.643250 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=673) -1 -15.014088 -23.026064 0.776354 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=673) -1 -14.032625 -22.958647 0.897545 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=673) -1 -15.286907 -22.501008 1.578247 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=674) -1 -13.027181 26.081231 -14.450018 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=674) -1 -12.045920 26.111403 -14.395559 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=674) -1 -13.136499 25.474542 -15.215563 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=675) -1 0.238804 -12.070829 -5.283461 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=675) -1 0.812457 -12.868205 -5.204875 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=675) -1 -0.637382 -12.497980 -5.102345 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=676) -1 -11.797959 13.698173 -3.839471 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=676) -1 -12.341348 14.493481 -4.008920 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=676) -1 -12.496859 13.033773 -3.671203 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=677) -1 10.921501 -17.998924 2.949198 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=677) -1 10.352213 -17.756658 2.184463 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=677) -1 11.698094 -18.358112 2.478791 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=678) -1 -16.418537 26.631965 -15.800926 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=678) -1 -15.872917 27.247688 -15.268922 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=678) -1 -17.314403 26.870465 -15.494222 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=679) -1 -7.902388 4.698422 18.276270 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=679) -1 -8.511720 5.439599 18.069814 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=679) -1 -8.545845 3.946791 18.228765 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=680) -1 -15.359577 16.345605 -4.243378 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=680) -1 -15.541944 15.669603 -4.939613 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=680) -1 -14.394223 16.219600 -4.143735 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=681) -1 -11.293006 16.734987 15.699215 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=681) -1 -10.340030 16.661080 15.932013 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=681) -1 -11.650835 15.968601 16.190735 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=682) -1 20.910515 15.348509 -9.447100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=682) -1 20.455419 15.764633 -8.680342 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=682) -1 20.181924 14.841595 -9.840154 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=683) -1 -8.430579 -13.082462 -13.567604 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=683) -1 -9.100590 -12.396330 -13.751754 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=683) -1 -8.948744 -13.699194 -13.008058 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=684) -1 11.351404 -9.392344 -8.590193 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=684) -1 11.652497 -10.207907 -9.021066 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=684) -1 11.317064 -9.705946 -7.645605 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=685) -1 -22.172957 13.455381 10.384975 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=685) -1 -21.968283 13.738897 9.467515 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=685) -1 -22.725098 12.660101 10.189911 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=686) -1 -22.866447 0.445583 -12.957215 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=686) -1 -23.369485 -0.053591 -12.259719 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=686) -1 -22.515901 1.172237 -12.384731 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=687) -1 19.003250 19.113552 -4.885936 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=687) -1 18.658206 19.063783 -5.807657 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=687) -1 19.374216 18.193652 -4.819623 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=688) -1 -5.292712 12.145877 6.944331 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=688) -1 -4.761678 12.795227 6.428840 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=688) -1 -6.196410 12.505249 6.769977 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=689) -1 19.643766 -17.643037 -4.161908 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=689) -1 19.689026 -18.230098 -3.379543 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=689) -1 20.083901 -16.842116 -3.797103 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=690) -1 -29.640307 -23.727938 -7.804284 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=690) -1 -29.251086 -23.607449 -8.678984 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=690) -1 -29.947839 -22.818145 -7.600551 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=691) -1 10.032275 -0.990428 10.724367 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=691) -1 9.950464 -1.875746 11.112986 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=691) -1 9.345067 -1.057479 10.007991 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=692) -1 10.559849 12.228952 12.997539 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=692) -1 10.380546 11.583418 13.728552 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=692) -1 10.701772 11.574797 12.264047 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=693) -1 21.131157 -7.803723 -15.109362 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=693) -1 21.664880 -7.305169 -14.438647 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=693) -1 21.029743 -8.652001 -14.592545 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=694) -1 31.975616 6.885795 -1.308176 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=694) -1 32.177564 6.257812 -2.035533 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=694) -1 32.223928 6.325107 -0.532514 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=695) -1 18.176981 -11.914013 10.808193 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=695) -1 18.655327 -12.751174 10.607715 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=695) -1 18.702271 -11.289871 10.263921 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=696) -1 -5.139177 8.711186 9.466614 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=696) -1 -5.715981 8.658086 8.664772 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=696) -1 -5.816773 8.522505 10.157779 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=697) -1 -3.210951 7.558671 -7.005321 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=697) -1 -2.302850 7.205933 -7.197662 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=697) -1 -3.740568 6.835179 -7.419587 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=698) -1 -19.207128 24.106194 -6.514165 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=698) -1 -19.632090 23.213270 -6.509667 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=698) -1 -19.048545 24.190282 -7.484396 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=699) -1 18.663864 -7.345988 -16.243380 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=699) -1 18.323103 -8.268880 -16.185344 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=699) -1 19.580374 -7.496274 -15.905392 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=700) -1 34.205956 10.543616 -1.890132 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=700) -1 35.111773 10.264483 -1.705838 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=700) -1 33.708978 10.016753 -1.221297 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=701) -1 -30.146570 -18.953254 -0.103825 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=701) -1 -29.436838 -19.558441 -0.427092 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=701) -1 -29.873787 -18.828341 0.814132 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=703) -1 -1.961526 0.873348 -11.172477 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=703) -1 -1.090163 1.324595 -11.330388 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=703) -1 -1.639581 -0.062921 -11.174674 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=704) -1 9.860440 12.869635 -13.401160 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=704) -1 9.852212 13.560529 -12.703369 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=704) -1 8.919883 12.684068 -13.499276 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=705) -1 15.454886 -17.441265 -6.623929 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=705) -1 14.807136 -16.880898 -7.122891 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=705) -1 14.823841 -17.833878 -5.967244 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=706) -1 -14.289843 14.182937 4.753975 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=706) -1 -14.533338 13.809895 3.870528 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=706) -1 -14.484913 13.376229 5.301940 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=707) -1 -11.828674 15.286720 -10.519109 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=707) -1 -11.988563 14.821781 -9.658118 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=707) -1 -11.164854 15.948209 -10.211107 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=708) -1 7.368271 -13.861948 4.390442 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=708) -1 7.447699 -14.617491 5.016392 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=708) -1 8.318907 -13.725868 4.181658 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=709) -1 18.096379 12.468992 11.271699 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=709) -1 18.355453 13.049858 12.026460 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=709) -1 18.425839 13.040549 10.526807 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=710) -1 -31.724416 -19.771703 -3.667101 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=710) -1 -32.201597 -20.490933 -4.120696 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=710) -1 -31.199072 -19.410771 -4.419181 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=711) -1 -7.930991 26.934977 -6.610986 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=711) -1 -7.456931 27.652739 -6.162059 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=711) -1 -8.578575 27.461377 -7.145834 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=712) -1 9.168199 -3.549810 3.000587 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=712) -1 9.433196 -2.623333 3.223120 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=712) -1 8.329008 -3.371282 2.529289 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=713) -1 0.112576 8.514363 -4.515502 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=713) -1 0.722249 8.502549 -3.734700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=713) -1 0.448048 7.696896 -4.967800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=715) -1 36.824145 -2.383732 4.796514 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=715) -1 36.317616 -2.449837 5.637688 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=715) -1 36.561455 -1.472537 4.523243 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=716) -1 16.635508 -5.719702 -15.462428 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=716) -1 17.263162 -6.412520 -15.792853 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=716) -1 16.600954 -6.002523 -14.512241 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=717) -1 -29.053111 22.660343 1.540866 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=717) -1 -29.515021 23.297839 2.103943 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=717) -1 -28.113041 22.922284 1.706699 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=718) -1 29.496744 2.982436 -3.424782 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=718) -1 28.559705 2.924919 -3.127495 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=718) -1 29.393550 2.632606 -4.346656 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=719) -1 -25.062414 -5.871673 -4.046877 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=719) -1 -24.675634 -5.888829 -4.959395 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=719) -1 -24.360597 -5.305036 -3.620472 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=720) -1 -7.117257 7.701182 11.114046 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=720) -1 -8.042169 7.552370 11.444742 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=720) -1 -6.917487 6.797049 10.792657 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=721) -1 31.376989 8.473444 7.965986 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=721) -1 31.460253 7.669498 8.514171 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=721) -1 32.160117 8.371502 7.379080 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=722) -1 29.396338 7.088980 11.419693 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=722) -1 29.553300 7.872307 11.982239 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=722) -1 29.131887 6.440003 12.114769 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=723) -1 -28.695524 -18.863460 -13.291679 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=723) -1 -29.193404 -18.027142 -13.174606 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=723) -1 -28.071363 -18.580089 -14.004331 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=724) -1 -18.767686 16.308243 -9.194182 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=724) -1 -18.234500 16.406242 -8.371269 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=724) -1 -19.249606 15.474318 -8.969849 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=725) -1 -8.320842 12.371036 13.482015 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=725) -1 -9.016222 11.841109 13.950544 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=725) -1 -7.808155 11.615173 13.087802 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=726) -1 -19.241247 16.543651 1.951583 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=726) -1 -18.796564 16.089248 1.194599 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=726) -1 -18.542723 16.425003 2.635285 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=727) -1 -18.507415 14.068611 12.361838 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=727) -1 -19.419221 13.709346 12.495270 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=727) -1 -18.007964 13.392353 12.890511 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=728) -1 -10.709039 12.542374 4.040066 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=728) -1 -10.429806 13.318593 4.572950 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=728) -1 -11.365807 12.139352 4.641719 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=729) -1 -11.645433 8.738071 6.699251 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=729) -1 -11.607567 8.532336 5.743534 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=729) -1 -11.323319 7.880787 7.065772 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=730) -1 -12.487673 19.424654 10.995055 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=730) -1 -13.148947 18.905700 10.483208 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=730) -1 -12.600076 19.056760 11.879165 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=731) -1 -10.337645 6.819740 -6.879806 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=731) -1 -9.464593 6.959870 -7.320405 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=731) -1 -10.681908 6.087550 -7.441080 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=732) -1 -12.172144 -21.526843 4.981989 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=732) -1 -13.116275 -21.556950 5.256326 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=732) -1 -11.732128 -21.574648 5.856855 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=733) -1 -3.219243 -2.797681 20.500308 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=733) -1 -3.549255 -2.259635 21.257609 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=733) -1 -3.395620 -2.169052 19.765153 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=734) -1 2.222138 12.040173 -4.071995 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=734) -1 1.663543 12.138230 -3.260159 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=734) -1 1.533327 12.020405 -4.754098 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=735) -1 -14.731430 31.637285 -4.482387 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=735) -1 -13.978566 31.091580 -4.151922 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=735) -1 -15.026121 32.017166 -3.613059 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=736) -1 30.326734 4.248516 0.193428 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=736) -1 31.143344 4.777264 0.407342 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=736) -1 30.710261 3.691688 -0.529143 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=737) -1 -5.598286 -18.864832 13.320215 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=737) -1 -5.334992 -18.004938 12.898171 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=737) -1 -6.292469 -19.135222 12.673615 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=738) -1 7.594185 -8.377346 7.186204 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=738) -1 6.877331 -7.915272 6.683880 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=738) -1 8.143971 -8.664057 6.412477 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=739) -1 -24.330302 10.275556 6.166339 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=739) -1 -24.387838 9.345660 5.821604 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=739) -1 -23.522815 10.164169 6.730392 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=740) -1 -10.435615 26.509118 -0.396672 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=740) -1 -9.561020 26.714082 0.012695 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=740) -1 -10.120567 25.949441 -1.149748 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=741) -1 -0.942804 -17.435567 -6.590433 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=741) -1 -0.557293 -18.211542 -7.021402 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=741) -1 -1.880329 -17.504972 -6.888038 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=742) -1 7.945653 1.969365 12.958824 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=742) -1 7.081905 1.558868 12.802016 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=742) -1 7.767352 2.887101 12.629314 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=743) -1 28.961956 11.002556 14.345998 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=743) -1 29.834558 11.066402 14.761677 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=743) -1 28.904128 10.022590 14.211970 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=744) -1 -9.642290 2.772747 17.721567 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=744) -1 -9.946708 3.118120 16.856549 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=744) -1 -9.585880 1.812257 17.517543 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=745) -1 1.064789 -5.466134 -7.762789 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=745) -1 1.133107 -4.699703 -7.133545 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=745) -1 2.025823 -5.520637 -8.018257 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=746) -1 19.674733 -14.449779 7.053988 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=746) -1 19.675137 -14.388343 6.064759 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=746) -1 20.625740 -14.195856 7.204071 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=747) -1 33.529212 -0.670698 5.418563 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=747) -1 34.243859 -0.435736 4.780498 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=747) -1 33.576378 0.119917 6.006000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=748) -1 -20.378876 21.723745 -6.986340 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=748) -1 -21.317670 22.003993 -7.093276 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=748) -1 -20.172264 21.458265 -7.905593 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=749) -1 -11.049855 23.586448 -14.545810 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=749) -1 -10.300701 23.105952 -14.133124 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=749) -1 -10.684885 24.500344 -14.546596 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=750) -1 -9.738743 -2.453017 22.908069 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=750) -1 -9.326088 -1.582581 22.741280 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=750) -1 -10.587779 -2.199221 23.287283 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=751) -1 -29.160222 -12.441646 -8.209485 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=751) -1 -28.656470 -11.589978 -8.244435 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=751) -1 -28.982644 -12.765255 -9.120600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=752) -1 -27.459009 -6.305687 -5.520418 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=752) -1 -26.695454 -6.341820 -4.904317 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=752) -1 -27.218250 -5.485598 -6.021908 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=753) -1 11.921604 1.953611 14.293592 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=753) -1 11.473943 1.641719 13.464856 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=753) -1 11.115138 2.225893 14.797111 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=754) -1 -1.536240 -2.053090 13.969839 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=754) -1 -1.829800 -1.830480 14.891270 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=754) -1 -0.867080 -2.749452 14.193503 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=755) -1 28.657573 5.600222 -11.486259 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=755) -1 28.099347 6.365924 -11.239773 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=755) -1 28.198563 5.309923 -12.308373 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=756) -1 -0.737816 12.922484 0.659383 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=756) -1 -0.339118 13.510019 -0.004683 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=756) -1 -0.036536 12.227019 0.717453 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=757) -1 28.059817 -7.439820 -2.972961 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=757) -1 28.304585 -8.126128 -2.306122 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=757) -1 27.487509 -7.998774 -3.557346 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=758) -1 -11.311659 -22.509119 -6.950168 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=758) -1 -11.335464 -23.367883 -6.463829 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=758) -1 -12.036447 -22.635587 -7.577820 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=759) -1 -8.720735 -10.385138 19.213415 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=759) -1 -8.004390 -11.064619 19.153747 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=759) -1 -8.291455 -9.777299 19.868278 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=760) -1 3.079987 0.690150 -12.924932 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=760) -1 2.523180 0.178169 -12.299050 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=760) -1 2.960550 1.593604 -12.557808 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=761) -1 14.022159 21.673892 4.616833 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=761) -1 14.635519 22.352490 4.267071 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=761) -1 14.602918 21.254564 5.290420 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=762) -1 22.062861 -13.203404 -2.573738 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=762) -1 22.728764 -13.307853 -3.297028 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=762) -1 22.029592 -12.223328 -2.533318 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=763) -1 -17.312442 16.043697 3.866061 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=763) -1 -17.654133 16.389282 4.723974 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=763) -1 -17.282417 15.077727 4.107115 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=764) -1 9.709870 -16.925987 0.711759 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=764) -1 10.052891 -16.065611 1.066343 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=764) -1 8.854082 -16.587675 0.338354 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=765) -1 -6.805389 6.905494 16.115251 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=765) -1 -6.070321 6.982455 16.775630 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=765) -1 -6.605902 5.998525 15.779373 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=766) -1 -14.752894 28.070931 -14.106379 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=766) -1 -14.151287 27.290399 -14.251852 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=766) -1 -14.071277 28.708758 -13.779393 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=767) -1 13.717976 5.299040 -21.488722 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=767) -1 13.510016 5.939162 -20.781092 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=767) -1 13.188181 4.528397 -21.185491 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=768) -1 -7.577882 9.302000 15.228505 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=768) -1 -8.546940 9.130862 15.305956 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=768) -1 -7.243571 8.414237 15.514534 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=769) -1 -8.898887 19.211248 -5.221384 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=769) -1 -9.214668 18.731173 -6.017442 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=769) -1 -9.360572 18.686623 -4.523738 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=770) -1 -12.541993 -18.582199 8.036517 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=770) -1 -13.273403 -18.932872 7.480993 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=770) -1 -13.083297 -18.096974 8.708872 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=771) -1 -4.750054 -6.849924 -10.425685 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=771) -1 -4.005665 -6.805867 -9.764626 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=771) -1 -4.858913 -5.877729 -10.572941 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=772) -1 10.990095 7.030173 -11.915150 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=772) -1 11.069123 7.867095 -12.433334 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=772) -1 11.805047 7.106762 -11.369806 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=773) -1 -27.131285 23.740362 -2.768574 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=773) -1 -26.692479 24.093294 -1.954088 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=773) -1 -27.943231 23.367690 -2.350424 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=774) -1 -14.851977 11.906983 6.041335 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=774) -1 -13.944793 11.564827 5.818364 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=774) -1 -15.080771 11.242089 6.742653 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=775) -1 15.167395 5.809946 12.670030 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=775) -1 14.610776 5.076657 13.008797 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=775) -1 15.945905 5.289426 12.350352 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=776) -1 -26.513303 4.177798 3.667584 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=776) -1 -25.924870 3.659454 4.265551 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=776) -1 -26.770242 3.464396 3.040232 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=777) -1 -26.357536 22.406898 -4.968351 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=777) -1 -26.667992 23.051179 -4.274801 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=777) -1 -26.759855 21.587845 -4.571519 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=778) -1 9.442144 4.890151 -16.294537 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=778) -1 9.686738 5.732215 -16.766150 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=778) -1 9.960785 4.263180 -16.862016 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=779) -1 9.276575 -16.102602 -6.888745 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=779) -1 10.159634 -15.647021 -6.995289 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=779) -1 9.103775 -16.311474 -7.827751 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=780) -1 35.898984 7.586951 2.231577 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=780) -1 35.745576 8.282042 2.896668 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=780) -1 34.976808 7.466090 1.899440 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=781) -1 -6.375960 -3.382513 22.014368 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=781) -1 -6.968328 -2.794350 21.495982 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=781) -1 -5.716827 -2.722681 22.326692 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=782) -1 -27.485794 20.426271 -3.517015 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=782) -1 -27.049183 20.289021 -2.654506 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=782) -1 -28.423160 20.296440 -3.263382 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=783) -1 23.528112 9.289444 -1.010019 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=783) -1 24.259794 8.775973 -0.620812 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=783) -1 23.632166 9.078216 -1.959213 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=784) -1 6.835392 5.806617 9.905327 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=784) -1 5.977489 5.396279 9.651944 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=784) -1 6.977341 5.380378 10.777459 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=785) -1 -23.775600 3.163757 -6.782237 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=785) -1 -23.146357 3.044926 -6.013351 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=785) -1 -23.765768 2.235903 -7.116237 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=786) -1 3.343561 4.493215 5.104396 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=786) -1 2.949833 4.626833 4.212101 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=786) -1 4.271953 4.269925 4.832581 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=787) -1 7.982054 -15.758529 6.267839 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=787) -1 8.423374 -15.255920 6.991414 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=787) -1 8.772307 -16.196093 5.871412 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=788) -1 -13.939724 1.638321 -13.748009 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=788) -1 -14.175807 1.473810 -12.808008 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=788) -1 -14.745135 1.250763 -14.183155 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=789) -1 27.766811 -12.649352 -10.271350 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=789) -1 26.843258 -12.353633 -10.112511 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=789) -1 27.760619 -12.637760 -11.261917 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=790) -1 -12.013101 -16.000829 -10.912466 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=790) -1 -12.916516 -15.819205 -10.596391 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=790) -1 -12.224813 -16.545894 -11.714982 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=791) -1 -16.815436 -10.112090 -14.342432 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=791) -1 -15.859241 -10.149345 -14.153987 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=791) -1 -17.073531 -9.316017 -13.848006 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=792) -1 26.961467 3.399602 -2.550339 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=792) -1 26.720667 4.200615 -3.069087 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=792) -1 27.172424 3.827977 -1.686293 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=793) -1 1.595739 8.312992 -2.303273 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=793) -1 2.141055 7.479822 -2.267487 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=793) -1 1.099208 8.207818 -1.466614 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=794) -1 12.396031 8.122907 -15.870398 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=794) -1 13.054750 8.856481 -15.844790 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=794) -1 12.874114 7.450069 -15.338207 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=795) -1 7.612575 -15.420839 -0.172997 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=795) -1 7.907639 -14.508225 -0.380259 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=795) -1 6.682759 -15.380949 -0.435514 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=796) -1 37.907974 -4.303558 3.183132 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=796) -1 37.704640 -3.555147 3.787439 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=796) -1 37.498150 -5.040778 3.652141 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=797) -1 -8.936729 -15.437394 -1.222553 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=797) -1 -8.639615 -15.450158 -2.162124 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=797) -1 -8.904806 -16.413070 -1.039024 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=798) -1 28.755856 5.466650 7.549226 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=798) -1 28.868452 6.352675 7.122802 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=798) -1 27.836803 5.272876 7.290931 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=799) -1 -12.164140 5.412879 -13.773211 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=799) -1 -11.230979 5.511703 -13.521696 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=799) -1 -12.056401 4.842713 -14.582204 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=801) -1 30.910602 -6.603221 2.160940 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=801) -1 30.332710 -6.837255 1.409593 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=801) -1 30.248942 -6.499650 2.876735 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=802) -1 -7.617499 20.860301 -3.547468 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=802) -1 -7.553238 20.123138 -2.883458 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=802) -1 -8.072475 20.339679 -4.268182 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=803) -1 34.908653 3.354404 5.528255 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=803) -1 35.331263 3.057010 4.685945 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=803) -1 35.047954 4.310400 5.467228 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=804) -1 -8.977909 -23.091311 5.222389 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=804) -1 -9.539718 -23.004807 4.428288 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=804) -1 -9.588754 -22.782563 5.919194 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=805) -1 3.473621 -0.180689 -3.925532 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=805) -1 4.052798 0.388075 -4.484392 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=805) -1 2.694187 0.428887 -3.857877 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=806) -1 -26.437845 -1.665435 6.350676 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=806) -1 -27.092673 -2.339126 6.589178 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=806) -1 -25.617158 -2.229318 6.333915 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=807) -1 -12.070216 5.225569 13.681595 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=807) -1 -12.583281 5.178609 12.835806 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=807) -1 -11.737729 6.163774 13.579713 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=808) -1 6.371086 -0.756011 -11.327430 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=808) -1 6.661764 -1.537930 -11.856282 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=808) -1 6.224795 -1.201873 -10.459753 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=809) -1 -15.547767 29.838223 -7.773533 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=809) -1 -14.696524 29.725030 -7.277714 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=809) -1 -15.191559 30.326865 -8.555972 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=810) -1 13.865860 0.058474 14.713387 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=810) -1 14.470802 0.577633 15.259292 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=810) -1 13.136183 0.703124 14.575051 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=811) -1 -10.716657 -17.176720 -8.803395 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=811) -1 -11.065132 -18.082562 -9.023084 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=811) -1 -11.170870 -16.678304 -9.529402 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=812) -1 -19.359893 -21.822594 1.213155 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=812) -1 -20.090850 -21.807588 0.558881 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=812) -1 -18.604780 -22.028320 0.618972 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=813) -1 -16.467344 -4.926448 12.947561 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=813) -1 -16.568361 -4.256856 12.231471 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=813) -1 -15.758192 -5.480700 12.558810 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=814) -1 -0.586426 -16.722754 -0.256061 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=814) -1 -1.195944 -17.414059 0.084445 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=814) -1 -0.244162 -16.364210 0.588691 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=815) -1 -1.840150 -15.784550 -10.997645 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=815) -1 -2.101408 -14.927121 -11.386341 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=815) -1 -1.010799 -15.500708 -10.527207 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=816) -1 11.753367 9.138124 -13.400509 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=816) -1 11.651676 8.951459 -14.363587 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=816) -1 12.625940 8.662950 -13.264526 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=817) -1 22.616006 -2.796953 -18.344498 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=817) -1 22.491719 -1.852794 -18.539368 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=817) -1 21.846472 -2.963554 -17.758196 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=818) -1 -17.302180 21.285055 -11.129295 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=818) -1 -16.956244 20.459573 -11.546926 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=818) -1 -16.450906 21.684216 -10.836540 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=819) -1 26.419587 11.821819 8.609660 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=819) -1 26.880937 11.029327 8.214158 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=819) -1 25.912433 12.084822 7.797914 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=820) -1 -26.589938 0.265953 -0.313255 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=820) -1 -26.974365 0.926849 0.283775 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=820) -1 -27.045024 0.457421 -1.151218 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=821) -1 -6.056111 0.560651 22.504601 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=821) -1 -5.869153 1.410937 22.041190 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=821) -1 -7.033742 0.551317 22.459521 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=822) -1 -7.956443 7.393526 -8.126076 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=822) -1 -7.594867 6.700546 -8.714784 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=822) -1 -7.111502 7.777652 -7.783154 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=823) -1 -22.629765 3.473214 6.767305 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=823) -1 -21.862109 2.992240 7.158384 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=823) -1 -22.134513 4.250783 6.391068 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=824) -1 17.142031 20.140821 -3.140524 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=824) -1 17.860933 19.960281 -3.790082 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=824) -1 16.994336 19.232786 -2.803244 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=825) -1 11.240867 10.517128 11.069768 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=825) -1 12.163418 10.879230 11.035598 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=825) -1 11.401635 9.624713 10.704299 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=826) -1 25.087082 -5.897100 -15.078726 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=826) -1 25.247388 -5.287953 -14.317708 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=826) -1 24.977842 -5.219681 -15.792831 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=827) -1 -7.628828 25.370730 -8.851510 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=827) -1 -6.951271 24.744675 -8.464912 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=827) -1 -7.725969 25.957935 -8.059532 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=828) -1 -10.673897 13.529730 16.282277 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=828) -1 -9.706001 13.643338 16.400328 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=828) -1 -10.671511 12.670546 15.793886 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=829) -1 -16.259124 15.662400 14.768241 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=829) -1 -15.634243 16.345763 15.091246 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=829) -1 -16.773571 16.174146 14.117667 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=830) -1 -16.369652 30.151715 -13.330611 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=830) -1 -17.242888 29.997499 -13.768588 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=830) -1 -15.899949 29.340467 -13.631860 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=831) -1 -18.187878 4.660781 15.197366 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=831) -1 -18.368293 5.617849 15.206079 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=831) -1 -18.489086 4.424255 14.295477 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=832) -1 -23.891120 23.727019 2.042718 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=832) -1 -23.547975 24.229567 1.275996 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=832) -1 -23.072704 23.289030 2.354689 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=833) -1 34.948520 -2.459341 6.819911 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=833) -1 34.467728 -3.319325 6.761302 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=833) -1 34.327172 -1.900119 6.289406 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=834) -1 -8.704233 -4.866632 21.989416 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=834) -1 -9.191172 -4.087274 22.345447 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=834) -1 -7.784367 -4.534334 22.076663 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=835) -1 -31.547539 -17.588833 -1.933388 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=835) -1 -31.077666 -18.050005 -1.190044 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=835) -1 -31.836234 -18.380954 -2.442215 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=836) -1 -17.337009 12.054975 13.711975 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=836) -1 -17.884532 11.283846 13.979567 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=836) -1 -16.660126 11.586320 13.157148 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=837) -1 0.923412 -0.635051 11.195878 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=837) -1 0.306769 -1.262680 10.784599 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=837) -1 0.346084 0.188718 11.166958 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=838) -1 -19.002482 -0.474229 -1.663613 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=838) -1 -18.341041 -0.777201 -1.015608 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=838) -1 -18.571177 0.340123 -1.997272 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=839) -1 19.679749 16.449828 11.202118 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=839) -1 20.161285 15.650490 10.860370 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=839) -1 18.919769 16.455950 10.602037 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=840) -1 32.809622 9.084436 -0.110751 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=840) -1 32.459589 8.343242 -0.683122 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=840) -1 33.047263 8.522403 0.678334 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=841) -1 -9.773760 12.656707 -6.466656 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=841) -1 -10.578290 12.296471 -6.911435 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=841) -1 -9.139591 11.936630 -6.696917 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=842) -1 -14.104273 28.474560 0.492844 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=842) -1 -13.786596 28.008735 1.299558 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=842) -1 -14.972276 28.040658 0.368555 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=843) -1 8.950300 5.336362 14.433521 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=843) -1 9.768737 5.786445 14.154279 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=843) -1 9.306638 4.520662 14.829826 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=844) -1 -22.932734 -12.607443 -14.390978 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=844) -1 -22.032521 -12.998156 -14.460640 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=844) -1 -22.748282 -11.867845 -13.780025 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=845) -1 6.951076 14.460007 -5.442027 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=845) -1 5.981133 14.340946 -5.308682 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=845) -1 6.931813 14.898956 -6.330066 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=846) -1 13.508132 -16.185062 -10.328094 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=846) -1 13.585020 -16.080799 -9.345476 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=846) -1 12.542227 -16.073822 -10.426740 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=847) -1 -0.936534 1.030705 15.267763 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=847) -1 -0.131730 0.524818 15.004276 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=847) -1 -1.131244 1.450936 14.383096 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=848) -1 -24.784996 6.150110 3.011400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=848) -1 -25.554976 5.573382 3.215470 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=848) -1 -24.821974 6.779860 3.747767 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=849) -1 10.133331 -13.928236 4.327166 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=849) -1 10.268837 -14.850009 4.657602 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=849) -1 10.435930 -13.430063 5.122026 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=850) -1 -9.534800 11.523255 -3.884696 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=850) -1 -8.640763 11.832774 -3.615666 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=850) -1 -9.718961 12.149571 -4.614789 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=851) -1 -24.343238 -26.799968 -4.701734 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=851) -1 -24.033391 -26.364295 -5.535831 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=851) -1 -23.560790 -26.608536 -4.134341 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=852) -1 -21.132341 22.837384 -11.274230 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=852) -1 -20.769680 22.145605 -10.676242 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=852) -1 -20.530089 22.709021 -12.045298 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=853) -1 -30.166567 -18.811579 -5.719709 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=853) -1 -29.428066 -18.543914 -6.326929 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=853) -1 -30.158213 -17.998755 -5.141349 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=854) -1 5.684464 0.806438 -13.415188 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=854) -1 5.893251 0.234245 -12.634607 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=854) -1 4.696371 0.690159 -13.413854 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=855) -1 -20.268774 23.194643 7.432659 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=855) -1 -20.788913 23.522024 8.211998 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=855) -1 -20.239300 22.238446 7.664239 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=856) -1 -17.934211 17.085068 -11.689537 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=856) -1 -17.379132 16.347431 -12.037046 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=856) -1 -18.183620 16.693988 -10.816655 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=857) -1 3.069407 -5.066562 -2.438548 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=857) -1 2.996094 -4.287034 -3.027678 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=857) -1 2.972218 -4.620693 -1.560059 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=858) -1 -5.662585 4.998755 19.711216 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=858) -1 -6.530779 4.891475 19.253362 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=858) -1 -5.262667 5.688527 19.140171 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=859) -1 7.562008 12.261059 -3.941118 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=859) -1 8.442742 12.414926 -3.513829 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=859) -1 7.444876 13.139112 -4.374837 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=860) -1 -11.705456 9.991611 -3.729537 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=860) -1 -11.652565 9.707491 -4.673593 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=860) -1 -10.897574 10.574003 -3.711088 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=861) -1 -12.246370 27.273312 -8.076150 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=861) -1 -12.880773 26.607345 -8.430787 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=861) -1 -11.864247 26.746337 -7.332705 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=862) -1 -11.999178 13.277405 -13.815793 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=862) -1 -11.570181 12.645404 -14.410070 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=862) -1 -12.430257 12.658568 -13.176701 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=863) -1 32.896460 -0.344779 12.944687 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=863) -1 32.838299 0.630686 12.932435 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=863) -1 33.765186 -0.464290 12.491058 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=864) -1 -14.852758 -21.337421 5.528884 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=864) -1 -14.930404 -20.615334 6.205188 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=864) -1 -15.731921 -21.768863 5.680631 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=865) -1 1.818554 -13.153556 -1.485310 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=865) -1 1.795228 -13.304857 -0.506212 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=865) -1 1.207294 -13.873841 -1.767453 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=866) -1 -26.853645 -12.615810 -0.166779 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=866) -1 -25.962375 -12.486105 -0.577499 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=866) -1 -26.990820 -11.689855 0.159785 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=867) -1 9.434550 2.648002 15.157596 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=867) -1 8.898902 2.361052 14.383148 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=867) -1 8.873859 2.356987 15.889476 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=868) -1 -8.306200 -0.020705 12.432156 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=868) -1 -7.747412 -0.239210 11.645393 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=868) -1 -7.669423 0.537493 12.926620 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=869) -1 16.009155 20.342797 5.964089 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=869) -1 16.392364 20.136150 5.085559 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=869) -1 15.980688 19.450577 6.363523 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=870) -1 35.460774 -5.844394 0.256811 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=870) -1 34.915360 -5.730361 -0.547241 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=870) -1 34.843160 -6.350664 0.822760 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=871) -1 -13.065496 11.405968 14.499451 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=871) -1 -13.888400 11.903259 14.676224 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=871) -1 -13.431277 10.584132 14.108901 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=872) -1 -2.306490 -1.203621 16.382075 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=872) -1 -1.912700 -0.314539 16.305448 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=872) -1 -2.861075 -1.107179 17.174614 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=873) -1 -0.571843 -7.525809 -7.535556 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=873) -1 0.020578 -6.732161 -7.634994 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=873) -1 -0.145151 -8.130385 -8.162861 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=874) -1 -20.506132 9.175968 0.172744 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=874) -1 -20.872663 9.088506 1.095218 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=874) -1 -21.157937 8.640746 -0.310064 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=875) -1 -25.436013 22.099691 -7.480000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=875) -1 -25.838837 22.261337 -6.592290 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=875) -1 -26.033648 21.424306 -7.827437 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=876) -1 13.633925 -11.006217 9.299502 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=876) -1 13.363242 -10.372380 9.985583 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=876) -1 14.365692 -11.472446 9.794266 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=877) -1 27.815898 1.373974 15.364792 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=877) -1 27.692745 0.390298 15.305954 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=877) -1 27.017489 1.648331 14.858725 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=878) -1 -17.379031 13.607876 4.967998 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=878) -1 -17.276963 12.681274 4.660077 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=878) -1 -17.011341 13.527956 5.874542 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=879) -1 -8.064735 22.637965 -1.434290 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=879) -1 -8.083635 21.871130 -0.803588 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=879) -1 -7.880182 22.131226 -2.263544 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=880) -1 -21.528856 8.990303 10.306508 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=880) -1 -21.212439 9.424561 11.136764 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=880) -1 -21.123802 8.101884 10.428216 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=881) -1 -26.651138 16.703247 -0.645155 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=881) -1 -26.562346 15.971464 -1.271314 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=881) -1 -25.859115 16.556625 -0.077119 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=882) -1 24.892864 -11.938646 4.979927 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=882) -1 24.507187 -12.648899 4.406055 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=882) -1 24.650541 -12.307226 5.862024 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=883) -1 16.001795 3.893895 -21.751002 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=883) -1 16.480189 4.322611 -21.005628 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=883) -1 15.210479 4.481364 -21.797141 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=884) -1 10.689693 12.992938 -0.134273 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=884) -1 11.415961 13.640399 0.029915 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=884) -1 10.177084 13.118976 0.697135 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=885) -1 -15.372419 10.985869 12.304863 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=885) -1 -15.124311 11.205770 11.387384 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=885) -1 -14.743894 10.259362 12.498117 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=886) -1 -1.826356 -10.175453 15.037686 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=886) -1 -1.970139 -11.152969 15.070718 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=886) -1 -0.887824 -10.178243 14.717097 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=887) -1 21.699127 0.257151 15.676251 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=887) -1 21.806716 -0.535386 15.118194 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=887) -1 22.519094 0.255924 16.185896 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=888) -1 -10.990732 25.293132 2.007230 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=888) -1 -10.979327 25.757639 1.135894 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=888) -1 -10.164086 24.765129 1.907171 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=889) -1 25.713515 -13.381704 12.298168 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=889) -1 25.179473 -13.162941 11.512875 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=889) -1 25.516980 -12.614037 12.874556 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=890) -1 6.368015 3.411215 -10.069100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=890) -1 6.103149 3.561041 -11.006720 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=890) -1 7.054915 2.717605 -10.211075 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=891) -1 -4.464649 -10.901980 14.991461 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=891) -1 -3.662206 -10.361960 14.820652 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=891) -1 -4.065682 -11.800906 14.932443 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=892) -1 -29.764141 -14.259082 -6.369248 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=892) -1 -29.664988 -14.996363 -7.017714 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=892) -1 -29.546625 -13.503465 -6.981253 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=893) -1 -6.557734 -0.236086 -13.194226 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=893) -1 -6.767326 0.543624 -13.742785 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=893) -1 -7.300610 -0.173617 -12.537130 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=894) -1 -18.031792 7.521954 14.709733 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=894) -1 -17.054905 7.429414 14.723317 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=894) -1 -18.196419 7.296069 13.759344 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=895) -1 25.253677 -10.069445 10.175679 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=895) -1 24.949438 -10.956197 10.454651 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=895) -1 25.259691 -9.602887 11.040963 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=896) -1 11.452895 6.369433 13.412608 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=896) -1 12.053499 6.918487 12.843460 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=896) -1 11.605762 6.856716 14.270218 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=897) -1 -14.077868 -15.143720 18.055533 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=897) -1 -14.056126 -15.959930 18.608976 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=897) -1 -13.305145 -14.670291 18.437716 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=898) -1 20.067790 -14.126572 4.389943 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=898) -1 19.846469 -13.189840 4.198077 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=898) -1 19.799106 -14.530046 3.523131 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=899) -1 9.294490 10.971523 3.103977 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=899) -1 9.315207 11.905809 2.821139 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=899) -1 9.926955 10.571231 2.481517 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=900) -1 -25.427155 -10.463219 -10.109986 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=900) -1 -25.530444 -11.347817 -10.538970 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=900) -1 -24.498681 -10.264213 -10.411944 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=901) -1 27.936612 5.862794 -6.209417 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=901) -1 27.676125 5.064061 -6.727298 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=901) -1 27.785641 6.553325 -6.899728 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=902) -1 -26.624982 -9.920373 0.360967 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=902) -1 -27.267813 -9.200197 0.287355 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=902) -1 -25.797845 -9.401038 0.519660 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=903) -1 34.032954 1.389174 7.120176 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=903) -1 33.494231 1.905415 7.752550 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=903) -1 34.373584 2.129061 6.553048 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=904) -1 -12.444070 19.607252 6.337661 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=904) -1 -11.552512 19.511635 5.953650 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=904) -1 -12.226186 19.895672 7.245910 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=905) -1 33.502837 -7.181539 1.742426 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=905) -1 32.577059 -6.925424 1.998347 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=905) -1 33.889971 -7.244020 2.650787 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=906) -1 -26.444539 23.038343 2.082718 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=906) -1 -25.518452 23.401017 2.168984 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=906) -1 -26.282470 22.166171 2.529046 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=907) -1 2.602257 -15.305283 10.699071 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=907) -1 2.016789 -15.420299 9.902399 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=907) -1 2.789379 -16.237521 10.897720 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=908) -1 -22.951815 13.132248 0.830234 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=908) -1 -22.243794 13.651820 0.382554 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=908) -1 -22.697664 12.230796 0.580934 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=909) -1 13.579742 -18.165834 -4.797603 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=909) -1 12.648711 -18.075521 -5.110596 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=909) -1 13.435162 -18.877600 -4.118589 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=910) -1 9.302174 -6.425218 8.081869 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=910) -1 8.611690 -7.083202 7.869086 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=910) -1 8.771619 -5.602213 8.102858 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=911) -1 -27.822066 -16.145129 -10.472337 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=911) -1 -27.791682 -17.144507 -10.548794 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=911) -1 -26.832624 -16.017578 -10.328248 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=912) -1 12.176832 7.673733 15.620789 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=912) -1 13.021472 7.178962 15.766392 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=912) -1 12.525513 8.593816 15.725017 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=913) -1 -26.029397 24.295500 -0.381545 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=913) -1 -25.133291 24.635951 -0.186193 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=913) -1 -26.254482 23.878917 0.474458 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=914) -1 -1.786389 12.808622 3.290306 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=914) -1 -2.074727 11.923849 2.948123 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=914) -1 -1.426397 13.177873 2.450160 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=915) -1 19.237465 -17.173538 -9.002677 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=915) -1 19.825863 -17.194906 -9.789009 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=915) -1 19.688426 -16.490334 -8.466012 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=916) -1 -6.320193 10.861061 -5.477589 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=916) -1 -5.517133 10.585857 -4.961792 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=916) -1 -6.662196 11.546193 -4.855015 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=917) -1 24.129021 -12.706746 10.082542 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=917) -1 24.186255 -12.636943 9.099322 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=917) -1 23.491838 -13.450049 10.154245 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=918) -1 1.464064 -0.372592 -10.988164 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=918) -1 1.805395 -0.774960 -10.168862 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=918) -1 0.645082 -0.898587 -11.120339 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=919) -1 26.727438 -9.342910 -4.401342 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=919) -1 26.079635 -10.021225 -4.092253 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=919) -1 26.573608 -9.414112 -5.375428 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=920) -1 -11.049351 26.061458 -5.879807 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=920) -1 -10.266170 25.575780 -5.528224 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=920) -1 -11.610609 25.296105 -6.140670 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=921) -1 -21.766011 22.319633 3.104311 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=921) -1 -21.256983 22.792966 3.804086 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=921) -1 -22.285511 21.701738 3.668964 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=922) -1 -4.872194 -7.821345 20.949742 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=922) -1 -3.946942 -8.120530 20.775395 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=922) -1 -4.699229 -6.861606 21.099044 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=923) -1 30.188163 2.486624 15.975445 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=923) -1 30.532597 1.688191 16.449126 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=923) -1 29.285729 2.138024 15.750312 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=924) -1 -18.757930 10.752062 -7.761538 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=924) -1 -19.625625 11.073640 -8.111946 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=924) -1 -19.007665 9.814700 -7.582749 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=925) -1 12.627823 -17.184183 6.574975 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=925) -1 13.166777 -17.932992 6.872343 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=925) -1 13.189045 -16.843176 5.835617 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=926) -1 -20.595545 6.619643 -14.651520 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=926) -1 -20.062798 5.900008 -15.063401 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=926) -1 -21.492969 6.214310 -14.734874 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=927) -1 -13.592607 8.636406 -8.053825 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=927) -1 -13.557892 8.843679 -7.097907 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=927) -1 -14.437157 8.122506 -8.081734 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=929) -1 -30.009867 -24.707687 -5.314172 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=929) -1 -29.590792 -25.606411 -5.285359 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=929) -1 -29.867186 -24.508654 -6.273428 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=930) -1 23.648998 -7.792718 -16.416224 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=930) -1 22.726879 -7.807983 -16.089446 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=930) -1 24.048254 -7.147402 -15.790924 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=931) -1 -23.379153 25.155564 -0.249280 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=931) -1 -22.646791 25.786337 -0.058757 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=931) -1 -23.424876 25.223533 -1.216276 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=932) -1 -15.493313 4.207940 13.015056 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=932) -1 -16.033915 3.788265 12.303330 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=932) -1 -14.728304 4.509117 12.468605 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=933) -1 -28.740272 18.404284 -0.544801 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=933) -1 -28.013830 17.734051 -0.594815 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=933) -1 -28.497496 18.838582 0.302846 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=934) -1 0.417972 -3.226872 -9.389150 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=934) -1 0.564570 -4.074531 -8.923591 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=934) -1 1.080957 -2.661531 -8.934784 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=935) -1 -9.270671 22.317349 -12.920335 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=935) -1 -8.792760 22.676512 -12.140341 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=935) -1 -10.107785 22.032630 -12.497934 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=936) -1 -25.879888 0.936728 7.097453 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=936) -1 -26.070151 1.285270 6.207870 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=936) -1 -26.087518 -0.014719 6.961982 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=937) -1 21.483154 15.135025 -1.888339 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=937) -1 20.661520 15.672318 -1.965575 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=937) -1 21.777530 15.377054 -0.998555 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=938) -1 -28.324263 -23.480330 -3.587469 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=938) -1 -28.925481 -23.991616 -4.183643 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=938) -1 -28.993713 -22.885322 -3.170032 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=939) -1 24.296430 -0.939039 -12.621158 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=939) -1 24.963936 -1.295803 -12.006690 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=939) -1 23.472195 -1.288070 -12.219411 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=940) -1 23.746798 12.220823 12.067726 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=940) -1 22.771591 12.187869 12.249689 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=940) -1 23.770031 13.095052 11.601818 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=941) -1 3.236326 -1.939859 11.889240 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=941) -1 2.451209 -1.417285 11.605045 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=941) -1 3.603022 -2.177128 11.010564 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=942) -1 -25.965225 4.662843 -6.678130 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=942) -1 -25.203416 4.031797 -6.729685 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=942) -1 -26.676558 4.018932 -6.442820 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=943) -1 23.415849 16.187900 13.071895 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=943) -1 24.309498 15.766012 13.156803 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=943) -1 23.620069 17.084394 13.374437 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=944) -1 -3.410060 4.776728 16.628801 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=944) -1 -3.767689 3.860346 16.674518 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=944) -1 -2.602158 4.589808 16.078974 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=945) -1 -9.614253 -14.859293 -11.816243 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=945) -1 -9.172058 -15.007109 -10.949251 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=945) -1 -10.510546 -15.208443 -11.599057 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=946) -1 14.489883 6.279560 15.466160 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=946) -1 14.102971 5.435033 15.141583 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=946) -1 15.097619 6.482379 14.731877 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=947) -1 -4.807936 -4.074839 -10.800336 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=947) -1 -3.834338 -3.980928 -10.944549 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=947) -1 -5.043015 -3.111756 -10.754654 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=948) -1 -17.198812 1.719569 -17.227558 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=948) -1 -18.165947 1.732660 -17.113296 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=948) -1 -16.970442 2.630322 -16.932177 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=949) -1 22.296081 11.593676 -0.510927 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=949) -1 22.714023 11.789534 0.372684 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=949) -1 22.756160 10.727662 -0.684602 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=950) -1 -3.201381 -16.904200 -13.084641 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=950) -1 -2.632336 -16.689761 -12.309939 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=950) -1 -2.702884 -17.627379 -13.487135 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=951) -1 -24.066237 -5.390056 1.018276 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=951) -1 -24.096346 -4.621845 1.633221 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=951) -1 -23.189478 -5.756319 1.249789 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=952) -1 -8.496664 10.261612 -7.028447 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=952) -1 -7.687985 10.439174 -6.487935 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=952) -1 -8.167787 9.525614 -7.580826 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=953) -1 -21.190927 11.597460 -8.642368 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=953) -1 -21.365529 10.720246 -9.072600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=953) -1 -21.891319 11.573954 -7.952539 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=954) -1 27.199677 -13.860535 -7.934989 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=954) -1 27.650196 -13.487402 -8.736428 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=954) -1 26.579503 -14.478232 -8.396856 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=955) -1 -12.246732 -19.254334 14.337211 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=955) -1 -11.989961 -20.046558 13.803598 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=955) -1 -11.915253 -18.554597 13.711997 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=956) -1 20.730792 -16.977935 -11.355956 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=956) -1 19.894561 -16.560964 -11.718621 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=956) -1 20.978288 -17.480346 -12.175857 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=957) -1 3.381319 9.868338 -0.178063 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=957) -1 4.286966 9.565435 0.055210 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=957) -1 3.480066 9.945570 -1.151110 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=958) -1 26.762627 -11.181782 -1.380944 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=958) -1 26.602298 -12.082903 -1.068515 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=958) -1 26.127390 -11.133138 -2.133819 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=959) -1 -3.730779 -17.036971 9.920469 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=959) -1 -4.195540 -16.800102 10.764287 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=959) -1 -4.539698 -17.119834 9.337941 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=960) -1 3.784846 3.849944 -9.286642 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=960) -1 4.755444 3.727303 -9.379637 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=960) -1 3.697837 3.862600 -8.313375 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=961) -1 29.220624 -10.345500 -4.130288 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=961) -1 28.301772 -9.982251 -4.219504 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=961) -1 29.156902 -11.043703 -4.831613 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=962) -1 25.556315 10.132817 -10.918433 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=962) -1 24.792271 9.679540 -11.355722 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=962) -1 25.169450 11.042169 -10.856362 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=963) -1 -10.061658 -23.141779 -3.392226 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=963) -1 -9.134097 -22.821168 -3.348467 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=963) -1 -9.979349 -23.940004 -2.806706 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=964) -1 7.601649 4.514317 12.214948 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=964) -1 8.509286 4.658169 11.815396 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=964) -1 7.778108 4.960799 13.083309 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=965) -1 -20.437523 21.504817 0.900958 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=965) -1 -20.893022 21.654297 1.760617 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=965) -1 -19.577501 21.155224 1.219221 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=966) -1 -8.182521 -9.315158 -12.930040 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=966) -1 -7.595643 -8.513887 -12.903085 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=966) -1 -7.482973 -9.988994 -12.701758 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=967) -1 -6.663445 -17.584165 -3.779131 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=967) -1 -7.143739 -18.121768 -4.468092 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=967) -1 -7.332716 -16.865803 -3.676960 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=968) -1 -14.763248 4.266868 -13.944082 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=968) -1 -14.450051 3.333251 -13.975567 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=968) -1 -13.900454 4.731687 -13.982535 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=969) -1 -25.283264 18.107804 2.714213 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=969) -1 -25.206270 17.467011 3.466503 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=969) -1 -25.286363 17.456614 1.969674 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=970) -1 -10.294091 -25.393772 -2.026005 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=970) -1 -10.704498 -25.463393 -1.133992 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=970) -1 -10.965477 -25.886614 -2.551332 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=971) -1 1.144440 -15.668575 8.518575 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=971) -1 1.341570 -15.858071 7.573846 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=971) -1 0.211477 -15.983230 8.558653 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=972) -1 -9.289096 -14.853880 13.021320 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=972) -1 -9.603840 -15.342319 13.810095 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=972) -1 -8.494177 -15.402017 12.800551 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=973) -1 -15.591518 1.805507 18.370797 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=973) -1 -15.802159 0.881991 18.096793 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=973) -1 -15.407081 1.647843 19.327170 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=974) -1 32.221440 2.210934 9.125522 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=974) -1 31.911560 1.276088 9.073323 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=974) -1 31.584611 2.610984 8.470739 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=975) -1 3.647871 9.968564 -2.979271 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=975) -1 3.227838 10.725439 -3.451481 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=975) -1 2.862514 9.382233 -2.880810 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=976) -1 -15.248570 13.174276 15.108946 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=976) -1 -16.008158 12.691986 14.700164 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=976) -1 -15.625148 14.092719 15.062594 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=977) -1 36.617158 4.938504 1.984899 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=977) -1 36.515112 5.913555 2.060077 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=977) -1 36.087221 4.780134 1.167944 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=978) -1 -18.849366 4.157551 12.503165 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=978) -1 -18.135676 3.718450 11.975007 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=978) -1 -19.615421 3.966601 11.913183 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=979) -1 -14.291018 1.439669 20.742248 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=979) -1 -13.694316 2.177067 20.988196 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=979) -1 -13.634968 0.769088 20.465909 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=980) -1 -6.772853 -2.659195 -14.344481 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=980) -1 -6.328566 -2.467811 -15.184324 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=980) -1 -6.660979 -1.792222 -13.882287 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=981) -1 -28.082732 -18.065733 -7.287720 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=981) -1 -27.179483 -17.808260 -7.590094 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=981) -1 -28.599204 -17.322529 -7.684574 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=982) -1 23.550761 14.683722 -9.245925 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=982) -1 23.679732 14.842037 -8.285974 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=982) -1 22.591722 14.908460 -9.324328 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=983) -1 35.711903 -0.022830 3.921799 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=983) -1 35.582799 -0.001360 2.937887 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=983) -1 36.002879 0.912707 4.044001 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=984) -1 -19.605257 30.076501 -5.912583 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=984) -1 -18.643269 30.308646 -5.793088 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=984) -1 -19.903396 30.865427 -6.391554 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=985) -1 -1.133008 9.868944 -2.239628 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=985) -1 -1.011111 9.462712 -3.122220 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=985) -1 -0.874474 9.115580 -1.664149 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=986) -1 -26.202283 -3.163950 -12.223957 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=986) -1 -26.745908 -2.972689 -11.434495 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=986) -1 -25.951666 -4.104377 -12.017754 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=987) -1 6.593812 -10.022433 3.942866 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=987) -1 6.235355 -9.129670 3.722251 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=987) -1 7.479429 -9.744798 4.285859 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=988) -1 7.852783 1.055770 -14.975033 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=988) -1 8.353237 0.350467 -14.496226 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=988) -1 6.984821 0.965516 -14.502279 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=989) -1 -5.795714 8.653174 -7.145156 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=989) -1 -5.814533 9.455443 -6.585491 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=989) -1 -4.850925 8.403206 -7.065394 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=990) -1 -5.781155 -13.163783 -13.935947 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=990) -1 -6.750281 -13.188279 -13.700754 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=990) -1 -5.857863 -13.028149 -14.895156 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=991) -1 17.590002 4.789559 -19.702218 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=991) -1 17.397508 5.209224 -18.823243 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=991) -1 18.340278 5.336096 -19.985618 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=992) -1 -10.339613 17.695340 -7.064835 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=992) -1 -11.220560 18.041090 -6.793261 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=992) -1 -10.440776 16.756760 -6.758023 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=993) -1 22.975752 10.812493 6.330246 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=993) -1 23.761930 11.402220 6.390748 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=993) -1 23.445306 9.965969 6.093386 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=994) -1 29.762620 -3.892408 12.339176 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=994) -1 29.543932 -3.329678 13.121385 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=994) -1 30.477857 -3.332181 11.948288 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=995) -1 13.368116 7.764974 12.029966 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=995) -1 13.785292 8.556533 12.447181 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=995) -1 14.095863 7.111086 12.182527 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=996) -1 5.628805 3.443790 -12.718435 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=996) -1 5.655088 2.494755 -12.993465 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=996) -1 6.334530 3.791002 -13.317476 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=997) -1 -16.160855 15.208351 -12.618367 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=997) -1 -15.470646 14.768310 -12.055029 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=997) -1 -16.551832 14.423884 -13.039036 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=998) -1 -12.455641 10.958364 5.458125 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=998) -1 -12.190233 10.278437 6.132126 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=998) -1 -12.295361 10.401831 4.646818 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=999) -1 -23.468671 11.161060 9.817608 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=999) -1 -23.241463 10.454565 10.457614 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=999) -1 -23.017767 10.788674 9.014860 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1000) -1 -2.883906 -6.484693 -8.559243 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1000) -1 -2.085611 -6.950144 -8.221380 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1000) -1 -2.913893 -5.736376 -7.915063 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1002) -1 -19.873492 1.635617 -16.120192 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1002) -1 -20.052529 0.670443 -16.274482 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1002) -1 -19.348378 1.538255 -15.273769 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1003) -1 -20.609163 -5.271038 -14.126496 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1003) -1 -20.017590 -5.342232 -13.342361 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1003) -1 -20.018045 -4.731822 -14.711947 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1004) -1 -8.636342 -15.341584 -9.280675 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1004) -1 -9.345850 -14.704211 -9.018303 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1004) -1 -9.085224 -16.182122 -9.037719 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1005) -1 10.843568 5.911379 8.976956 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1005) -1 10.041912 5.960589 8.417629 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1005) -1 11.123602 4.979685 8.782130 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1006) -1 -24.736595 -1.404778 0.659158 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1006) -1 -25.451913 -0.822076 0.289212 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1006) -1 -24.819868 -2.155395 0.021153 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1007) -1 -21.164307 8.835781 2.695377 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1007) -1 -21.557320 8.145839 3.288914 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1007) -1 -20.392770 9.091575 3.251079 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1008) -1 13.053181 -15.704665 2.108325 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1008) -1 13.569663 -15.028459 1.617228 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1008) -1 12.142122 -15.354192 1.967629 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1009) -1 -0.760774 -7.084486 18.598772 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1009) -1 -1.343959 -6.308085 18.804680 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1009) -1 -1.334290 -7.524959 17.923183 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1010) -1 -18.779571 -7.452697 16.004370 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1010) -1 -18.597506 -7.161581 15.072847 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1010) -1 -18.242470 -8.284372 15.996859 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1011) -1 -25.930308 -20.298837 -9.166394 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1011) -1 -25.756480 -19.365593 -8.896722 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1011) -1 -26.569612 -20.553760 -8.464304 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1012) -1 -27.112600 -2.619086 -9.641576 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1012) -1 -26.191368 -2.952862 -9.508560 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1012) -1 -27.367853 -2.522191 -8.682594 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1013) -1 4.649384 -7.179552 -1.646503 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1013) -1 5.406329 -6.598976 -1.395647 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1013) -1 4.090479 -6.496202 -2.102888 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1014) -1 -20.410004 -0.982847 -16.235811 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1014) -1 -20.936997 -1.267776 -15.449941 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1014) -1 -20.683150 -1.679960 -16.873073 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1015) -1 13.494355 0.973289 -19.015878 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1015) -1 12.674095 0.801887 -18.485739 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1015) -1 14.073056 0.283316 -18.583655 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1016) -1 36.117043 2.615382 3.221793 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1016) -1 36.408141 3.467181 2.803058 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1016) -1 35.973163 2.085425 2.405790 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1017) -1 20.916426 7.905221 -12.481138 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1017) -1 21.008617 6.924389 -12.431324 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1017) -1 20.457397 7.972038 -13.356421 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1018) -1 -2.638899 -16.663142 13.464152 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1018) -1 -2.576312 -17.651184 13.368106 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1018) -1 -3.523017 -16.543405 13.024120 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1019) -1 -22.373623 7.746736 -4.333095 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1019) -1 -21.730016 7.090374 -4.678682 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1019) -1 -23.191420 7.196145 -4.347165 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1020) -1 23.282622 11.957527 1.919239 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1020) -1 22.674334 11.924132 2.700531 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1020) -1 24.136765 11.843483 2.355125 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1021) -1 9.238469 -4.378321 -14.885098 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1021) -1 10.180474 -4.301816 -14.620501 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1021) -1 8.893259 -4.915124 -14.137743 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1022) -1 19.476860 -14.130548 9.830483 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1022) -1 20.409272 -14.392930 10.010736 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1022) -1 19.459479 -14.263367 8.855687 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1023) -1 -5.590018 3.257398 -10.997993 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1023) -1 -4.718503 3.478188 -11.424873 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1023) -1 -5.356978 2.348574 -10.681889 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1024) -1 20.630799 15.928051 13.673544 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1024) -1 21.591786 15.967249 13.498468 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1024) -1 20.285627 16.272560 12.816159 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1025) -1 21.674126 -14.189939 1.500348 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1025) -1 21.551050 -13.788065 0.630122 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1025) -1 20.747675 -14.466914 1.709661 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1026) -1 14.900291 -4.683209 15.734374 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1026) -1 15.719503 -5.042459 15.335198 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1026) -1 14.681027 -3.976962 15.088006 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1027) -1 12.693276 13.535383 14.115517 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1027) -1 13.348079 13.128263 13.493507 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1027) -1 11.874143 13.099080 13.781253 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1028) -1 -15.454939 15.942276 6.445646 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1028) -1 -16.044829 15.270953 6.870103 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1028) -1 -15.101513 15.383873 5.708363 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1029) -1 1.785644 7.671466 3.971143 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1029) -1 2.396389 7.640507 4.737795 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1029) -1 1.956436 6.786291 3.581389 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1030) -1 -18.088088 25.497401 -1.133312 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1030) -1 -18.785230 25.877153 -1.723225 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1030) -1 -18.666647 24.923194 -0.570894 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1031) -1 17.415908 10.737646 13.247982 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1031) -1 18.371173 10.494348 13.293849 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1031) -1 17.452089 11.305082 12.434687 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1032) -1 -17.720918 -14.500743 -16.356106 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1032) -1 -18.429764 -14.987962 -15.874654 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1032) -1 -17.709529 -13.673375 -15.819142 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1033) -1 -28.232205 -20.629699 -0.972403 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1033) -1 -27.592550 -20.301646 -1.648024 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1033) -1 -27.643005 -21.283210 -0.511381 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1034) -1 -22.308470 2.428511 -14.896480 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1034) -1 -22.557682 1.643326 -14.370592 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1034) -1 -21.542802 2.082808 -15.394646 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1035) -1 0.261330 -15.270014 -2.402814 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1035) -1 0.025183 -15.828690 -1.617725 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1035) -1 -0.411771 -15.617546 -3.036898 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1036) -1 -15.867115 27.306506 3.659411 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1036) -1 -15.098771 27.180332 3.058645 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1036) -1 -15.391394 27.295401 4.521841 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1037) -1 5.897029 5.713978 6.468500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1037) -1 6.821769 5.939667 6.688582 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1037) -1 6.036968 5.121942 5.693223 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1038) -1 -11.800140 26.053277 -11.271559 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1038) -1 -12.142932 26.965131 -11.260805 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1038) -1 -10.852508 26.221896 -11.057991 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1039) -1 12.340268 11.789805 -13.403449 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1039) -1 12.083515 10.840723 -13.307384 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1039) -1 11.439802 12.175030 -13.550988 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1040) -1 12.473209 3.334364 -20.000848 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1040) -1 12.916827 2.471144 -19.817806 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1040) -1 11.737793 3.272417 -19.350273 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1041) -1 -26.416355 0.140646 4.254321 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1041) -1 -25.424752 0.148056 4.239297 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1041) -1 -26.556574 -0.605984 4.876388 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1042) -1 -10.189698 -18.346333 -13.808748 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1042) -1 -9.807243 -19.203418 -13.577186 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1042) -1 -9.420721 -17.751593 -13.620159 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1043) -1 -10.224481 8.677153 15.432397 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1043) -1 -10.162799 7.893250 16.024849 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1043) -1 -10.696354 8.258075 14.667358 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1044) -1 -25.223491 12.205315 7.981998 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1044) -1 -25.067895 11.438541 7.388817 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1044) -1 -24.755295 11.892562 8.787373 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1045) -1 -22.791919 -5.976088 -12.595727 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1045) -1 -22.055621 -5.781023 -13.220955 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1045) -1 -22.383283 -6.720821 -12.097092 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1046) -1 -30.085822 -16.774049 -4.029768 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1046) -1 -30.355704 -15.835441 -4.156107 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1046) -1 -30.656539 -17.000373 -3.255726 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1047) -1 -8.332722 15.539825 3.211176 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1047) -1 -7.598211 14.892295 3.268110 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1047) -1 -8.685196 15.321842 2.321401 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1048) -1 -10.165994 -10.799648 -13.864455 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1048) -1 -10.792586 -10.539782 -13.153204 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1048) -1 -9.398133 -10.219020 -13.604946 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1049) -1 -1.503324 12.256614 7.188454 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1049) -1 -2.018231 11.740610 7.840746 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1049) -1 -0.606755 11.882861 7.331822 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1050) -1 13.542188 18.358270 -5.557121 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1050) -1 13.624984 18.626134 -4.613314 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1050) -1 14.006350 17.489476 -5.515702 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1051) -1 -23.276475 3.885909 2.847265 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1051) -1 -23.794055 3.472268 3.571492 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1051) -1 -23.747824 4.748226 2.777435 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1052) -1 -27.047651 -17.585270 -15.011966 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1052) -1 -27.286366 -16.639744 -14.912541 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1052) -1 -26.091310 -17.494811 -15.228247 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1053) -1 -7.790541 27.414013 -1.790270 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1053) -1 -8.120130 26.534385 -2.080261 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1053) -1 -7.607147 27.221453 -0.846559 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1054) -1 18.774517 -0.066020 -18.521052 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1054) -1 19.724500 -0.042176 -18.259553 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1054) -1 18.764255 0.683278 -19.160749 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1055) -1 -24.519856 16.224540 0.951382 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1055) -1 -24.542116 15.402698 1.499140 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1055) -1 -23.543927 16.359695 0.913403 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1056) -1 11.851161 -3.670377 -14.293656 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1056) -1 11.734580 -2.904209 -14.898500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1056) -1 12.739081 -3.985387 -14.606032 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1057) -1 23.481811 14.634967 10.820189 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1057) -1 22.525018 14.586378 10.548513 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1057) -1 23.388428 15.294655 11.549585 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1058) -1 29.396185 9.648031 -10.563753 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1058) -1 30.075684 9.368620 -11.211981 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1058) -1 28.699435 8.983700 -10.760983 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1059) -1 -5.277245 2.785285 21.176083 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1059) -1 -5.519913 3.619095 20.699473 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1059) -1 -4.311961 2.826772 21.109479 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1060) -1 -18.963394 10.029413 14.636000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1060) -1 -19.210581 10.150558 15.565885 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1060) -1 -18.630710 9.096252 14.665638 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1061) -1 -24.974751 4.771826 -9.499301 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1061) -1 -25.428431 4.983768 -8.657748 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1061) -1 -25.100066 3.785517 -9.499760 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1062) -1 9.132529 -14.147754 8.153713 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1062) -1 9.572198 -13.434634 7.635214 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1062) -1 9.940713 -14.681702 8.380730 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1063) -1 21.276592 -0.308252 -17.503540 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1063) -1 20.953428 -1.196447 -17.213518 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1063) -1 21.647525 0.008388 -16.649449 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1064) -1 35.919884 -1.704841 -0.041552 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1064) -1 36.602699 -2.418946 0.034496 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1064) -1 35.372344 -2.102245 -0.764940 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1065) -1 -17.812911 -18.288748 -15.257741 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1065) -1 -17.074691 -18.845884 -14.918516 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1065) -1 -17.311832 -17.734695 -15.900381 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1066) -1 -7.905792 18.850309 -1.710387 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1066) -1 -7.796683 17.942582 -1.328913 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1066) -1 -7.930000 19.370583 -0.875467 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1067) -1 16.414957 22.827473 3.680462 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1067) -1 16.623646 23.171489 2.800453 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1067) -1 16.658339 21.877098 3.566928 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1068) -1 2.276012 -10.507224 -1.923846 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1068) -1 3.183189 -10.398540 -1.562792 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1068) -1 2.137756 -11.466691 -1.744749 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1069) -1 -19.398070 4.237509 -15.202104 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1069) -1 -19.663181 3.515482 -15.818015 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1069) -1 -19.521753 3.754267 -14.346004 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1070) -1 9.336264 -5.534572 -10.102730 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1070) -1 10.279255 -5.477669 -9.832599 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1070) -1 9.162509 -6.481840 -9.896421 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1071) -1 -8.669535 23.926652 1.167925 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1071) -1 -8.526254 23.502508 0.294516 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1071) -1 -8.309508 23.212519 1.752698 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1072) -1 -13.475230 -7.814128 -14.860327 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1072) -1 -13.868859 -8.525642 -14.302068 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1072) -1 -12.816972 -8.367736 -15.356448 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1073) -1 -15.241202 12.676894 2.580813 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1073) -1 -14.789715 11.967881 2.049114 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1073) -1 -15.571939 13.229283 1.839382 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1074) -1 -11.515390 -19.200845 3.751537 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1074) -1 -11.861173 -20.051000 4.114396 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1074) -1 -11.106403 -18.843270 4.580309 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1075) -1 -19.128192 -3.596515 -15.673275 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1075) -1 -19.661628 -3.570259 -16.497585 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1075) -1 -18.992914 -2.644378 -15.521568 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1077) -1 28.780495 5.602484 13.620084 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1077) -1 28.588129 4.730230 13.211536 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1077) -1 29.528356 5.333328 14.212648 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1078) -1 -11.053401 -20.369887 9.452734 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1078) -1 -10.607498 -19.761757 10.095710 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1078) -1 -11.618034 -19.711497 8.985991 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1079) -1 24.388140 11.750922 -3.524687 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1079) -1 24.762587 12.421655 -4.150829 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1079) -1 23.494384 12.146208 -3.395029 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1080) -1 -23.027805 5.721270 -7.102868 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1080) -1 -23.256031 4.757003 -7.163455 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1080) -1 -23.596474 5.954862 -6.329658 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1081) -1 -8.028588 20.059178 -13.813128 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1081) -1 -7.647608 20.254867 -14.676413 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1081) -1 -8.502004 20.895610 -13.611843 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1082) -1 -27.661113 -18.741549 -10.795808 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1082) -1 -28.011833 -19.004189 -11.675417 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1082) -1 -27.128056 -19.519154 -10.564861 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1083) -1 -6.072956 23.570457 -7.717975 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1083) -1 -6.272736 23.187563 -6.841807 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1083) -1 -6.033346 22.764569 -8.270639 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1084) -1 14.839801 -0.873106 -17.608637 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1084) -1 14.762362 -1.205485 -16.688581 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1084) -1 15.653431 -1.375311 -17.880086 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1085) -1 -4.418289 -5.151196 21.273671 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1085) -1 -5.239977 -4.720850 21.606221 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1085) -1 -3.866406 -4.348937 21.130875 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1086) -1 6.426557 -9.430167 1.131938 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1086) -1 6.255411 -8.672232 1.744640 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1086) -1 6.682773 -10.109024 1.789309 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1087) -1 0.241607 9.390335 2.650339 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1087) -1 0.839357 8.721825 3.085606 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1087) -1 0.342303 10.112435 3.331457 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1089) -1 -17.272063 -22.193028 -0.536266 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1089) -1 -16.848621 -21.338991 -0.731390 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1089) -1 -16.520637 -22.654971 -0.087135 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1090) -1 -20.486026 8.709777 6.159754 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1090) -1 -21.015977 8.117004 5.562952 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1090) -1 -20.202997 8.041443 6.824196 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1091) -1 -26.596991 -19.637922 -2.934573 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1091) -1 -27.048757 -18.754600 -2.994436 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1091) -1 -25.758879 -19.335658 -2.501460 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1092) -1 -24.046327 -0.849512 -10.935445 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1092) -1 -24.081752 -1.728248 -10.501091 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1092) -1 -24.935170 -0.510148 -10.717641 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1093) -1 -15.132332 13.783648 -8.750962 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1093) -1 -16.049296 13.405253 -8.849251 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1093) -1 -14.907258 13.858812 -9.708825 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1094) -1 -13.066365 19.540701 -13.798305 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1094) -1 -12.184682 19.098271 -13.890887 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1094) -1 -13.615737 18.729385 -13.642265 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1095) -1 -27.536922 2.567822 -5.984557 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1095) -1 -28.336729 2.222438 -5.532706 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1095) -1 -27.437167 1.868051 -6.678532 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1096) -1 -22.901873 2.453086 10.942294 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1096) -1 -23.432510 2.447412 10.098991 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1096) -1 -23.510805 1.975989 11.523415 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1097) -1 27.366215 12.062892 -6.604186 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1097) -1 27.416941 11.621843 -7.487782 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1097) -1 27.384408 11.244181 -6.037814 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1098) -1 25.150181 -6.459490 -18.346693 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1098) -1 24.533767 -6.953416 -17.768825 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1098) -1 25.065670 -5.560664 -17.977031 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1099) -1 -23.123212 -25.251382 -6.579084 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1099) -1 -22.243995 -25.167246 -7.018779 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1099) -1 -23.061441 -24.491317 -5.956596 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1100) -1 -17.062074 30.810931 -5.756660 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1100) -1 -16.312458 31.186193 -5.238856 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1100) -1 -16.560944 30.482294 -6.541202 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1101) -1 -13.680498 -17.607934 19.154879 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1101) -1 -13.122728 -18.193127 19.680225 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1101) -1 -13.448069 -17.893602 18.240489 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1102) -1 -2.279688 -8.505958 20.437846 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1102) -1 -1.886859 -9.382835 20.345127 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1102) -1 -1.657838 -7.959293 19.912823 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1103) -1 25.491560 8.036676 -5.547551 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1103) -1 24.819899 8.338492 -4.901281 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1103) -1 25.199082 7.119142 -5.702467 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1104) -1 -10.033053 -16.673041 14.877268 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1104) -1 -10.466020 -17.093544 14.084105 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1104) -1 -9.172798 -17.153634 14.851591 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1105) -1 -29.131763 0.380058 -5.235945 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1105) -1 -28.703834 0.349523 -6.122868 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1105) -1 -29.603194 -0.495051 -5.274290 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1106) -1 -22.785910 11.989283 -6.417835 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1106) -1 -23.680831 12.321296 -6.269573 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1106) -1 -22.248518 12.788710 -6.223474 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1107) -1 35.072441 -0.551261 8.756792 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1107) -1 34.767085 0.150221 8.135605 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1107) -1 35.127729 -1.308380 8.127163 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1108) -1 27.244527 4.858656 -13.702161 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1108) -1 27.198760 4.134811 -14.349036 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1108) -1 26.393347 4.673377 -13.202653 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1109) -1 8.526151 -14.463397 -4.895391 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1109) -1 8.683010 -15.146205 -5.591763 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1109) -1 7.557384 -14.448495 -4.874874 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1110) -1 -20.946784 14.595198 -0.297403 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1110) -1 -20.665408 14.557406 -1.247147 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1110) -1 -20.046542 14.611873 0.112076 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1111) -1 -10.816446 19.353259 4.058907 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1111) -1 -10.757094 18.552508 3.507197 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1111) -1 -11.709916 19.674060 3.829541 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1112) -1 23.010275 -16.783765 7.728548 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1112) -1 22.667243 -16.482139 6.862470 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1112) -1 23.943445 -16.923874 7.527694 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1113) -1 -13.669710 27.012207 5.392867 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1113) -1 -13.473173 26.081618 5.671551 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1113) -1 -13.310757 27.496465 6.152491 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1114) -1 -17.402910 -22.207027 5.653979 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1114) -1 -17.808400 -21.692710 4.917088 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1114) -1 -18.072224 -22.884054 5.800602 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1115) -1 17.147311 -15.372349 7.591823 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1115) -1 18.089168 -15.257944 7.336993 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1115) -1 16.893463 -16.100787 6.975641 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1116) -1 15.991513 17.864465 -7.203600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1116) -1 15.270028 18.478846 -6.975617 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1116) -1 15.675948 17.050416 -6.751943 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1117) -1 -7.208697 10.087278 12.634428 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1117) -1 -7.209307 9.685134 13.529200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1117) -1 -7.093678 9.288350 12.080866 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1118) -1 10.483278 1.222684 12.147358 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1118) -1 9.558492 1.494431 12.344062 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1118) -1 10.298366 0.400090 11.626695 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1119) -1 -30.922942 -14.153986 -4.025064 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1119) -1 -31.437829 -13.338540 -4.140825 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1119) -1 -30.441289 -14.161124 -4.902959 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1120) -1 15.886193 -17.854574 0.518721 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1120) -1 16.646471 -17.270991 0.759839 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1120) -1 16.235287 -18.200724 -0.342829 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1121) -1 30.743640 6.131021 9.334635 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1121) -1 30.222148 6.568253 10.055015 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1121) -1 30.009753 5.891081 8.727974 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1122) -1 -11.648660 1.144961 -15.043666 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1122) -1 -11.625141 0.169130 -14.955634 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1122) -1 -12.498671 1.323664 -14.561651 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1123) -1 7.794891 -7.595950 -0.427524 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1123) -1 8.112063 -7.965912 -1.283334 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1123) -1 7.461312 -8.408151 0.000697 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1124) -1 33.574758 1.917856 -0.249916 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1124) -1 32.965553 1.411801 0.343527 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1124) -1 32.912354 2.232780 -0.912197 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1125) -1 -16.814992 27.722876 -0.175056 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1125) -1 -17.117583 26.821193 -0.434054 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1125) -1 -17.575859 27.984057 0.397738 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1126) -1 -8.020344 3.739083 13.626168 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1126) -1 -7.494782 2.946862 13.355215 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1126) -1 -7.463486 4.019824 14.399276 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1127) -1 6.296261 -2.104069 -8.934727 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1127) -1 6.122656 -2.923493 -8.387638 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1127) -1 5.694454 -1.490593 -8.447815 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1128) -1 33.811412 2.038095 11.572287 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1128) -1 33.415980 2.096186 10.680905 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1128) -1 34.420913 1.278632 11.448539 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1129) -1 28.939086 -1.932814 16.845149 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1129) -1 29.065853 -2.034368 15.863258 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1129) -1 28.012997 -1.612998 16.835369 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1130) -1 -7.047664 12.566199 -3.397990 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1130) -1 -7.086548 13.505772 -3.153948 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1130) -1 -6.237268 12.297064 -2.887044 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1131) -1 1.624552 -14.395321 -4.700282 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1131) -1 1.232670 -14.747722 -3.869220 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1131) -1 2.523530 -14.159054 -4.360849 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1132) -1 20.518247 9.553289 -10.447428 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1132) -1 20.618427 8.899739 -11.188684 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1132) -1 21.060944 9.092817 -9.768146 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1133) -1 -20.215979 6.529813 10.382671 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1133) -1 -20.057892 6.588145 9.403673 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1133) -1 -20.492799 5.588308 10.435639 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1134) -1 -28.188397 -5.149600 -8.758874 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1134) -1 -27.683106 -4.750352 -8.006752 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1134) -1 -28.139555 -4.422987 -9.401381 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1136) -1 -9.812852 14.781335 5.297420 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1136) -1 -9.289682 15.207704 4.572410 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1136) -1 -10.594847 15.375260 5.302114 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1137) -1 -4.267765 -9.830812 -10.516900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1137) -1 -4.211597 -8.884475 -10.761857 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1137) -1 -4.595591 -9.716615 -9.576321 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1138) -1 -28.542565 -26.946890 -5.095783 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1138) -1 -28.057729 -27.662766 -5.554317 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1138) -1 -27.975473 -26.853674 -4.294167 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1139) -1 24.083462 12.453195 -10.769143 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1139) -1 23.113292 12.313536 -10.585086 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1139) -1 24.176969 13.326502 -10.306809 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1140) -1 -16.091729 18.489575 5.990591 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1140) -1 -15.960183 17.543845 6.257450 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1140) -1 -15.302708 18.590843 5.413860 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1141) -1 -11.861660 11.478235 -7.751896 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1141) -1 -11.971735 11.032016 -8.625436 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1141) -1 -11.720721 10.677179 -7.188322 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1142) -1 2.042067 -9.833150 3.680726 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1142) -1 1.559778 -9.609298 4.496489 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1142) -1 2.037526 -10.811225 3.717681 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1143) -1 -7.896523 13.634956 15.887249 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1143) -1 -7.386142 12.922464 16.363003 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1143) -1 -7.916183 13.207883 14.994118 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1144) -1 27.037430 -12.445801 -12.873232 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1144) -1 27.087447 -11.649027 -13.455181 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1144) -1 26.398211 -12.984055 -13.387870 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1145) -1 -14.476475 -25.481357 -0.428693 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1145) -1 -14.813512 -24.688752 0.050718 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1145) -1 -14.588816 -25.156236 -1.359271 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1146) -1 14.337668 -4.289542 -15.013964 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1146) -1 15.093462 -4.858181 -15.288318 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1146) -1 14.745207 -3.404609 -15.121045 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1147) -1 -15.245809 21.126176 -13.983100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1147) -1 -15.788671 20.458649 -13.489049 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1147) -1 -14.436123 20.570565 -14.122195 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1148) -1 -6.277357 -19.717800 9.308342 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1148) -1 -6.768032 -19.409496 10.111011 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1148) -1 -6.078067 -18.824262 8.913337 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1149) -1 15.172234 20.219726 1.059530 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1149) -1 15.016729 20.567704 0.141405 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1149) -1 15.676364 19.394034 0.796319 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1150) -1 18.990433 -8.431541 14.977162 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1150) -1 19.290707 -7.579653 14.563626 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1150) -1 18.761665 -8.934640 14.182570 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1151) -1 21.461871 5.259414 -12.114313 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1151) -1 21.242217 5.306667 -11.155443 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1151) -1 21.502353 4.300402 -12.246711 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1152) -1 10.529932 10.296802 14.893460 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1152) -1 11.470545 10.355029 15.180132 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1152) -1 10.332355 9.374822 15.117942 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1153) -1 -6.695652 -12.088201 18.692480 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1153) -1 -7.073112 -12.512616 17.872949 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1153) -1 -6.632730 -12.911975 19.244341 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1154) -1 -5.637997 -16.547685 -11.831736 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1154) -1 -5.200206 -16.856101 -10.996581 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1154) -1 -4.912183 -16.754273 -12.463966 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1155) -1 1.831518 -16.136562 5.895582 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1155) -1 2.542681 -15.500289 5.622481 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1155) -1 2.265555 -16.976249 5.668992 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1156) -1 34.856477 4.315285 0.024422 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1156) -1 33.991113 4.757436 0.178402 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1156) -1 34.542013 3.398771 -0.147806 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1157) -1 10.596654 -14.599943 1.747700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1157) -1 10.399076 -13.777949 1.253825 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1157) -1 10.322511 -14.321205 2.654897 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1158) -1 -4.742971 11.915807 -2.211408 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1158) -1 -4.105400 11.734827 -1.490507 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1158) -1 -4.453004 11.239311 -2.867583 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1159) -1 -2.917868 -19.309007 13.007100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1159) -1 -3.014172 -19.622760 12.075814 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1159) -1 -3.860182 -19.367262 13.288039 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1160) -1 -17.520725 -9.554078 12.542698 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1160) -1 -18.474046 -9.490842 12.260247 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1160) -1 -17.175428 -10.084310 11.793109 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1161) -1 -14.186556 13.978890 -11.294493 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1161) -1 -13.320938 14.392169 -11.080511 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1161) -1 -13.867995 13.086045 -11.585018 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1162) -1 -27.737058 -20.713408 -7.140319 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1162) -1 -27.870294 -19.731097 -7.177177 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1162) -1 -28.682722 -20.993444 -7.140400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1163) -1 29.422075 13.161825 0.744657 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1163) -1 30.114996 12.490910 0.555827 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1163) -1 29.946864 13.969731 0.790321 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1164) -1 8.140077 -3.919103 7.652977 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1164) -1 7.688511 -3.785124 6.778001 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1164) -1 9.064260 -3.707993 7.369613 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1165) -1 -18.410218 -20.897496 3.531171 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1165) -1 -18.935592 -20.058486 3.512116 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1165) -1 -18.783103 -21.312160 2.706214 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1166) -1 9.953049 14.617291 -11.286580 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1166) -1 9.979894 15.222901 -10.508798 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1166) -1 10.918389 14.392848 -11.336749 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1167) -1 -22.968804 -6.991576 9.995334 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1167) -1 -22.300708 -6.363940 9.613896 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1167) -1 -23.033183 -6.617927 10.893852 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1168) -1 25.459799 13.565217 -5.240660 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1168) -1 26.077978 13.161084 -5.888255 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1168) -1 25.014012 14.226195 -5.813365 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1169) -1 20.829712 -15.595313 -2.867923 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1169) -1 20.678168 -15.846134 -1.929133 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1169) -1 21.254158 -14.712047 -2.730471 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1170) -1 -18.539436 23.554193 2.594594 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1170) -1 -18.208547 22.661513 2.342427 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1170) -1 -19.049797 23.329922 3.400684 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1171) -1 21.473069 4.316585 14.133596 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1171) -1 20.804168 4.748341 13.559158 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1171) -1 22.276422 4.789049 13.860421 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1172) -1 0.334160 11.282373 4.504632 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1172) -1 0.613511 11.359873 5.437341 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1172) -1 -0.167448 12.104316 4.380522 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1173) -1 17.073019 7.514954 -15.068057 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1173) -1 18.009124 7.735795 -14.877923 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1173) -1 16.622869 8.231170 -14.569968 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1174) -1 31.453049 -1.997291 11.398055 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1174) -1 31.969567 -1.472207 12.051369 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1174) -1 31.515878 -1.416571 10.619237 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1175) -1 11.246989 3.313362 -17.544317 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1175) -1 11.361287 2.348102 -17.393980 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1175) -1 12.087298 3.649114 -17.158396 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1176) -1 18.533583 -16.111673 -12.571746 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1176) -1 18.568066 -16.114310 -13.560134 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1176) -1 17.568333 -16.192238 -12.433247 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1177) -1 -8.026590 -13.189330 16.673786 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1177) -1 -8.026637 -14.166219 16.770766 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1177) -1 -8.962745 -12.989801 16.877420 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1178) -1 34.345694 -6.803258 4.297856 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1178) -1 34.243665 -5.868795 4.007862 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1178) -1 34.143663 -6.718258 5.243910 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1179) -1 -29.090760 -4.350627 -4.342575 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1179) -1 -28.426948 -4.315566 -3.608900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1179) -1 -28.815117 -5.192332 -4.762887 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1180) -1 16.603115 -17.747642 -9.153179 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1180) -1 17.585049 -17.616926 -9.115193 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1180) -1 16.396691 -17.675681 -8.196031 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1181) -1 -8.068878 -15.872610 17.251074 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1181) -1 -8.978802 -16.208699 17.378305 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1181) -1 -7.766264 -16.451290 16.518280 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1182) -1 0.813536 -0.589803 13.936572 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1182) -1 -0.047008 -1.060022 13.845615 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1182) -1 0.986701 -0.393892 12.986104 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1183) -1 -14.580676 9.537385 -13.045675 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1183) -1 -15.373745 9.226578 -13.504313 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1183) -1 -14.205968 8.676444 -12.733382 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1184) -1 -16.663240 17.612281 10.476119 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1184) -1 -17.406194 17.312784 9.891942 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1184) -1 -17.027797 17.323507 11.344654 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1185) -1 -9.118089 -20.898880 -6.865909 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1185) -1 -9.830149 -21.506629 -7.173895 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1185) -1 -8.429994 -21.571132 -6.631926 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1186) -1 -4.177349 10.047674 -4.079925 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1186) -1 -4.049573 9.120003 -3.754272 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1186) -1 -3.370456 10.095908 -4.663684 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1187) -1 -7.391486 -22.673483 -5.825952 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1187) -1 -6.857997 -23.468303 -5.711011 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1187) -1 -7.412561 -22.323743 -4.904204 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1188) -1 -29.952951 20.048309 -2.199901 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1188) -1 -30.715052 19.526358 -2.492398 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1188) -1 -29.526903 19.392957 -1.581411 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1189) -1 -2.190667 -4.088613 -11.542512 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1189) -1 -2.433483 -4.672782 -12.303926 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1189) -1 -1.483976 -4.616227 -11.137747 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1190) -1 1.335835 -3.260461 -6.317503 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1190) -1 1.666396 -2.516144 -6.858021 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1190) -1 1.850498 -3.122868 -5.490937 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1191) -1 -3.535155 10.627590 8.307346 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1191) -1 -4.022965 10.008322 8.896651 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1191) -1 -4.274697 11.237611 8.068296 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1192) -1 25.125136 -8.585912 12.479074 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1192) -1 24.427163 -8.531089 13.178424 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1192) -1 25.452518 -7.657829 12.508183 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1193) -1 -22.747261 5.021175 -14.311137 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1193) -1 -22.646409 4.090607 -14.635257 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1193) -1 -23.193554 4.841880 -13.454913 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1194) -1 14.856775 -20.353759 -1.034120 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1194) -1 14.884736 -20.045200 -0.118938 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1194) -1 15.619725 -19.877391 -1.423330 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1195) -1 -24.559022 2.802411 4.977364 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1195) -1 -23.894508 3.014156 5.675583 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1195) -1 -24.276374 1.870650 4.777578 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1196) -1 -3.026098 3.319139 -11.886863 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1196) -1 -2.212119 3.751033 -12.186300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1196) -1 -2.694994 2.412810 -11.699476 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1197) -1 22.503107 -4.132469 -12.482638 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1197) -1 22.774993 -4.127315 -11.530268 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1197) -1 22.185182 -3.208118 -12.558558 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1198) -1 24.207811 -9.880755 3.409516 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1198) -1 24.057654 -10.381749 2.592898 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1198) -1 24.521183 -10.608334 4.004056 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1199) -1 29.817724 -7.189185 -0.351932 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1199) -1 29.439059 -8.057505 -0.636697 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1199) -1 30.771791 -7.375419 -0.544347 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1200) -1 -14.110832 17.064390 15.715079 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1200) -1 -13.209455 17.442314 15.684412 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1200) -1 -13.898356 16.177089 16.098306 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1201) -1 -23.398550 18.140656 5.941201 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1201) -1 -23.450537 17.557220 6.744968 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1201) -1 -23.917387 17.555052 5.325883 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1202) -1 22.205032 -14.800047 9.569500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1202) -1 22.237077 -14.372877 8.668349 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1202) -1 22.474931 -15.708310 9.299254 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1203) -1 21.498103 12.087568 -10.219019 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1203) -1 21.054094 11.215024 -10.307116 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1203) -1 20.757797 12.685222 -10.449049 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1204) -1 29.174663 2.341013 -5.972273 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1204) -1 29.391486 1.609905 -6.599026 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1204) -1 28.501084 2.817374 -6.507826 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1205) -1 22.279720 17.522342 -7.532511 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1205) -1 22.004273 18.444316 -7.297303 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1205) -1 21.399232 17.079610 -7.421760 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1206) -1 -15.961105 -0.769780 17.414142 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1206) -1 -16.347729 -0.406816 16.575838 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1206) -1 -16.600720 -1.523573 17.537357 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1207) -1 26.978559 -0.649410 -8.357451 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1207) -1 26.490927 -1.254397 -8.979847 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1207) -1 26.876010 0.187270 -8.901177 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1208) -1 -6.908312 -19.207668 0.443402 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1208) -1 -6.202821 -18.791599 0.987553 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1208) -1 -7.290824 -19.826213 1.104914 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1209) -1 -1.166077 -15.192093 15.148641 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1209) -1 -1.704594 -15.724151 14.503800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1209) -1 -1.102023 -15.831288 15.875509 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1210) -1 -19.326604 -4.923413 16.955899 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1210) -1 -20.245829 -5.105992 16.680276 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1210) -1 -18.923544 -5.806062 16.785353 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1211) -1 -11.786917 9.115729 3.674963 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1211) -1 -12.412949 8.810587 2.970243 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1211) -1 -10.991010 9.271674 3.124908 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1212) -1 24.961096 -11.187890 -3.421821 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1212) -1 24.755329 -12.013533 -3.933277 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1212) -1 24.030928 -10.903046 -3.238899 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1213) -1 21.932148 -0.078529 -14.838569 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1213) -1 22.151414 0.541670 -14.115722 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1213) -1 21.193155 -0.576444 -14.441040 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1214) -1 -7.656776 21.903295 2.678119 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1214) -1 -6.743481 21.706876 2.951825 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1214) -1 -8.136447 21.583678 3.494355 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1215) -1 27.726084 4.843056 -0.392702 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1215) -1 27.429404 5.026429 0.528185 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1215) -1 28.666055 4.597369 -0.207832 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1216) -1 6.292663 -3.413750 2.625959 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1216) -1 6.448543 -4.239064 2.107704 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1216) -1 5.455756 -3.114324 2.183703 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1217) -1 8.618313 -8.591814 -2.816665 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1217) -1 8.377996 -7.976496 -3.539127 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1217) -1 9.238010 -9.184380 -3.265489 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1218) -1 -4.393723 0.943011 -10.036646 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1218) -1 -3.509090 0.893036 -10.483737 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1218) -1 -4.095601 1.297607 -9.163471 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1219) -1 25.141558 -1.734445 -9.994667 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1219) -1 24.523150 -0.980757 -9.903130 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1219) -1 24.523806 -2.478633 -10.114561 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1220) -1 13.407397 -4.756603 17.981237 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1220) -1 12.798394 -4.118639 17.592707 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1220) -1 14.056570 -4.862033 17.244248 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1221) -1 -20.468354 -7.584735 7.610556 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1221) -1 -20.621026 -6.757240 8.125994 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1221) -1 -19.789746 -7.274452 6.980665 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1222) -1 -24.294418 -3.230384 6.256618 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1222) -1 -23.806413 -2.670186 5.592410 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1222) -1 -23.576100 -3.865125 6.471307 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1223) -1 27.572363 7.548740 -13.721204 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1223) -1 27.478596 6.577864 -13.886551 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1223) -1 26.793541 7.860414 -14.253297 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1224) -1 -15.633906 6.923341 13.384816 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1224) -1 -16.377782 6.971128 12.742149 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1224) -1 -15.548405 5.944170 13.456288 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1225) -1 15.482300 17.669575 6.709641 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1225) -1 15.398130 17.566408 5.727299 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1225) -1 15.606867 16.733107 6.961406 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1226) -1 -27.609994 0.227384 -2.967089 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1226) -1 -28.261808 0.316217 -3.701839 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1226) -1 -27.529222 -0.739752 -2.920130 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1227) -1 13.304226 -13.347099 7.960408 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1227) -1 14.298745 -13.384582 7.938834 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1227) -1 13.218585 -12.565640 8.567318 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1228) -1 -9.676517 -14.633013 20.731362 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1228) -1 -10.104216 -14.300497 21.529228 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1228) -1 -10.401194 -14.538503 20.072760 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1229) -1 -22.795933 -18.421924 3.470498 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1229) -1 -23.000020 -19.201058 4.010429 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1229) -1 -22.526969 -17.783712 4.176088 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1230) -1 13.263515 4.313819 14.035790 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1230) -1 12.846932 3.426948 14.119280 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1230) -1 12.489293 4.845982 13.762712 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1231) -1 -20.792292 26.135293 -8.609393 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1231) -1 -20.159533 25.400517 -8.783323 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1231) -1 -21.629251 25.684636 -8.862039 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1232) -1 24.889166 -12.680892 -7.066200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1232) -1 25.717908 -13.187604 -7.233179 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1232) -1 24.730328 -12.331870 -7.969123 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1233) -1 -24.594371 -8.125679 0.738352 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1233) -1 -24.718165 -7.149658 0.738364 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1233) -1 -23.651914 -8.162876 1.024128 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1234) -1 -11.613440 -10.017137 16.423574 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1234) -1 -11.908321 -9.431412 15.709408 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1234) -1 -11.277922 -9.352884 17.074082 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1235) -1 -14.474067 17.274678 -13.277980 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1235) -1 -15.129477 16.545913 -13.139505 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1235) -1 -13.646399 16.729564 -13.258845 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1236) -1 -22.656100 24.322382 -9.634488 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1236) -1 -23.461588 24.392612 -10.168430 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1236) -1 -22.078187 23.810683 -10.257882 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1237) -1 -16.712773 4.090505 -16.001847 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1237) -1 -16.112811 4.251289 -15.250736 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1237) -1 -17.574950 4.335431 -15.619103 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1238) -1 -13.150056 14.616511 16.420155 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1238) -1 -13.787248 13.933909 16.122209 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1238) -1 -12.326826 14.074151 16.458141 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1239) -1 8.237498 -1.403723 8.804336 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1239) -1 8.015459 -2.302301 8.473621 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1239) -1 8.090097 -0.884048 7.980155 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1240) -1 22.834947 1.372583 -12.569078 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1240) -1 23.449314 0.601398 -12.664755 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1240) -1 23.475066 2.004117 -12.143998 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1241) -1 5.730525 11.188854 -5.630385 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1241) -1 6.361970 11.544992 -4.952844 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1241) -1 6.289409 11.355032 -6.437237 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1242) -1 -23.299188 -20.514045 0.083395 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1242) -1 -23.686604 -21.350767 0.440615 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1242) -1 -22.432069 -20.875753 -0.228473 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1243) -1 -12.924111 29.708757 -12.891033 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1243) -1 -13.400857 30.540144 -12.671114 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1243) -1 -12.887744 29.300011 -11.993428 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1244) -1 -12.609102 -17.448245 -13.069232 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1244) -1 -11.739931 -17.761899 -13.430633 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1244) -1 -13.111399 -17.387481 -13.919947 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1245) -1 -14.288180 -17.592987 -15.159772 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1245) -1 -14.842889 -18.329617 -14.828754 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1245) -1 -14.918367 -17.165665 -15.779223 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1246) -1 -15.542047 19.789038 2.392676 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1246) -1 -14.802928 19.937657 3.014009 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1246) -1 -15.524841 18.805523 2.335806 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1247) -1 25.050878 -11.080650 13.650224 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1247) -1 24.313782 -10.755625 14.193995 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1247) -1 25.347582 -10.247513 13.229199 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1248) -1 -22.905678 6.802743 -9.541168 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1248) -1 -22.919717 6.447668 -8.613663 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1248) -1 -23.667654 6.300614 -9.902498 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1249) -1 3.090028 -13.424498 12.568035 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1249) -1 2.319957 -13.387021 13.178478 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1249) -1 2.827989 -14.198765 12.020066 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1250) -1 10.367450 -16.513466 5.146582 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1250) -1 10.509120 -17.098295 4.356109 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1250) -1 11.109331 -16.838210 5.707560 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1251) -1 -6.844049 13.190940 3.479131 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1251) -1 -7.505954 12.726050 2.918200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1251) -1 -6.130304 12.523991 3.496358 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1252) -1 -10.480287 -18.562491 6.174878 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1252) -1 -11.154110 -18.458797 6.883214 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1252) -1 -9.774660 -19.022142 6.671682 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1253) -1 37.387928 -3.913879 0.490427 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1253) -1 37.686236 -4.061290 1.415726 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1253) -1 36.767804 -4.673820 0.394564 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1254) -1 -11.229414 -20.859793 12.372565 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1254) -1 -11.351991 -21.264975 11.495725 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1254) -1 -10.739537 -20.040171 12.108274 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1255) -1 23.487357 8.931618 -12.244740 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1255) -1 22.511786 8.770185 -12.233623 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1255) -1 23.772083 8.043238 -12.580166 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1256) -1 15.089442 17.529813 4.114766 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1256) -1 15.890461 17.622866 3.529397 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1256) -1 14.526574 18.230964 3.700289 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1257) -1 -30.862006 -15.021091 -10.664675 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1257) -1 -30.617291 -15.468213 -11.498705 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1257) -1 -30.284305 -14.234671 -10.703922 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1258) -1 10.964711 -17.845610 -5.541613 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1258) -1 11.280229 -18.221018 -6.402292 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1258) -1 10.205684 -17.316827 -5.876166 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1259) -1 13.470307 4.528153 -16.526389 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1259) -1 14.392757 4.199982 -16.426525 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1259) -1 13.421294 5.104303 -15.719965 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1260) -1 27.296443 9.705544 7.142355 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1260) -1 27.992688 9.051611 6.906217 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1260) -1 26.777032 9.689807 6.298845 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1261) -1 -10.136043 1.646430 20.269204 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1261) -1 -9.813694 2.057900 19.437784 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1261) -1 -10.805850 1.023518 19.888382 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1262) -1 -19.843294 24.129403 0.351249 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1262) -1 -20.201155 23.206272 0.324848 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1262) -1 -19.350555 24.055571 1.214302 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1263) -1 -6.821447 -15.298375 0.480244 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1263) -1 -7.621082 -15.230595 -0.075750 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1263) -1 -7.221079 -15.455846 1.361603 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1264) -1 -17.939476 16.656020 12.725701 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1264) -1 -18.843468 16.941024 12.922022 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1264) -1 -18.094030 15.689752 12.557188 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1265) -1 2.565891 -12.565636 3.633088 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1265) -1 3.532638 -12.335797 3.618553 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1265) -1 2.614720 -13.364908 4.201786 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1266) -1 -12.908986 -18.048489 16.616547 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1266) -1 -13.459362 -17.414116 16.101581 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1266) -1 -12.631638 -18.640904 15.863372 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1267) -1 -18.851576 9.418175 4.051054 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1267) -1 -18.092202 10.006792 4.268982 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1267) -1 -19.222202 9.276724 4.948500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1268) -1 -7.533376 -20.841775 4.820638 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1268) -1 -7.848914 -21.759780 4.997493 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1268) -1 -7.655377 -20.454408 5.715149 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1269) -1 10.009850 -14.225015 -2.635755 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1269) -1 10.512946 -15.072692 -2.704758 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1269) -1 9.467099 -14.301888 -3.456435 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1270) -1 -10.427719 11.274609 14.785199 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1270) -1 -10.368874 10.337482 15.102509 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1270) -1 -11.409425 11.305430 14.620843 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1271) -1 -9.238577 26.640540 -10.603404 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1271) -1 -8.770551 26.435419 -11.445191 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1271) -1 -8.639137 26.165644 -9.973732 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1272) -1 -2.509434 -12.811994 14.781435 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1272) -1 -2.129547 -13.652768 15.128996 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1272) -1 -2.267397 -12.921658 13.827597 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1273) -1 3.581423 6.504276 -5.871534 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1273) -1 3.689170 5.579897 -6.202520 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1273) -1 2.603574 6.482475 -5.704910 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1275) -1 -15.128783 -19.419652 7.389767 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1275) -1 -15.646792 -18.583933 7.270934 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1275) -1 -15.048538 -19.410347 8.367457 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1276) -1 -23.705380 -6.209499 17.025392 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1276) -1 -22.807956 -6.385202 16.646690 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1276) -1 -24.224094 -6.129260 16.213573 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1277) -1 -19.335557 -15.986711 -14.749031 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1277) -1 -19.033004 -16.906787 -14.919264 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1277) -1 -18.716873 -15.783559 -13.978602 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1278) -1 -26.601374 -26.865491 -3.157512 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1278) -1 -26.541114 -26.108513 -2.534053 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1278) -1 -25.750832 -26.752606 -3.640749 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1279) -1 8.746506 0.097749 -17.389905 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1279) -1 8.300190 0.522872 -16.626346 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1279) -1 8.535506 -0.842381 -17.217785 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1280) -1 26.986491 -10.233134 -14.420386 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1280) -1 26.632187 -9.382629 -14.055847 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1280) -1 26.650417 -10.147692 -15.344733 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1281) -1 -7.691800 20.025716 -11.101656 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1281) -1 -7.626209 19.893681 -12.076860 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1281) -1 -8.642638 19.800900 -10.977579 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1282) -1 -30.121577 -21.724529 -2.553869 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1282) -1 -29.502189 -21.370584 -1.868691 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1282) -1 -30.650184 -20.910722 -2.720383 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1284) -1 10.629906 14.356715 8.981779 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1284) -1 9.953297 15.003359 8.741683 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1284) -1 11.412896 14.727146 8.504785 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1285) -1 -23.829709 3.663694 -3.131572 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1285) -1 -23.185849 3.334885 -3.823612 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1285) -1 -24.590299 3.064650 -3.367890 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1286) -1 -20.751972 10.317840 12.553719 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1286) -1 -20.796742 11.295473 12.611498 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1286) -1 -20.106926 10.135353 13.272478 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1287) -1 -10.479963 -19.147090 1.313565 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1287) -1 -10.983338 -19.070367 2.173287 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1287) -1 -9.710824 -19.670757 1.665405 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1288) -1 11.258272 -16.615131 -3.032363 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1288) -1 11.095360 -17.154254 -3.836953 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1288) -1 11.245588 -17.320721 -2.347420 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1289) -1 33.130325 7.974388 5.963763 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1289) -1 33.541017 8.492559 5.231115 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1289) -1 32.393629 7.555369 5.465012 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1290) -1 13.776067 -13.615080 5.224089 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1290) -1 13.539606 -13.561071 6.172382 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1290) -1 14.328129 -12.808843 5.136302 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1291) -1 16.754267 23.001452 6.429361 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1291) -1 16.694350 23.130406 5.461939 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1291) -1 16.545480 22.049072 6.496206 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1292) -1 -10.158262 -16.750781 -6.176692 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1292) -1 -10.937931 -16.195486 -5.926523 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1292) -1 -10.360688 -16.869189 -7.138945 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1293) -1 -25.187847 2.110666 -9.516753 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1293) -1 -24.573963 1.593956 -8.949620 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1293) -1 -25.765114 1.389941 -9.843883 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1294) -1 -0.591057 -15.678194 4.787086 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1294) -1 0.310253 -15.796494 5.177909 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1294) -1 -1.027119 -16.475605 5.185863 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1295) -1 8.027238 1.372392 -10.840628 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1295) -1 7.326063 0.702854 -11.015526 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1295) -1 8.819397 0.797878 -10.903315 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1296) -1 -0.960226 -1.677492 -11.050604 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1296) -1 -1.536475 -2.373679 -11.450639 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1296) -1 -0.494444 -2.254806 -10.383906 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1297) -1 19.970051 10.805332 -14.809979 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1297) -1 19.585362 11.025666 -13.931164 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1297) -1 20.582154 11.573620 -14.912660 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1298) -1 -9.031452 -18.008901 -0.626775 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1298) -1 -8.179432 -18.371306 -0.265573 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1298) -1 -9.634522 -18.316049 0.097787 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1299) -1 19.036531 11.128796 -12.260531 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1299) -1 19.504379 10.509142 -11.657842 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1299) -1 18.105359 10.893307 -12.051771 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1300) -1 -1.491988 -16.363713 8.648229 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1300) -1 -2.341011 -16.619117 9.093752 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1300) -1 -1.825008 -15.612672 8.097954 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1301) -1 -8.735457 24.829051 -5.033579 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1301) -1 -8.313621 25.528355 -5.586192 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1301) -1 -8.059024 24.118037 -5.131193 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1302) -1 -21.800970 16.749368 1.129604 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1302) -1 -21.600402 16.003809 0.504355 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1302) -1 -20.899480 16.801271 1.555474 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1303) -1 -10.043942 17.881114 -3.176067 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1303) -1 -10.087493 16.917462 -2.974637 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1303) -1 -9.268959 18.131596 -2.625160 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1304) -1 -18.724215 10.104192 -1.712638 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1304) -1 -19.397893 9.873647 -1.038071 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1304) -1 -18.086168 10.603722 -1.165504 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1305) -1 23.135513 -8.686206 14.278841 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1305) -1 22.382108 -8.278918 13.768567 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1305) -1 22.651455 -8.830293 15.132848 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1306) -1 -12.971306 29.816482 -3.368988 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1306) -1 -12.285126 29.482866 -4.002466 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1306) -1 -12.533013 29.521126 -2.526298 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1307) -1 -19.800751 6.602271 7.756191 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1307) -1 -20.276388 6.069832 7.076857 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1307) -1 -18.901626 6.627020 7.374689 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1308) -1 19.127297 16.389359 -2.441012 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1308) -1 18.754634 15.479729 -2.472562 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1308) -1 19.343937 16.510674 -3.400655 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1309) -1 14.273211 12.576186 16.123327 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1309) -1 15.099440 12.835116 15.660675 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1309) -1 13.618228 13.073004 15.581674 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1310) -1 7.976686 13.440704 -9.729693 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1310) -1 8.728485 13.324560 -9.097280 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1310) -1 8.473720 13.814199 -10.492014 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1311) -1 2.960624 -4.269366 16.506259 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1311) -1 3.900935 -4.289717 16.727989 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1311) -1 2.950268 -3.567136 15.812757 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1312) -1 32.663905 11.738798 -3.777118 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1312) -1 33.303002 11.324194 -3.150870 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1312) -1 31.857989 11.735516 -3.219597 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1313) -1 -10.776382 18.109467 -13.565080 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1313) -1 -9.962239 17.874921 -14.036473 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1313) -1 -11.200108 17.219746 -13.479330 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1314) -1 -10.533952 -22.350347 3.026737 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1314) -1 -11.175518 -22.635718 2.336293 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1314) -1 -11.176302 -22.031401 3.710329 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1315) -1 18.514591 -4.511910 -17.010619 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1315) -1 18.853502 -5.426411 -17.137617 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1315) -1 17.710427 -4.723183 -16.474286 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1316) -1 -21.238004 10.050847 -5.061923 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1316) -1 -21.735946 9.287980 -4.674749 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1316) -1 -21.973847 10.537436 -5.483721 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1317) -1 -12.416986 10.060024 -10.013650 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1317) -1 -13.024651 9.639435 -9.349215 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1317) -1 -11.948833 9.247123 -10.312866 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1318) -1 -21.024891 26.514647 -0.073799 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1318) -1 -20.620057 25.639289 0.135936 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1318) -1 -20.731784 26.608160 -1.009516 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1319) -1 23.048285 -15.499614 -11.197282 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1319) -1 22.882331 -15.126595 -12.093779 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1319) -1 22.270269 -16.102613 -11.130388 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1320) -1 4.379649 13.485839 -5.096114 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1320) -1 4.753831 12.627945 -5.398507 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1320) -1 3.577579 13.161936 -4.634038 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1321) -1 -9.288835 14.442728 0.866759 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1321) -1 -10.201734 14.372684 0.516765 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1321) -1 -9.159460 13.528659 1.201829 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1322) -1 -23.534962 -3.040044 2.489866 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1322) -1 -23.982216 -2.359234 1.932248 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1322) -1 -23.396082 -2.491952 3.309875 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1323) -1 2.767705 -2.432407 14.504262 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1323) -1 2.200593 -1.621306 14.494487 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1323) -1 3.128624 -2.359658 13.580132 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1324) -1 -30.380216 -21.279024 -6.851494 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1324) -1 -30.469794 -20.343019 -6.550227 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1324) -1 -30.914478 -21.719113 -6.145937 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1325) -1 -12.611603 16.161389 -4.636340 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1325) -1 -11.929093 15.747215 -5.220749 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1325) -1 -12.615064 17.064958 -5.009867 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1326) -1 -2.301236 10.377678 2.221289 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1326) -1 -1.436519 9.920380 2.159288 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1326) -1 -2.494218 10.527940 1.272485 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1327) -1 -6.128939 21.648382 -9.720622 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1327) -1 -5.284429 21.172026 -9.771890 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1327) -1 -6.724645 20.977464 -10.151988 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1328) -1 -22.939996 -9.965883 -10.940713 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1328) -1 -22.350015 -10.551721 -11.471366 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1328) -1 -22.402553 -9.143560 -10.949208 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1329) -1 -12.140900 15.852963 -13.125148 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1329) -1 -11.989110 15.624452 -12.170598 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1329) -1 -12.087693 14.928427 -13.494477 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1330) -1 28.084866 -11.793664 -6.203288 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1330) -1 27.897493 -12.614122 -6.707148 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1330) -1 27.463260 -11.175714 -6.630567 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1331) -1 -22.618813 19.841488 8.203411 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1331) -1 -22.924245 19.551376 7.325842 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1331) -1 -21.717037 20.164674 7.991741 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1332) -1 17.239789 5.919314 -17.287723 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1332) -1 17.121928 6.560876 -16.547180 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1332) -1 16.875436 5.112630 -16.863526 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1333) -1 -13.033739 2.789648 18.162545 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1333) -1 -12.821392 3.145537 19.052188 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1333) -1 -13.992850 2.600199 18.279274 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1334) -1 -12.300655 15.958711 5.413533 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1334) -1 -12.481858 15.990968 6.378292 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1334) -1 -12.918526 15.239953 5.147295 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1335) -1 -27.723842 -17.174419 -2.728639 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1335) -1 -28.487358 -17.093853 -3.349484 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1335) -1 -27.853750 -16.343783 -2.215901 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1336) -1 -17.268417 -9.597034 15.233455 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1336) -1 -17.350011 -9.582983 14.251457 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1336) -1 -17.008528 -10.512073 15.387076 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1337) -1 28.635271 3.465068 -9.874196 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1337) -1 28.659174 4.269242 -10.452350 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1337) -1 29.585203 3.296962 -9.775219 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1338) -1 -2.390567 -18.559371 0.827108 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1338) -1 -3.320612 -18.433445 1.091467 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1338) -1 -2.377819 -19.492549 0.580400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1339) -1 -23.574562 16.073294 7.719355 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1339) -1 -22.944376 15.322865 7.855566 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1339) -1 -24.346874 15.557550 7.384950 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1340) -1 31.584292 12.756532 -6.001688 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1340) -1 32.075853 12.436826 -5.205355 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1340) -1 31.945544 12.176011 -6.682286 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1341) -1 -11.918573 28.666603 -1.159169 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1341) -1 -12.670293 28.656067 -0.520863 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1341) -1 -11.445260 27.853823 -0.857209 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1342) -1 -6.090766 -10.850743 -12.368252 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1342) -1 -5.720695 -11.627024 -12.815979 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1342) -1 -5.345680 -10.554508 -11.817231 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1343) -1 -11.234015 28.649457 -5.049095 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1343) -1 -11.066820 27.704756 -5.284006 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1343) -1 -10.513996 28.765128 -4.373135 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1344) -1 -15.967956 4.179724 16.731553 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1344) -1 -16.817832 4.311186 16.255973 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1344) -1 -16.206510 3.457416 17.339327 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1345) -1 16.702379 17.646431 -2.016294 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1345) -1 17.650564 17.373612 -2.024499 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1345) -1 16.622832 17.866993 -1.045122 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1346) -1 33.732314 9.139602 3.576360 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1346) -1 33.080686 9.838651 3.323578 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1346) -1 33.487574 8.455271 2.905063 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1347) -1 -19.011356 26.778249 -14.812729 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1347) -1 -19.315872 25.927556 -15.210646 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1347) -1 -18.908460 26.491342 -13.882296 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1348) -1 -18.136765 6.709327 12.161100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1348) -1 -18.369192 5.755642 12.309559 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1348) -1 -18.816754 6.911364 11.470085 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1349) -1 -7.584425 -21.774893 -3.297116 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1349) -1 -8.262249 -21.125786 -2.962658 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1349) -1 -6.780312 -21.306338 -2.948795 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1350) -1 -10.357451 -8.454553 18.219476 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1350) -1 -9.806117 -9.161798 18.629094 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1350) -1 -10.138196 -7.714867 18.840182 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1351) -1 26.099068 14.072173 10.403861 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1351) -1 26.197448 13.574425 9.571984 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1351) -1 25.151740 14.332960 10.348429 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1352) -1 22.322478 -15.439459 5.345725 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1352) -1 21.482756 -15.144006 4.925728 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1352) -1 22.367613 -14.763671 6.076498 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1353) -1 9.866082 12.546013 -2.620523 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1353) -1 10.102027 12.647231 -1.660150 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1353) -1 10.758194 12.294702 -2.963057 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1354) -1 14.693039 9.929801 13.308812 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1354) -1 15.672146 10.034903 13.337850 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1354) -1 14.469646 10.808253 12.890836 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1355) -1 11.030683 -6.120020 6.045599 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1355) -1 11.292004 -7.034586 5.794705 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1355) -1 10.497761 -6.318597 6.853655 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1356) -1 30.564626 -7.912941 -4.071120 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1356) -1 29.705277 -7.556056 -3.759833 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1356) -1 30.309285 -8.852218 -4.216470 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1357) -1 -1.958878 -13.454686 -4.579456 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1357) -1 -2.794744 -13.538363 -4.082654 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1357) -1 -1.654082 -14.390241 -4.555279 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1358) -1 11.501686 15.306510 3.120972 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1358) -1 12.319075 15.145421 3.672424 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1358) -1 11.353679 16.253055 3.403357 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1359) -1 20.909523 5.717650 -9.452672 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1359) -1 20.189947 5.828133 -8.808175 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1359) -1 21.393634 6.567278 -9.320865 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1360) -1 22.194982 -15.338425 -5.337823 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1360) -1 21.690264 -15.680220 -6.095656 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1360) -1 21.677532 -15.680251 -4.587260 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1361) -1 21.091535 12.658003 12.469687 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1361) -1 20.374204 13.055396 13.029372 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1361) -1 21.059390 13.318215 11.725310 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1362) -1 22.545603 -14.090957 -13.467733 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1362) -1 22.265062 -13.167567 -13.715157 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1362) -1 21.851759 -14.577827 -14.014925 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1363) -1 11.372277 0.625317 -17.346509 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1363) -1 10.400012 0.512744 -17.534032 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1363) -1 11.481331 -0.143500 -16.734195 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1364) -1 24.082252 -1.866560 -15.242817 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1364) -1 23.321977 -1.252954 -15.321034 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1364) -1 24.410285 -1.614468 -14.353152 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1365) -1 -19.703501 18.696211 -10.180308 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1365) -1 -19.327799 18.369692 -11.026370 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1365) -1 -19.556210 17.891249 -9.626662 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1366) -1 6.912787 -7.433218 -11.183405 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1366) -1 6.540991 -7.011836 -10.373856 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1366) -1 7.626814 -7.968207 -10.773182 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1367) -1 -7.436446 -17.412120 14.904801 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1367) -1 -7.316219 -16.941466 14.037128 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1367) -1 -6.798793 -18.147757 14.756766 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1368) -1 -6.733089 22.915907 -5.064935 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1368) -1 -5.877006 23.003507 -4.613334 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1368) -1 -7.095410 22.126101 -4.587495 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1369) -1 -26.447468 -24.422230 -1.914227 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1369) -1 -25.713438 -23.922451 -2.358494 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1369) -1 -27.196882 -24.121758 -2.485771 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1370) -1 12.016273 8.271827 9.657912 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1370) -1 12.558119 7.990205 10.433086 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1370) -1 11.627562 7.397088 9.411523 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1371) -1 -15.861023 13.644405 -0.016938 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1371) -1 -14.985093 13.285802 -0.345381 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1371) -1 -16.376571 12.797801 -0.099718 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1372) -1 -6.628812 4.225333 15.869296 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1372) -1 -5.834945 3.666121 16.022911 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1372) -1 -6.970739 4.285547 16.789968 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1373) -1 21.322424 -8.892027 16.287150 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1373) -1 20.467300 -8.776491 15.808500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1373) -1 21.030819 -8.804126 17.203094 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1374) -1 -17.870264 12.378064 -5.708236 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1374) -1 -18.065863 11.836335 -6.504470 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1374) -1 -16.903103 12.210966 -5.623376 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1375) -1 28.871590 -9.518024 -1.470344 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1375) -1 29.231009 -9.977140 -2.266135 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1375) -1 28.105244 -10.124330 -1.286702 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1376) -1 -10.367077 -21.598257 7.138246 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1376) -1 -9.534488 -21.066499 7.156710 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1376) -1 -10.696838 -21.376151 8.047151 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1377) -1 31.665876 3.047913 -1.848732 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1377) -1 30.881124 2.864007 -2.429593 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1377) -1 32.070331 3.775318 -2.383275 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1378) -1 -12.134081 20.859390 8.757472 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1378) -1 -13.104359 20.962365 8.644946 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1378) -1 -12.126403 20.418113 9.645719 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1379) -1 -2.067339 9.678932 -5.638372 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1379) -1 -1.211584 9.285865 -5.356788 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1379) -1 -2.415977 8.954367 -6.198463 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1380) -1 -26.986886 -4.459595 -2.654661 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1380) -1 -26.314638 -5.009782 -3.115076 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1380) -1 -26.425731 -4.060356 -1.955230 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1381) -1 -24.329873 -6.016100 19.653955 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1381) -1 -23.415265 -5.868866 19.917014 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1381) -1 -24.232051 -6.114089 18.678245 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1382) -1 -9.963959 17.124031 -9.642863 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1382) -1 -9.078716 16.728032 -9.560671 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1382) -1 -10.109628 17.399543 -8.699319 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1383) -1 -3.979887 -16.983909 -9.769869 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1383) -1 -3.130166 -16.589210 -10.059020 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1383) -1 -3.789901 -17.142686 -8.822599 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1384) -1 18.838571 7.753098 13.321609 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1384) -1 19.327147 8.598344 13.210691 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1384) -1 17.987634 8.072977 13.655145 L 1 944 1.0 2 1.0 3 1.0 4 1.0 2 3 4 5 1.0 6 1.0 7 1.0 5 6 7 8 1.0 9 1.0 8 9 10 1013 1.0 11 1.0 1015 1.0 12 1.0 11 12 13 1.0 14 1.0 13 14 15 1.0 16 1.0 15 16 17 1.0 18 1.0 22 1.0 17 18 19 1.0 20 1.0 21 1.0 19 20 21 22 23 1.0 24 1.0 23 24 25 1.0 26 1.0 25 26 27 1.0 28 1.0 29 1.0 27 28 29 30 1.0 31 1.0 30 31 32 1.0 33 1.0 32 33 34 1.0 35 1.0 46 1.0 34 35 36 1.0 37 1.0 38 1.0 36 37 38 39 1.0 44 1.0 39 40 1.0 41 1.0 40 41 42 1.0 43 1.0 42 43 44 1.0 44 45 1.0 45 46 47 1.0 48 1.0 47 48 49 1.0 50 1.0 49 50 51 1.0 52 1.0 151 1.0 51 52 53 1.0 54 1.0 55 1.0 53 54 55 56 1.0 56 57 1981 1.0 58 1.0 59 1.0 60 1.0 58 59 60 61 1.0 62 1.0 61 62 63 1.0 66 1.0 63 64 1.0 65 1.0 64 65 66 67 1.0 68 1.0 67 68 69 70 1.0 73 1.0 77 1.0 78 1.0 70 71 1.0 72 1.0 71 72 73 74 1.0 75 1.0 76 1.0 74 75 76 77 78 79 1.0 80 1.0 81 1.0 79 80 81 82 1.0 83 1.0 84 1.0 82 83 84 85 1.0 123 1.0 85 86 1.0 122 1.0 86 87 1.0 111 1.0 121 1.0 87 88 1.0 109 1.0 110 1.0 88 89 1.0 89 90 1.0 90 91 1.0 107 1.0 108 1.0 91 92 1.0 99 1.0 106 1.0 92 93 1.0 98 1.0 93 94 1.0 97 1.0 94 3780 1.0 95 1.0 96 1.0 95 96 97 98 99 100 1.0 105 1.0 100 101 1.0 104 1.0 101 3783 1.0 102 1.0 103 1.0 102 103 104 105 106 107 108 109 110 111 112 1.0 113 1.0 112 113 114 1.0 120 1.0 114 115 1.0 118 1.0 119 1.0 115 116 1.0 117 1.0 116 117 118 119 120 121 122 123 124 125 1.0 126 1.0 125 126 1.0 126 127 128 1.0 129 1.0 128 129 1.0 129 130 131 1.0 132 1.0 131 132 1.0 132 133 134 1.0 135 1.0 134 135 1.0 135 136 137 1.0 138 1.0 137 138 1.0 138 139 140 1.0 141 1.0 140 141 1.0 141 142 143 1.0 144 1.0 143 144 1.0 144 145 146 1.0 147 1.0 146 147 1.0 147 148 149 1.0 150 1.0 149 150 1.0 150 151 152 1.0 153 1.0 152 153 154 1.0 1033 1.0 154 155 1401 1.0 156 1.0 157 1.0 158 1.0 156 157 158 159 1.0 160 1.0 161 1.0 159 160 161 162 1.0 163 1.0 164 1.0 162 163 164 165 166 1.0 167 1.0 166 167 1.0 167 168 169 1.0 170 1.0 169 170 1.0 170 171 172 1.0 173 1.0 172 173 1.0 173 174 175 1.0 176 1.0 175 176 1.0 176 177 178 1.0 179 1.0 178 179 1.0 179 180 181 1.0 182 1.0 181 182 1.0 182 183 184 1.0 185 1.0 184 185 1.0 185 186 187 1.0 188 1.0 187 188 1.0 188 189 190 1.0 191 1.0 190 191 1.0 191 192 193 1.0 194 1.0 193 194 1.0 194 195 196 1.0 197 1.0 196 197 1.0 197 198 199 1.0 200 1.0 199 200 1.0 200 201 202 1.0 203 1.0 202 203 1.0 203 204 205 1.0 206 1.0 207 1.0 208 1.0 205 206 207 208 209 1.0 210 1.0 221 1.0 209 210 211 1.0 212 1.0 213 1.0 211 212 213 214 1.0 215 1.0 216 1.0 214 215 216 217 1.0 217 218 1.0 219 1.0 220 1.0 218 219 220 221 222 1.0 223 1.0 222 223 224 1.0 225 1.0 224 225 226 1.0 227 1.0 240 1.0 226 227 228 1.0 229 1.0 230 1.0 228 229 230 231 1.0 232 1.0 236 1.0 231 232 233 1.0 234 1.0 235 1.0 233 234 235 236 237 1.0 238 1.0 239 1.0 237 238 239 240 241 1.0 242 1.0 241 242 243 1.0 244 1.0 243 244 245 1.0 246 1.0 264 1.0 245 246 247 1.0 248 1.0 249 1.0 247 248 249 250 1.0 251 1.0 252 1.0 250 251 252 253 1.0 254 1.0 255 1.0 253 254 255 256 1.0 257 1.0 256 257 258 1.0 261 1.0 258 259 1.0 260 1.0 259 260 261 262 1.0 263 1.0 262 263 264 265 1.0 266 1.0 265 266 267 1.0 268 1.0 267 268 269 1.0 270 1.0 288 1.0 269 270 271 1.0 272 1.0 273 1.0 271 272 273 274 1.0 275 1.0 276 1.0 274 275 276 277 1.0 278 1.0 279 1.0 277 278 279 280 1.0 281 1.0 280 281 282 1.0 285 1.0 282 283 1.0 284 1.0 283 284 285 286 1.0 287 1.0 286 287 288 289 1.0 290 1.0 289 290 291 1.0 292 1.0 291 292 293 1.0 294 1.0 298 1.0 293 294 295 1.0 296 1.0 297 1.0 295 296 297 298 299 1.0 300 1.0 299 300 301 1.0 302 1.0 301 302 303 1.0 304 1.0 317 1.0 303 304 305 1.0 306 1.0 307 1.0 305 306 307 308 1.0 309 1.0 313 1.0 308 309 310 1.0 311 1.0 312 1.0 310 311 312 313 314 1.0 315 1.0 316 1.0 314 315 316 317 318 1.0 319 1.0 318 319 320 1.0 321 1.0 320 321 322 1.0 323 1.0 336 1.0 322 323 324 1.0 325 1.0 326 1.0 324 325 326 327 1.0 328 1.0 332 1.0 327 328 329 1.0 330 1.0 331 1.0 329 330 331 332 333 1.0 334 1.0 335 1.0 333 334 335 336 337 1.0 338 1.0 337 338 339 1.0 340 1.0 339 340 341 1.0 342 1.0 347 1.0 341 342 343 1.0 344 1.0 345 1.0 343 344 345 346 1.0 346 347 348 1.0 349 1.0 348 349 350 1.0 351 1.0 350 351 352 1.0 353 1.0 366 1.0 352 353 354 1.0 355 1.0 356 1.0 354 355 356 357 1.0 358 1.0 362 1.0 357 358 359 1.0 360 1.0 361 1.0 359 360 361 362 363 1.0 364 1.0 365 1.0 363 364 365 366 367 1.0 368 1.0 367 368 369 1.0 370 1.0 369 370 371 1.0 372 1.0 376 1.0 371 372 373 1.0 374 1.0 375 1.0 373 374 375 376 377 1.0 378 1.0 377 378 379 1.0 380 1.0 379 380 381 1.0 382 1.0 392 1.0 381 382 383 1.0 384 1.0 388 1.0 383 384 385 1.0 386 1.0 387 1.0 385 386 387 388 389 1.0 390 1.0 391 1.0 389 390 391 392 393 1.0 394 1.0 393 394 395 1.0 396 1.0 395 396 397 1.0 398 1.0 402 1.0 397 398 399 1.0 400 1.0 401 1.0 399 400 401 402 403 1.0 404 1.0 403 404 405 1.0 406 1.0 405 406 407 1.0 408 1.0 412 1.0 407 408 409 1.0 410 1.0 411 1.0 409 410 411 412 413 1.0 414 1.0 413 414 415 1.0 416 1.0 415 416 417 1.0 418 1.0 431 1.0 417 418 419 1.0 420 1.0 421 1.0 419 420 421 422 1.0 423 1.0 427 1.0 422 423 424 1.0 425 1.0 426 1.0 424 425 426 427 428 1.0 429 1.0 430 1.0 428 429 430 431 432 1.0 433 1.0 432 433 434 1.0 435 1.0 434 435 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1012 1.0 1013 1.0 1012 1013 1014 1.0 1014 1015 1016 1.0 1017 1.0 1018 1.0 1016 1017 1018 1019 1.0 1032 1.0 1019 1020 1.0 1021 1.0 1020 1021 1022 1.0 1023 1.0 1022 1023 1024 1.0 1032 1.0 1024 1025 1.0 1026 1.0 1025 1026 1027 1.0 1028 1.0 1027 1028 1029 1.0 1030 1.0 1029 1030 1031 1.0 1032 1.0 1031 1032 1033 1034 1.0 1035 1.0 1051 1.0 1034 1035 1036 1.0 1037 1.0 1038 1.0 1036 1037 1038 1039 1.0 1040 1.0 1041 1.0 1039 1040 1041 1042 1.0 1043 1.0 1044 1.0 1042 1043 1044 1045 1.0 1046 1.0 1047 1.0 1045 1046 1047 1048 1.0 1049 1.0 1050 1.0 1048 1049 1050 1051 1052 1.0 1053 1.0 1052 1053 1054 1.0 1055 1.0 1054 1055 1056 1.0 1057 1.0 1061 1.0 1056 1057 1058 1.0 1059 1.0 1060 1.0 1058 1059 1060 1061 1062 1.0 1063 1.0 1062 1063 1064 1.0 1065 1.0 1064 1065 1066 1.0 1067 1.0 1080 1.0 1066 1067 1068 1.0 1069 1.0 1070 1.0 1068 1069 1070 1071 1.0 1072 1.0 1076 1.0 1071 1072 1073 1.0 1074 1.0 1075 1.0 1073 1074 1075 1076 1077 1.0 1078 1.0 1079 1.0 1077 1078 1079 1080 1081 1.0 1082 1.0 1081 1082 1083 1.0 1084 1.0 1083 1084 1085 1.0 1086 1.0 1090 1.0 1085 1086 1087 1.0 1088 1.0 1089 1.0 1087 1088 1089 1090 1091 1.0 1092 1.0 1091 1092 1093 1.0 1102 1.0 1093 1094 1.0 1095 1.0 1096 1.0 1094 1095 1096 1097 1.0 1098 1.0 1099 1.0 1097 1098 1099 1100 1.0 1101 1.0 1102 1.0 1100 1101 1102 1103 1.0 1104 1.0 1103 1104 1105 1.0 1106 1.0 1105 1106 1107 1.0 1108 1.0 1107 1108 1109 1.0 1110 1.0 1119 1.0 1109 1110 1111 1.0 1112 1.0 1113 1.0 1111 1112 1113 1114 1.0 1115 1.0 1116 1.0 1114 1115 1116 1117 1.0 1118 1.0 1117 1118 1119 1120 1.0 1121 1.0 1120 1121 1122 1.0 1123 1.0 1122 1123 1124 1.0 1125 1.0 1140 1.0 1124 1125 1126 1.0 1127 1.0 1128 1.0 1126 1127 1128 1129 1.0 1138 1.0 1129 1130 1.0 1131 1.0 1130 1131 1132 1.0 1133 1.0 1132 1133 1134 1.0 1136 1.0 1134 1135 1.0 1135 1136 1137 1.0 1138 1.0 1137 1138 1139 1.0 1139 1140 1141 1.0 1142 1.0 1141 1142 1143 1.0 1144 1.0 1143 1144 1145 1.0 1146 1.0 1150 1.0 1145 1146 1147 1.0 1148 1.0 1149 1.0 1147 1148 1149 1150 1151 1.0 1152 1.0 1151 1152 1153 1.0 1154 1.0 1153 1154 1155 1.0 1156 1.0 1172 1.0 1155 1156 1157 1.0 1158 1.0 1159 1.0 1157 1158 1159 1160 1.0 1161 1.0 1162 1.0 1160 1161 1162 1163 1.0 1164 1.0 1165 1.0 1163 1164 1165 1166 1.0 1167 1.0 1168 1.0 1166 1167 1168 1169 1.0 1170 1.0 1171 1.0 1169 1170 1171 1172 1173 1.0 1174 1.0 1173 1174 1175 1.0 1176 1.0 1175 1176 1177 1.0 1178 1.0 1182 1.0 1177 1178 1179 1.0 1180 1.0 1181 1.0 1179 1180 1181 1182 1183 1.0 1184 1.0 1183 1184 1185 1.0 1186 1.0 1185 1186 1187 1.0 1188 1.0 1192 1.0 1187 1188 1189 1.0 1190 1.0 1191 1.0 1189 1190 1191 1192 1193 1.0 1194 1.0 1193 1194 1195 1.0 1196 1.0 1195 1196 1197 1.0 1198 1.0 1199 1.0 1197 1198 1199 1200 1.0 1201 1.0 1200 1201 1202 1.0 1203 1.0 1202 1203 1204 1.0 1205 1.0 1221 1.0 1204 1205 1206 1.0 1207 1.0 1208 1.0 1206 1207 1208 1209 1.0 1210 1.0 1211 1.0 1209 1210 1211 1212 1.0 1213 1.0 1214 1.0 1212 1213 1214 1215 1.0 1216 1.0 1217 1.0 1215 1216 1217 1218 1.0 1219 1.0 1220 1.0 1218 1219 1220 1221 1222 1.0 1223 1.0 1222 1223 1224 1.0 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1.0 1295 1296 1297 1.0 1298 1.0 1297 1298 1299 1.0 1300 1.0 1305 1.0 1299 1300 1301 1.0 1302 1.0 1303 1.0 1301 1302 1303 1304 1.0 1304 1305 1306 1.0 1307 1.0 1306 1307 1308 1.0 1309 1.0 1308 1309 1310 1.0 1311 1.0 1320 1.0 1310 1311 1312 1.0 1313 1.0 1314 1.0 1312 1313 1314 1315 1.0 1316 1.0 1317 1.0 1315 1316 1317 1318 1.0 1319 1.0 1318 1319 1320 1321 1.0 1322 1.0 1321 1322 1323 1.0 1324 1.0 1323 1324 1325 1.0 1326 1.0 1339 1.0 1325 1326 1327 1.0 1328 1.0 1332 1.0 1327 1328 1329 1.0 1330 1.0 1331 1.0 1329 1330 1331 1332 1333 1.0 1334 1.0 1335 1.0 1333 1334 1335 1336 1.0 1337 1.0 1338 1.0 1336 1337 1338 1339 1340 1.0 1341 1.0 1340 1341 1342 1.0 1343 1.0 1342 1343 1344 1.0 1345 1.0 1363 1.0 1344 1345 1346 1.0 1347 1.0 1348 1.0 1346 1347 1348 1349 1.0 1350 1.0 1351 1.0 1349 1350 1351 1352 1.0 1353 1.0 1354 1.0 1352 1353 1354 1355 1.0 1356 1.0 1355 1356 1357 1.0 1360 1.0 1357 1358 1.0 1359 1.0 1358 1359 1360 1361 1.0 1362 1.0 1361 1362 1363 1364 1.0 1365 1.0 1364 1365 1366 1.0 1367 1.0 1366 1367 1368 1.0 1369 1.0 1382 1.0 1368 1369 1370 1.0 1371 1.0 1372 1.0 1370 1371 1372 1373 1.0 1374 1.0 1378 1.0 1373 1374 1375 1.0 1376 1.0 1377 1.0 1375 1376 1377 1378 1379 1.0 1380 1.0 1381 1.0 1379 1380 1381 1382 1383 1.0 1384 1.0 1383 1384 1385 1.0 1386 1.0 1385 1386 1387 1.0 1388 1.0 1392 1.0 1387 1388 1389 1.0 1390 1.0 1391 1.0 1389 1390 1391 1392 1393 1.0 1394 1.0 1393 1394 1395 1.0 1396 1.0 1395 1396 1397 1.0 1398 1.0 1404 1.0 1397 1398 1399 1.0 1400 1.0 1401 1.0 1399 1400 1401 1402 1.0 1403 1.0 1402 1403 1404 1405 1.0 1406 1.0 1405 1406 1407 1.0 1408 1.0 1407 1408 1409 1.0 1410 1.0 1420 1.0 1409 1410 1411 1.0 1412 1.0 1416 1.0 1411 1412 1413 1.0 1414 1.0 1415 1.0 1413 1414 1415 1416 1417 1.0 1418 1.0 1419 1.0 1417 1418 1419 1420 1421 1.0 1422 1.0 1421 1422 1423 1.0 1424 1.0 1423 1424 1425 1.0 1426 1.0 1432 1.0 1425 1426 1427 1.0 1428 1.0 1429 1.0 1427 1428 1429 1430 1.0 1431 1.0 1430 1431 1432 1433 1.0 1434 1.0 1433 1434 1435 1.0 1436 1.0 1435 1436 1437 1.0 1438 1.0 1442 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6560 1.0 6560 6561 6562 1.0 6563 1.0 6562 6563 1.0 6563 6564 6565 1.0 6566 1.0 6565 6566 1.0 6566 6567 6568 1.0 6569 1.0 6568 6569 1.0 6569 6570 6571 1.0 6572 1.0 6571 6572 1.0 6572 6573 6574 1.0 6575 1.0 6574 6575 1.0 6575 6576 6577 1.0 6578 1.0 6577 6578 1.0 6578 6579 6580 1.0 6581 1.0 6580 6581 1.0 6581 6582 6583 1.0 6584 1.0 6583 6584 1.0 6584 6585 6586 1.0 6587 1.0 6586 6587 1.0 6587 6588 6589 1.0 6590 1.0 6589 6590 1.0 6590 6591 6592 1.0 6593 1.0 6592 6593 1.0 6593 6594 6595 1.0 6596 1.0 6595 6596 1.0 6596 6597 6598 1.0 6599 1.0 6598 6599 1.0 6599 6600 6601 1.0 6602 1.0 6601 6602 1.0 6602 6603 6604 1.0 6605 1.0 6604 6605 1.0 6605 6606 6607 1.0 6608 1.0 6607 6608 1.0 6608 6609 6610 1.0 6611 1.0 6610 6611 1.0 6611 6612 6613 1.0 6614 1.0 6613 6614 1.0 6614 6615 6616 1.0 6617 1.0 6616 6617 1.0 6617 6618 6619 1.0 6620 1.0 6619 6620 1.0 6620 6621 6622 1.0 6623 1.0 6622 6623 1.0 6623 6624 6625 1.0 6626 1.0 6625 6626 1.0 6626 6627 6628 1.0 6629 1.0 6628 6629 1.0 6629 6630 6631 1.0 6632 1.0 6631 6632 1.0 6632 6633 6634 1.0 6635 1.0 6634 6635 1.0 6635 6636 6637 1.0 6638 1.0 6637 6638 1.0 6638 6639 6640 1.0 6641 1.0 6640 6641 1.0 6641 6642 6643 1.0 6644 1.0 6643 6644 1.0 6644 6645 6646 1.0 6647 1.0 6646 6647 1.0 6647 6648 6649 1.0 6650 1.0 6649 6650 1.0 6650 6651 6652 1.0 6653 1.0 6652 6653 1.0 6653 6654 6655 1.0 6656 1.0 6655 6656 1.0 6656 6657 6658 1.0 6659 1.0 6658 6659 1.0 6659 6660 6661 1.0 6662 1.0 6661 6662 1.0 6662 6663 6664 1.0 6665 1.0 6664 6665 1.0 6665 6666 6667 1.0 6668 1.0 6667 6668 1.0 6668 6669 6670 1.0 6671 1.0 6670 6671 1.0 6671 6672 6673 1.0 6674 1.0 6673 6674 1.0 6674 6675 6676 1.0 6677 1.0 6676 6677 1.0 6677 6678 6679 1.0 6680 1.0 6679 6680 1.0 6680 6681 6682 1.0 6683 1.0 6682 6683 1.0 6683 6684 6685 1.0 6686 1.0 6685 6686 1.0 6686 6687 6688 1.0 6689 1.0 6688 6689 1.0 6689 6690 6691 1.0 6692 1.0 6691 6692 1.0 6692 6693 6694 1.0 6695 1.0 6694 6695 1.0 6695 6696 6697 1.0 6698 1.0 6697 6698 1.0 6698 6699 6700 1.0 6701 1.0 6700 6701 1.0 6701 6702 6703 1.0 6704 1.0 6703 6704 1.0 6704 6705 6706 1.0 6707 1.0 6706 6707 1.0 6707 6708 6709 1.0 6710 1.0 6709 6710 1.0 6710 6711 6712 1.0 6713 1.0 6712 6713 1.0 6713 6714 6715 1.0 6716 1.0 6715 6716 1.0 6716 6717 6718 1.0 6719 1.0 6718 6719 1.0 6719 6720 6721 1.0 6722 1.0 6721 6722 1.0 6722 6723 6724 1.0 6725 1.0 6724 6725 1.0 6725 6726 6727 1.0 6728 1.0 6727 6728 1.0 6728 6729 6730 1.0 6731 1.0 6730 6731 1.0 6731 6732 6733 1.0 6734 1.0 6733 6734 1.0 6734 6735 6736 1.0 6737 1.0 6736 6737 1.0 6737 6738 6739 1.0 6740 1.0 6739 6740 1.0 6740 6741 6742 1.0 6743 1.0 6742 6743 1.0 6743 6744 6745 1.0 6746 1.0 6745 6746 1.0 6746 6747 6748 1.0 6749 1.0 6748 6749 1.0 6749 6750 6751 1.0 6752 1.0 6751 6752 1.0 6752 6753 6754 1.0 6755 1.0 6754 6755 1.0 6755 6756 6757 1.0 6758 1.0 6757 6758 1.0 6758 6759 6760 1.0 6761 1.0 6760 6761 1.0 6761 6762 6763 1.0 6764 1.0 6763 6764 1.0 6764 6765 6766 1.0 6767 1.0 6766 6767 1.0 6767 6768 6769 1.0 6770 1.0 6769 6770 1.0 6770 6771 6772 1.0 6773 1.0 6772 6773 1.0 6773 6774 6775 1.0 6776 1.0 6775 6776 1.0 6776 6777 6778 1.0 6779 1.0 6778 6779 1.0 6779 6780 6781 1.0 6782 1.0 6781 6782 1.0 6782 6783 6784 1.0 6785 1.0 6784 6785 1.0 6785 6786 6787 1.0 6788 1.0 6787 6788 1.0 6788 6789 6790 1.0 6791 1.0 6790 6791 1.0 6791 6792 6793 1.0 6794 1.0 6793 6794 1.0 6794 6795 6796 1.0 6797 1.0 6796 6797 1.0 6797 6798 6799 1.0 6800 1.0 6799 6800 1.0 6800 6801 6802 1.0 6803 1.0 6802 6803 1.0 6803 6804 6805 1.0 6806 1.0 6805 6806 1.0 6806 6807 6808 1.0 6809 1.0 6808 6809 1.0 6809 6810 6811 1.0 6812 1.0 6811 6812 1.0 6812 6813 6814 1.0 6815 1.0 6814 6815 1.0 6815 6816 6817 1.0 6818 1.0 6817 6818 1.0 6818 6819 6820 1.0 6821 1.0 6820 6821 1.0 6821 6822 6823 1.0 6824 1.0 6823 6824 1.0 6824 6825 6826 1.0 6827 1.0 6826 6827 1.0 6827 6828 6829 1.0 6830 1.0 6829 6830 1.0 6830 6831 6832 1.0 6833 1.0 6832 6833 1.0 6833 6834 6835 1.0 6836 1.0 6835 6836 1.0 6836 6837 6838 1.0 6839 1.0 6838 6839 1.0 6839 6840 6841 1.0 6842 1.0 6841 6842 1.0 6842 6843 6844 1.0 6845 1.0 6844 6845 1.0 6845 6846 6847 1.0 6848 1.0 6847 6848 1.0 6848 6849 6850 1.0 6851 1.0 6850 6851 1.0 6851 6852 6853 1.0 6854 1.0 6853 6854 1.0 6854 6855 6856 1.0 6857 1.0 6856 6857 1.0 6857 6858 6859 1.0 6860 1.0 6859 6860 1.0 6860 6861 6862 1.0 6863 1.0 6862 6863 1.0 6863 6864 6865 1.0 6866 1.0 6865 6866 1.0 6866 6867 6868 1.0 6869 1.0 6868 6869 1.0 6869 6870 6871 1.0 6872 1.0 6871 6872 1.0 6872 6873 6874 1.0 6875 1.0 6874 6875 1.0 6875 6876 6877 1.0 6878 1.0 6877 6878 1.0 6878 6879 6880 1.0 6881 1.0 6880 6881 1.0 6881 6882 6883 1.0 6884 1.0 6883 6884 1.0 6884 6885 6886 1.0 6887 1.0 6886 6887 1.0 6887 6888 6889 1.0 6890 1.0 6889 6890 1.0 6890 6891 6892 1.0 6893 1.0 6892 6893 1.0 6893 6894 6895 1.0 6896 1.0 6895 6896 1.0 6896 6897 6898 1.0 6899 1.0 6898 6899 1.0 6899 6900 6901 1.0 6902 1.0 6901 6902 1.0 6902 6903 6904 1.0 6905 1.0 6904 6905 1.0 6905 6906 6907 1.0 6908 1.0 6907 6908 1.0 6908 6909 6910 1.0 6911 1.0 6910 6911 1.0 6911 6912 6913 1.0 6914 1.0 6913 6914 1.0 6914 6915 6916 1.0 6917 1.0 6916 6917 1.0 6917 6918 6919 1.0 6920 1.0 6919 6920 1.0 6920 6921 6922 1.0 6923 1.0 6922 6923 1.0 6923 6924 6925 1.0 6926 1.0 6925 6926 1.0 6926 6927 6928 1.0 6929 1.0 6928 6929 1.0 6929 6930 6931 1.0 6932 1.0 6931 6932 1.0 6932 6933 6934 1.0 6935 1.0 6934 6935 1.0 6935 6936 6937 1.0 6938 1.0 6937 6938 1.0 6938 6939 6940 1.0 6941 1.0 6940 6941 1.0 6941 6942 6943 1.0 6944 1.0 6943 6944 1.0 6944 6945 6946 1.0 6947 1.0 6946 6947 1.0 6947 6948 6949 1.0 6950 1.0 6949 6950 1.0 6950 6951 6952 1.0 6953 1.0 6952 6953 1.0 6953 6954 6955 1.0 6956 1.0 6955 6956 1.0 6956 6957 6958 1.0 6959 1.0 6958 6959 1.0 6959 6960 6961 1.0 6962 1.0 6961 6962 1.0 6962 6963 6964 1.0 6965 1.0 6964 6965 1.0 6965 6966 6967 1.0 6968 1.0 6967 6968 1.0 6968 6969 6970 1.0 6971 1.0 6970 6971 1.0 6971 6972 6973 1.0 6974 1.0 6973 6974 1.0 6974 6975 6976 1.0 6977 1.0 6976 6977 1.0 6977 6978 6979 1.0 6980 1.0 6979 6980 1.0 6980 6981 6982 1.0 6983 1.0 6982 6983 1.0 6983 6984 6985 1.0 6986 1.0 6985 6986 1.0 6986 6987 6988 1.0 6989 1.0 6988 6989 1.0 6989 6990 6991 1.0 6992 1.0 6991 6992 1.0 6992 6993 6994 1.0 6995 1.0 6994 6995 1.0 6995 6996 6997 1.0 6998 1.0 6997 6998 1.0 6998 6999 7000 1.0 7001 1.0 7000 7001 1.0 7001 7002 7003 1.0 7004 1.0 7003 7004 1.0 7004 7005 7006 1.0 7007 1.0 7006 7007 1.0 7007 7008 7009 1.0 7010 1.0 7009 7010 1.0 7010 7011 7012 1.0 7013 1.0 7012 7013 1.0 7013 7014 7015 1.0 7016 1.0 7015 7016 1.0 7016 7017 7018 1.0 7019 1.0 7018 7019 1.0 7019 7020 7021 1.0 7022 1.0 7021 7022 1.0 7022 7023 7024 1.0 7025 1.0 7024 7025 1.0 7025 7026 7027 1.0 7028 1.0 7027 7028 1.0 7028 7029 7030 1.0 7031 1.0 7030 7031 1.0 7031 7032 7033 1.0 7034 1.0 7033 7034 1.0 7034 7035 7036 1.0 7037 1.0 7036 7037 1.0 7037 7038 7039 1.0 7040 1.0 7039 7040 1.0 7040 7041 7042 1.0 7043 1.0 7042 7043 1.0 7043 7044 7045 1.0 7046 1.0 7045 7046 1.0 7046 7047 7048 1.0 7049 1.0 7048 7049 1.0 7049 7050 7051 1.0 7052 1.0 7051 7052 1.0 7052 7053 7054 1.0 7055 1.0 7054 7055 1.0 7055 7056 7057 1.0 7058 1.0 7057 7058 1.0 7058 7059 7060 1.0 7061 1.0 7060 7061 1.0 7061 7062 7063 1.0 7064 1.0 7063 7064 1.0 7064 7065 7066 1.0 7067 1.0 7066 7067 1.0 7067 7068 7069 1.0 7070 1.0 7069 7070 1.0 7070 7071 7072 1.0 7073 1.0 7072 7073 1.0 7073 7074 7075 1.0 7076 1.0 7075 7076 1.0 7076 7077 7078 1.0 7079 1.0 7078 7079 1.0 7079 7080 7081 1.0 7082 1.0 7081 7082 1.0 7082 7083 7084 1.0 7085 1.0 7084 7085 1.0 7085 7086 7087 1.0 7088 1.0 7087 7088 1.0 7088 7089 7090 1.0 7091 1.0 7090 7091 1.0 7091 7092 7093 1.0 7094 1.0 7093 7094 1.0 7094 7095 7096 1.0 7097 1.0 7096 7097 1.0 7097 7098 7099 1.0 7100 1.0 7099 7100 1.0 7100 7101 7102 1.0 7103 1.0 7102 7103 1.0 7103 7104 7105 1.0 7106 1.0 7105 7106 1.0 7106 7107 7108 1.0 7109 1.0 7108 7109 1.0 7109 7110 7111 1.0 7112 1.0 7111 7112 1.0 7112 7113 7114 1.0 7115 1.0 7114 7115 1.0 7115 7116 7117 1.0 7118 1.0 7117 7118 1.0 7118 7119 7120 1.0 7121 1.0 7120 7121 1.0 7121 7122 7123 1.0 7124 1.0 7123 7124 1.0 7124 7125 7126 1.0 7127 1.0 7126 7127 1.0 7127 7128 7129 1.0 7130 1.0 7129 7130 1.0 7130 7131 7132 1.0 7133 1.0 7132 7133 1.0 7133 7134 7135 1.0 7136 1.0 7135 7136 1.0 7136 7137 7138 1.0 7139 1.0 7138 7139 1.0 7139 7140 7141 1.0 7142 1.0 7141 7142 1.0 7142 7143 7144 1.0 7145 1.0 7144 7145 1.0 7145 7146 7147 1.0 7148 1.0 7147 7148 1.0 7148 7149 7150 1.0 7151 1.0 7150 7151 1.0 7151 7152 7153 1.0 7154 1.0 7153 7154 1.0 7154 7155 7156 1.0 7157 1.0 7156 7157 1.0 7157 7158 7159 1.0 7160 1.0 7159 7160 1.0 7160 7161 7162 1.0 7163 1.0 7162 7163 1.0 7163 7164 7165 1.0 7166 1.0 7165 7166 1.0 7166 VDW C* 1.9080 0.0860 VDW H5 1.3590 0.0150 VDW H4 1.4090 0.0150 VDW HA 1.4590 0.0150 VDW H1 1.3870 0.0157 VDW N3 1.8240 0.1700 VDW N2 1.8240 0.1700 VDW O2 1.6612 0.2100 VDW CN 1.9080 0.0860 VDW NA 1.8240 0.1700 VDW NB 1.8240 0.1700 VDW HS 0.6000 0.0157 VDW HP 1.1000 0.0157 VDW CB 1.9080 0.0860 VDW CC 1.9080 0.0860 VDW OW 1.7683 0.1520 VDW CA 1.9080 0.0860 VDW S 2.0000 0.2500 VDW OH 1.7210 0.2104 VDW CW 1.9080 0.0860 VDW N 1.8240 0.1700 VDW O 1.6612 0.2100 VDW SH 2.0000 0.2500 VDW HC 1.4870 0.0157 VDW H 0.6000 0.0157 VDW CR 1.9080 0.0860 VDW CV 1.9080 0.0860 VDW C 1.9080 0.0860 VDW CT 1.9080 0.1094 HrmStr1 CT H1 340.00 1.0900 HrmStr1 CT HC 340.00 1.0900 HrmStr1 CT HP 340.00 1.0900 HrmStr1 N3 H 434.00 1.0100 HrmStr1 N H 434.00 1.0100 HrmStr1 N2 H 434.00 1.0100 HrmStr1 SH HS 274.00 1.3360 HrmStr1 CV H4 367.00 1.0800 HrmStr1 CR H5 367.00 1.0800 HrmStr1 NA H 434.00 1.0100 HrmStr1 OH HO 553.00 0.9600 HrmStr1 CA HA 367.00 1.0800 HrmStr1 CW H4 367.00 1.0800 HrmStr1 HW HW 553.00 1.5136 HrmStr1 OW HW 553.00 0.9572 HrmStr1 C O 570.00 1.2290 HrmStr1 C N 490.00 1.3350 HrmStr1 S CT 227.00 1.8100 HrmStr1 CT CT 310.00 1.5260 HrmStr1 CT C 317.00 1.5220 HrmStr1 N3 CT 367.00 1.4710 HrmStr1 N CT 337.00 1.4490 HrmStr1 CA N2 481.00 1.3400 HrmStr1 CT N2 337.00 1.4630 HrmStr1 CT SH 237.00 1.8100 HrmStr1 C O2 656.00 1.2500 HrmStr1 NB CV 410.00 1.3940 HrmStr1 CR NB 488.00 1.3350 HrmStr1 NA CR 477.00 1.3430 HrmStr1 CC NA 422.00 1.3850 HrmStr1 CC CV 512.00 1.3750 HrmStr1 CT CC 317.00 1.5040 HrmStr1 CT OH 320.00 1.4100 HrmStr1 CA CA 469.00 1.4000 HrmStr1 CT CA 317.00 1.5100 HrmStr1 C OH 450.00 1.3640 HrmStr1 C CA 469.00 1.4090 HrmStr1 CA CB 469.00 1.4040 HrmStr1 CN CA 469.00 1.4000 HrmStr1 CN CB 447.00 1.4190 HrmStr1 NA CN 428.00 1.3800 HrmStr1 CW NA 427.00 1.3810 HrmStr1 C* CW 546.00 1.3520 HrmStr1 C* CB 388.00 1.4590 HrmStr1 CT C* 317.00 1.4950 HrmStr1 S S 166.00 2.0380 HrmBnd1 HW HW OW 0.00 0.00 HrmBnd1 HW OW HW 0.00 0.00 HrmBnd1 H1 CT HC 35.00 109.5000 #mimick H1-CT-HC HrmBnd1 C N H 50.00 120.0001 HrmBnd1 H1 CT H1 35.00 109.5000 HrmBnd1 S CT H1 50.00 109.5000 HrmBnd1 HC CT CT 50.00 109.5000 HrmBnd1 HC CT HC 35.00 109.5000 HrmBnd1 CT CT H1 50.00 109.5000 HrmBnd1 HP CT CT 50.00 109.5000 HrmBnd1 HP CT C 50.00 109.5000 HrmBnd1 H N3 CT 50.00 109.5000 HrmBnd1 H N3 H 35.00 109.5000 HrmBnd1 N3 CT HP 50.00 109.5000 HrmBnd1 H1 CT C 50.00 109.5000 HrmBnd1 H N CT 50.00 118.0401 HrmBnd1 N CT H1 50.00 109.5000 HrmBnd1 H N2 H 35.00 120.0001 HrmBnd1 CA N2 H 50.00 120.0001 HrmBnd1 H1 CT N2 50.00 109.5000 HrmBnd1 CT N2 H 50.00 118.4001 HrmBnd1 H1 CT SH 50.00 109.5000 HrmBnd1 CT SH HS 43.00 96.0000 HrmBnd1 HC CT C 50.00 109.5000 HrmBnd1 NB CV H4 50.00 120.0001 HrmBnd1 H5 CR NB 50.00 120.0001 HrmBnd1 H NA CR 50.00 120.0001 HrmBnd1 NA CR H5 50.00 120.0001 HrmBnd1 CC NA H 50.00 120.0001 HrmBnd1 CC CV H4 50.00 120.0001 HrmBnd1 HC CT CC 50.00 109.5000 HrmBnd1 HP CT HP 35.00 109.5000 HrmBnd1 H1 CT OH 50.00 109.5000 HrmBnd1 CT OH HO 55.00 108.5000 HrmBnd1 H N H 35.00 120.0001 HrmBnd1 HA CA CA 50.00 120.0001 HrmBnd1 HC CT CA 50.00 109.5000 HrmBnd1 C OH HO 50.00 113.0000 HrmBnd1 C CA HA 50.00 120.0001 HrmBnd1 HA CA CB 50.00 120.0001 HrmBnd1 CN CA HA 50.00 120.0001 HrmBnd1 H NA CN 50.00 123.1001 HrmBnd1 H4 CW NA 50.00 120.0001 HrmBnd1 CW NA H 50.00 120.0001 HrmBnd1 C* CW H4 50.00 120.0001 HrmBnd1 HC CT C* 50.00 109.5000 HrmBnd1 O C N 80.00 122.9001 HrmBnd1 C N CT 50.00 121.9001 HrmBnd1 CT S CT 62.00 98.9000 HrmBnd1 CT CT C 63.00 111.1000 HrmBnd1 CT CT S 50.00 114.7000 HrmBnd1 CT CT CT 40.00 109.5000 HrmBnd1 CT C O 80.00 120.4001 HrmBnd1 CT C N 70.00 116.6000 HrmBnd1 N3 CT CT 80.00 111.2000 HrmBnd1 N3 CT C 80.00 111.2000 HrmBnd1 N CT CT 80.00 109.7000 HrmBnd1 N CT C 63.00 110.1000 HrmBnd1 N2 CA N2 70.00 120.0001 HrmBnd1 CT N2 CA 50.00 123.2001 HrmBnd1 CT CT N2 80.00 111.2000 HrmBnd1 CT CT SH 50.00 108.6000 HrmBnd1 O2 C O2 80.00 126.0001 HrmBnd1 CT C O2 70.00 117.0001 HrmBnd1 CT N CT 50.00 118.0001 HrmBnd1 CR NB CV 70.00 117.0001 HrmBnd1 NA CC CV 70.00 120.0001 HrmBnd1 NA CR NB 70.00 120.0001 HrmBnd1 CC NA CR 70.00 120.0001 HrmBnd1 CC CV NB 70.00 120.0001 HrmBnd1 CT CC NA 70.00 120.0001 HrmBnd1 CT CC CV 70.00 120.0001 HrmBnd1 CT CT CC 63.00 113.1000 HrmBnd1 CT CT OH 50.00 109.5000 HrmBnd1 CA CA CA 63.00 120.0001 HrmBnd1 CT CA CA 70.00 120.0001 HrmBnd1 CT CT CA 63.00 114.0000 HrmBnd1 OH C CA 70.00 120.0001 HrmBnd1 C CA CA 63.00 120.0001 HrmBnd1 CA C CA 63.00 120.0001 HrmBnd1 CA CA CB 63.00 120.0001 HrmBnd1 CA CN CB 63.00 122.7001 HrmBnd1 CN CA CA 63.00 120.0001 HrmBnd1 CN CB CA 63.00 116.2000 HrmBnd1 NA CN CA 70.00 132.8001 HrmBnd1 NA CN CB 70.00 104.4000 HrmBnd1 CW C* CB 63.00 106.4000 HrmBnd1 CW NA CN 70.00 111.6000 HrmBnd1 C* CW NA 70.00 108.7000 HrmBnd1 C* CB CN 63.00 108.8000 HrmBnd1 C* CB CA 63.00 134.9001 HrmBnd1 CT C* CW 70.00 125.0001 HrmBnd1 CT C* CB 70.00 128.6001 HrmBnd1 CT CT C* 63.00 115.6000 HrmBnd1 S S CT 68.00 103.7000 AmbTrs CT CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs O2 C CT CT 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs O2 C CT N3 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N3 CT CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT C O 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT C N 0 0 0 0 0.200 0.200 0.400 0.000 1.0 AmbTrs CT C N CT 0 180 0 0 0.000 2.500 0.000 0.000 1.0 AmbTrs C N CT C 0 0 0 0 0.000 0.270 0.420 0.000 1.0 AmbTrs C N CT CT 0 0 0 0 2.000 2.000 0.400 0.000 1.0 AmbTrs N CT C N 180 180 180 0 0.450 1.580 0.550 0.000 1.0 AmbTrs N CT C O 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N CT CT S 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT S S 0 0 0 0 0.000 0.000 0.333 0.000 1.0 AmbTrs CT N C O 0 180 0 0 0.000 2.500 0.000 0.000 1.0 AmbTrs CT S S CT 0 0 0 0 0.000 3.500 0.600 0.000 1.0 AmbTrs S CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N CT C O2 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N CT CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT CT CT 180 180 0 0 0.200 0.250 0.180 0.000 1.0 AmbTrs CT N CT C 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT N CT CT 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs C CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N CT CT CC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT CC CV 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT CC NA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CC CV NB 0 180 0 0 0.000 5.150 0.000 0.000 1.0 AmbTrs CT CC NA CR 0 180 0 0 0.000 1.400 0.000 0.000 1.0 AmbTrs CC CV NB CR 0 180 0 0 0.000 2.400 0.000 0.000 1.0 AmbTrs CC NA CR NB 0 180 0 0 0.000 2.325 0.000 0.000 1.0 AmbTrs CC CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs NA CR NB CV 0 180 0 0 0.000 5.000 0.000 0.000 1.0 AmbTrs NA CC CV NB 0 180 0 0 0.000 5.150 0.000 0.000 1.0 AmbTrs CR NA CC CV 0 180 0 0 0.000 1.400 0.000 0.000 1.0 AmbTrs N CT CT CA 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT CA CA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CA CA CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CA CA CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N CT CT OH 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs OH CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT CT N2 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT N2 CA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT N2 CA N2 0 180 0 0 0.000 2.400 0.000 0.000 1.0 AmbTrs CA CA CA C 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CA C CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CA C OH 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs N CT CT C* 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT C* CB 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT C* CW 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT C* CB CA 0 180 0 0 0.000 1.675 0.000 0.000 1.0 AmbTrs CT C* CB CN 0 180 0 0 0.000 1.675 0.000 0.000 1.0 AmbTrs CT C* CW NA 0 180 0 0 0.000 6.525 0.000 0.000 1.0 AmbTrs C* CB CA CA 0 180 0 0 0.000 3.500 0.000 0.000 1.0 AmbTrs C* CB CN CA 0 180 0 0 0.000 3.000 0.000 0.000 1.0 AmbTrs C* CB CN NA 0 180 0 0 0.000 3.000 0.000 0.000 1.0 AmbTrs C* CW NA CN 0 180 0 0 0.000 1.500 0.000 0.000 1.0 AmbTrs C* CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CW NA CN CB 0 180 0 0 0.000 1.525 0.000 0.000 1.0 AmbTrs CW NA CN CA 0 180 0 0 0.000 1.525 0.000 0.000 1.0 AmbTrs CW C* CB CA 0 180 0 0 0.000 1.675 0.000 0.000 1.0 AmbTrs CW C* CB CN 0 180 0 0 0.000 1.675 0.000 0.000 1.0 AmbTrs NA CN CB CA 0 180 0 0 0.000 3.000 0.000 0.000 1.0 AmbTrs NA CN CA CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs NA CW C* CB 0 180 0 0 0.000 6.525 0.000 0.000 1.0 AmbTrs CN CB CA CA 0 180 0 0 0.000 3.500 0.000 0.000 1.0 AmbTrs CN CA CA CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CN CB CA 0 180 0 0 0.000 3.000 0.000 0.000 1.0 AmbTrs CA CA CA CB 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CA CN CB 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs N CT CT SH 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs SH CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N3 CT C N 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N3 CT C O 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT CT S 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT S CT 0 0 0 0 0.000 0.000 0.333 0.000 1.0 AmbTrs CT CT CT HC 0 0 0 0 0.000 0.000 0.160 0.000 1.0 AmbTrs C CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs C CT N3 H 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs O2 C CT HP 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N3 CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H N3 CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H N3 CT HP 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs HP CT CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs HP CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs HC CT CT HC 0 0 0 0 0.000 0.000 0.150 0.000 1.0 AmbTrs CT C N H 0 180 0 0 0.000 2.500 0.000 0.000 1.0 AmbTrs HC CT C O 0 0 180 0 0.800 0.000 0.080 0.000 1.0 AmbTrs HC CT C N 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs C N CT H1 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N CT CT H1 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT N H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs S S CT H1 0 0 0 0 0.000 0.000 0.333 0.000 1.0 AmbTrs S CT CT H1 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs C CT N H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs C CT CT H1 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N C CT H1 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs O2 C CT H1 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs H1 CT N H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs H N C O 0 180 0 0 2.000 2.500 0.000 0.000 1.0 AmbTrs O C CT H1 0 0 180 0 0.800 0.000 0.080 0.000 1.0 AmbTrs H1 CT CT H1 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H1 CT CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H1 CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT N CT H1 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs H1 CT CT CC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CC CV H4 0 180 0 0 0.000 5.150 0.000 0.000 1.0 AmbTrs CT CC NA H 0 180 0 0 0.000 1.400 0.000 0.000 1.0 AmbTrs HC CT CC CV 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HC CT CC NA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CC NA CR H5 0 180 0 0 0.000 2.325 0.000 0.000 1.0 AmbTrs NA CC CV H4 0 180 0 0 0.000 5.150 0.000 0.000 1.0 AmbTrs H NA CR NB 0 180 0 0 0.000 2.325 0.000 0.000 1.0 AmbTrs H NA CR H5 0 180 0 0 0.000 2.325 0.000 0.000 1.0 AmbTrs H NA CC CV 0 180 0 0 0.000 1.400 0.000 0.000 1.0 AmbTrs CR NB CV H4 0 180 0 0 0.000 2.400 0.000 0.000 1.0 AmbTrs H5 CR NB CV 0 180 0 0 0.000 5.000 0.000 0.000 1.0 AmbTrs H1 CT CT CA 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CA CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HC CT CA CA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CA CA CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HA CA CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HC CT C O2 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT OH HO 0 0 0 0 0.250 0.000 0.160 0.000 1.0 AmbTrs H1 CT CT OH 0 0 0 0 0.250 0.000 0.000 0.000 1.0 AmbTrs H1 CT OH HO 0 0 0 0 0.000 0.000 0.167 0.000 1.0 AmbTrs HC CT CT OH 0 0 0 0 0.250 0.000 0.000 0.000 1.0 AmbTrs CT CT N2 H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HC CT CT N2 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H1 CT N2 CA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs H1 CT N2 H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N2 CA N2 H 0 180 0 0 0.000 2.400 0.000 0.000 1.0 AmbTrs HA CA CA C 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA C CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA C OH HO 0 180 0 0 0.000 2.300 0.000 0.000 1.0 AmbTrs HA CA C OH 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs H1 CT CT C* 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT C* CW H4 0 180 0 0 0.000 6.525 0.000 0.000 1.0 AmbTrs HC CT C* CB 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HC CT C* CW 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs C* CB CA HA 0 180 0 0 0.000 3.500 0.000 0.000 1.0 AmbTrs C* CW NA H 0 180 0 0 0.000 1.500 0.000 0.000 1.0 AmbTrs H4 CW NA CN 0 180 0 0 0.000 1.500 0.000 0.000 1.0 AmbTrs H4 CW NA H 0 180 0 0 0.000 1.500 0.000 0.000 1.0 AmbTrs H4 CW C* CB 0 180 0 0 0.000 6.525 0.000 0.000 1.0 AmbTrs NA CN CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs H NA CN CB 0 180 0 0 0.000 1.525 0.000 0.000 1.0 AmbTrs H NA CN CA 0 180 0 0 0.000 1.525 0.000 0.000 1.0 AmbTrs CN CB CA HA 0 180 0 0 0.000 3.500 0.000 0.000 1.0 AmbTrs CN CA CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HA CA CN CB 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HA CA CA CB 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CT CT SH HS 0 0 0 0 0.000 0.000 0.250 0.000 1.0 AmbTrs H1 CT CT SH 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H1 CT SH HS 0 0 0 0 0.000 0.000 0.250 0.000 1.0 AmbTrs HP CT C N 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HP CT C O 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HC CT CT S 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT S CT H1 0 0 0 0 0.000 0.000 0.333 0.000 1.0 ImpTrs CT O2 C O2 10.5 180.0 2.0 ImpTrs CT N C O 10.5 180.0 2.0 ImpTrs C CT N CT 1.0 180.0 2.0 ImpTrs CT CV CC NA 1.1 180.0 2.0 ImpTrs CA CA CA CT 1.1 180.0 2.0 ImpTrs N2 N2 CA N2 10.5 180.0 2.0 ImpTrs CA CA C OH 1.1 180.0 2.0 ImpTrs CB CT C* CW 1.1 180.0 2.0 ImpTrs C CT N H 1.1 180.0 2.0 ImpTrs C H N H 1.0 180.0 2.0 ImpTrs CC CR NA H 1.0 180.0 2.0 ImpTrs NA NB CR H5 1.1 180.0 2.0 ImpTrs CC NB CV H4 1.1 180.0 2.0 ImpTrs CA CA CA HA 1.1 180.0 2.0 ImpTrs CT CA N2 H 1.0 180.0 2.0 ImpTrs CA H N2 H 1.0 180.0 2.0 ImpTrs CA C CA HA 1.1 180.0 2.0 ImpTrs C* NA CW H4 1.1 180.0 2.0 ImpTrs CW CN NA H 1.0 180.0 2.0 ImpTrs CN CA CA HA 1.1 180.0 2.0 ImpTrs CA CB CA HA 1.1 180.0 2.0 --Link1-- %mem=54GB %nprocshared=16 %chk=domain-ab-TS3.chk # oniom(mpwpw91/6-31g(d):amber=softfirst)=embedcharge iop(3/76=0594004060) nosymm freq=(noraman,savenormalmodes,modelmodes) geom=connectivity temperature=310 pressure=1.0 6_TSdeprot.rtf -12 1 -1 1 -1 1 C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=47) 0 -13.612798 -6.988905 0.582323 H H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=47) 0 -12.997950 -7.587271 1.252865 H H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=47) 0 -13.891694 -6.113659 1.164505 H C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=47) 0 -14.884232 -7.752248 0.250057 H H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=47) 0 -15.527646 -7.170497 -0.420488 H H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=47) 0 -14.687980 -8.691888 -0.266867 H C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=47) 0 -15.759992 -8.028241 1.477772 H O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=47) 0 -16.547907 -9.028153 1.416404 H O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=47) 0 -15.696410 -7.264209 2.439389 H C-CT--0.027500(PDBName=CA,ResName=TRP,ResNum=52) 0 -24.881600 -13.853508 -3.433847 L H-H1-0.112300(PDBName=HA,ResName=TRP,ResNum=52) 0 -25.454861 -14.021749 -2.522234 L C-C-0.597300(PDBName=C,ResName=TRP,ResNum=52) 0 -23.751143 -14.905850 -3.446295 L O-O--0.567900(PDBName=O,ResName=TRP,ResNum=52) 0 -24.080919 -16.077313 -3.243311 L N-N--0.415700(PDBName=N,ResName=CYM,ResNum=53) 0 -22.469527 -14.547146 -3.661741 L H-HC 16 0.0000 H-H-0.271900(PDBName=H,ResName=CYM,ResNum=53) 0 -22.225568 -13.567078 -3.735023 L C-CT--0.035100(PDBName=CA,ResName=CYM,ResNum=53) 0 -21.387366 -15.511949 -3.894587 H H-H1-0.050800(PDBName=HA,ResName=CYM,ResNum=53) 0 -21.736633 -16.266473 -4.598230 H C-CT--0.241300(PDBName=CB,ResName=CYM,ResNum=53) 0 -20.208161 -14.791915 -4.546794 H H-H1-0.112200(PDBName=HB3,ResName=CYM,ResNum=53) 0 -19.918204 -13.893716 -4.004509 H H-H1-0.112200(PDBName=HB2,ResName=CYM,ResNum=53) 0 -20.441696 -14.499369 -5.569746 H S-SH--0.884400(PDBName=SG,ResName=CYM,ResNum=53) 0 -18.679576 -15.780233 -4.609780 H C-C-0.597300(PDBName=C,ResName=CYM,ResNum=53) 0 -21.032270 -16.146555 -2.574388 H O-O--0.567900(PDBName=O,ResName=CYM,ResNum=53) 0 -20.685996 -15.462089 -1.615792 H N-N--0.415700(PDBName=N,ResName=GLY,ResNum=54) 0 -21.068649 -17.488085 -2.504643 H H-H-0.271900(PDBName=H,ResName=GLY,ResNum=54) 0 -21.504184 -17.993498 -3.270718 H C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=54) 0 -20.818575 -18.178405 -1.263978 H H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=54) 0 -21.569269 -17.957749 -0.508851 H H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=54) 0 -20.842140 -19.249598 -1.459921 H C-C-0.597300(PDBName=C,ResName=GLY,ResNum=54) 0 -19.467839 -17.838343 -0.663551 H O-O--0.567900(PDBName=O,ResName=GLY,ResNum=54) 0 -19.301327 -17.762269 0.545866 H N-N--0.415700(PDBName=N,ResName=HID,ResNum=55) 0 -18.491156 -17.654813 -1.554788 H H-H-0.271900(PDBName=H,ResName=HID,ResNum=55) 0 -18.722777 -17.698992 -2.534842 H C-CT-0.018800(PDBName=CA,ResName=HID,ResNum=55) 0 -17.133839 -17.344883 -1.196588 H H-H1-0.088100(PDBName=HA,ResName=HID,ResNum=55) 0 -16.809059 -18.016409 -0.402530 H C-CT--0.046200(PDBName=CB,ResName=HID,ResNum=55) 0 -16.260126 -17.537716 -2.445775 H H-HC-0.040200(PDBName=HB2,ResName=HID,ResNum=55) 0 -16.622822 -16.879227 -3.233723 H H-HC-0.040200(PDBName=HB3,ResName=HID,ResNum=55) 0 -15.247314 -17.216606 -2.234779 H C-CC--0.026600(PDBName=CG,ResName=HID,ResNum=55) 0 -16.277102 -18.944609 -2.927689 H N-NA--0.381100(PDBName=ND1,ResName=HID,ResNum=55) 0 -15.435362 -19.919208 -2.446143 H H-H-0.364900(PDBName=HD1,ResName=HID,ResNum=55) 0 -14.524610 -19.769411 -2.030489 H C-CR-0.205700(PDBName=CE1,ResName=HID,ResNum=55) 0 -15.770768 -21.076264 -3.043863 H H-H5-0.139200(PDBName=HE1,ResName=HID,ResNum=55) 0 -15.234202 -21.993228 -2.881272 H N-NB--0.572700(PDBName=NE2,ResName=HID,ResNum=55) 0 -16.803924 -20.930872 -3.833193 H C-CV-0.129200(PDBName=CD2,ResName=HID,ResNum=55) 0 -17.117462 -19.599410 -3.780600 H H-H4-0.114700(PDBName=HD2,ResName=HID,ResNum=55) 0 -17.905437 -19.187664 -4.388576 H C-C-0.597300(PDBName=C,ResName=HID,ResNum=55) 0 -17.004746 -15.940305 -0.607410 H O-O--0.567900(PDBName=O,ResName=HID,ResNum=55) 0 -16.209826 -15.700273 0.295940 H N-N--0.415700(PDBName=N,ResName=CYS,ResNum=56) 0 -17.812021 -15.010395 -1.124235 H H-H-0.271900(PDBName=H,ResName=CYS,ResNum=56) 0 -18.488916 -15.282995 -1.816201 H C-CT-0.021300(PDBName=CA,ResName=CYS,ResNum=56) 0 -17.883882 -13.686229 -0.563766 H H-H1-0.112400(PDBName=HA,ResName=CYS,ResNum=56) 0 -16.874284 -13.311212 -0.418093 H C-CT--0.123100(PDBName=CB,ResName=CYS,ResNum=56) 0 -18.673165 -12.721644 -1.452405 H H-H1-0.111200(PDBName=HB2,ResName=CYS,ResNum=56) 0 -19.498865 -13.232017 -1.938384 H H-H1-0.111200(PDBName=HB3,ResName=CYS,ResNum=56) 0 -19.107292 -11.944872 -0.826901 H S-SH--0.311900(PDBName=SG,ResName=CYS,ResNum=56) 0 -17.588718 -11.913807 -2.647037 H H-HS-0.193300(PDBName=HG,ResName=CYS,ResNum=56) 0 -17.006517 -11.183389 -1.444106 H C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=120) 0 -11.785260 -15.767237 1.417484 H H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=120) 0 -12.141568 -16.789389 1.527379 H H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=120) 0 -12.550882 -15.084625 1.778734 H N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=120) 0 -11.460664 -15.494230 0.039338 H H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=120) 0 -10.569336 -15.068859 -0.181426 H C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=120) 0 -12.049751 -16.117071 -0.972075 H N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=120) 0 -13.161434 -16.819593 -0.777534 H H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=120) 0 -13.797831 -16.609753 -0.029756 H H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=120) 0 -13.445357 -17.405477 -1.559061 H N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=120) 0 -11.539132 -16.038582 -2.189234 H H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=120) 0 -10.604040 -15.691474 -2.328410 H H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=120) 0 -12.023947 -16.464176 -2.967816 H C-CT-0.090430(PDBName=C1,ResName=GDS,ResNum=238) 0 -11.903146 -19.241120 -4.773652 H C-C-0.795436(PDBName=C15,ResName=GDS,ResNum=238) 0 -12.599148 -19.127760 -3.419231 H O-O2--0.768529(PDBName=O1,ResName=GDS,ResNum=238) 0 -12.592844 -20.119593 -2.662142 H O-O2--0.768529(PDBName=O2,ResName=GDS,ResNum=238) 0 -13.165802 -18.041545 -3.197437 H N-N3--0.516764(PDBName=N1,ResName=GDS,ResNum=238) 0 -10.990506 -20.416780 -4.736926 H H-H-0.336685(PDBName=H21,ResName=GDS,ResNum=238) 0 -11.503708 -21.295041 -4.675085 H H-H-0.336685(PDBName=H22,ResName=GDS,ResNum=238) 0 -10.372673 -20.369367 -3.915988 H H-H-0.336685(PDBName=H25,ResName=GDS,ResNum=238) 0 -10.399580 -20.480051 -5.575152 H H-HP-0.075961(PDBName=H5,ResName=GDS,ResNum=238) 0 -11.267491 -18.371193 -4.922163 H C-CT-0.021774(PDBName=C7,ResName=GDS,ResNum=238) 0 -12.911135 -19.358874 -5.921942 H H-HC-0.040870(PDBName=H9,ResName=GDS,ResNum=238) 0 -13.647742 -20.126996 -5.679109 H H-HC-0.040870(PDBName=H10,ResName=GDS,ResNum=238) 0 -12.393919 -19.686321 -6.824152 H C-CT--0.669382(PDBName=C11,ResName=GDS,ResNum=238) 0 -13.604826 -18.024967 -6.185656 H H-HC-0.225501(PDBName=H17,ResName=GDS,ResNum=238) 0 -13.966756 -17.591995 -5.258044 H H-HC-0.225501(PDBName=H18,ResName=GDS,ResNum=238) 0 -12.881187 -17.327771 -6.611982 H C-C-1.051032(PDBName=C13,ResName=GDS,ResNum=238) 0 -14.720910 -18.110784 -7.195845 H N-N--0.847389(PDBName=N2,ResName=GDS,ResNum=238) 0 -15.764472 -17.283398 -6.994036 H C-CT-0.125808(PDBName=C2,ResName=GDS,ResNum=238) 0 -16.746887 -17.136604 -8.035208 H C-CT--0.228215(PDBName=C8,ResName=GDS,ResNum=238) 0 -17.996931 -16.390721 -7.573312 H S-S--0.127891(PDBName=S1,ResName=GDS,ResNum=238) 0 -18.895839 -17.138681 -6.159572 H S-S--0.127891(PDBName=S2,ResName=GDS,ResNum=238) 0 -19.139302 -19.340608 -9.180534 H C-CT--0.228215(PDBName=C9,ResName=GDS,ResNum=238) 0 -20.532819 -19.067663 -10.288216 H C-CT-0.125808(PDBName=C5,ResName=GDS,ResNum=238) 0 -21.890052 -18.972185 -9.579573 H C-C-0.499365(PDBName=C19,ResName=GDS,ResNum=238) 0 -22.924490 -18.828707 -10.680676 H N-N--0.214693(PDBName=N4,ResName=GDS,ResNum=238) 0 -23.450098 -17.593237 -10.818832 H C-CT--0.457591(PDBName=C4,ResName=GDS,ResNum=238) 0 -24.476187 -17.199104 -11.734384 H H-H1-0.143996(PDBName=H3,ResName=GDS,ResNum=238) 0 -25.386657 -17.781445 -11.663791 H H-H1-0.143996(PDBName=H4,ResName=GDS,ResNum=238) 0 -24.166274 -17.149039 -12.772979 H H-H-0.267948(PDBName=H30,ResName=GDS,ResNum=238) 0 -23.287104 -16.878344 -10.138200 H O-O--0.591564(PDBName=O11,ResName=GDS,ResNum=238) 0 -23.200257 -19.731793 -11.455340 H N-N--0.847389(PDBName=N5,ResName=GDS,ResNum=238) 0 -22.227570 -20.093442 -8.752629 H C-C-1.051032(PDBName=C14,ResName=GDS,ResNum=238) 0 -22.856149 -19.949623 -7.584202 H C-CT--0.669382(PDBName=C12,ResName=GDS,ResNum=238) 0 -23.354642 -21.256187 -6.995807 H H-HC-0.225501(PDBName=H19,ResName=GDS,ResNum=238) 0 -22.513586 -21.867636 -6.684916 H H-HC-0.225501(PDBName=H20,ResName=GDS,ResNum=238) 0 -23.877709 -21.778368 -7.798361 H O-O--0.715130(PDBName=O12,ResName=GDS,ResNum=238) 0 -22.996119 -18.872769 -6.990962 H H-H-0.433401(PDBName=H28,ResName=GDS,ResNum=238) 0 -22.146971 -21.024410 -9.168219 H H-H1-0.041154(PDBName=H7,ResName=GDS,ResNum=238) 0 -21.887027 -18.095943 -8.941949 H H-H1-0.190294(PDBName=H13,ResName=GDS,ResNum=238) 0 -20.605708 -19.845327 -11.047365 H H-H1-0.190294(PDBName=H14,ResName=GDS,ResNum=238) 0 -20.441539 -18.120382 -10.843857 H H-H1-0.190294(PDBName=H11,ResName=GDS,ResNum=238) 0 -18.708835 -16.399135 -8.395843 H H-H1-0.190294(PDBName=H12,ResName=GDS,ResNum=238) 0 -17.786236 -15.361232 -7.306936 H C-C-0.499365(PDBName=C16,ResName=GDS,ResNum=238) 0 -16.097129 -16.369519 -9.204913 H O-O--0.591564(PDBName=O10,ResName=GDS,ResNum=238) 0 -15.231069 -15.538059 -8.971983 H N-N--0.214693(PDBName=N3,ResName=GDS,ResNum=238) 0 -16.485410 -16.653761 -10.453766 H C-CT--0.457591(PDBName=C3,ResName=GDS,ResNum=238) 0 -15.868926 -15.980960 -11.609536 L H-H 113 0.0000 C-C-1.004947(PDBName=C17,ResName=GDS,ResNum=238) 0 -16.818805 -15.020055 -12.305511 L O-O2--0.856478(PDBName=O3,ResName=GDS,ResNum=238) 0 -17.952021 -15.465023 -12.600492 L O-O2--0.856478(PDBName=O4,ResName=GDS,ResNum=238) 0 -16.442483 -13.851434 -12.563110 L H-H1-0.143996(PDBName=H1,ResName=GDS,ResNum=238) 0 -15.575885 -16.716890 -12.353248 L H-H1-0.143996(PDBName=H2,ResName=GDS,ResNum=238) 0 -14.996249 -15.399513 -11.328716 L H-H-0.267948(PDBName=H29,ResName=GDS,ResNum=238) 0 -17.045757 -17.471573 -10.706304 H H-H1-0.041154(PDBName=H6,ResName=GDS,ResNum=238) 0 -17.048853 -18.122347 -8.379355 H H-H-0.433401(PDBName=H27,ResName=GDS,ResNum=238) 0 -15.657956 -16.519057 -6.338675 H O-O--0.715130(PDBName=O9,ResName=GDS,ResNum=238) 0 -14.666985 -18.862730 -8.158639 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=252) 0 -17.221430 -19.054073 -11.730129 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=252) 0 -18.015026 -19.007309 -12.311849 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=252) 0 -17.647999 -19.410096 -10.918714 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=254) 0 -16.387116 -23.656476 -4.709699 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=254) 0 -16.736189 -22.755353 -4.673165 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=254) 0 -16.427298 -23.902395 -5.634592 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=256) 0 -20.048477 -14.053957 -7.811043 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=256) 0 -19.693866 -14.306864 -8.682929 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=256) 0 -20.996017 -14.175077 -7.964685 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=268) 0 -22.953598 -18.410449 -4.350684 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=268) 0 -22.906724 -18.627502 -5.324377 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=268) 0 -23.660751 -17.736471 -4.380652 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=373) 0 -16.688749 -10.838695 -0.124158 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=373) 0 -16.568508 -9.880195 0.471942 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=373) 0 -17.145076 -11.402579 0.506646 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=800) 0 413.722801 -10.225343 -29.099285 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=800) 0 413.297908 -11.077514 -29.196829 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=800) 0 413.000953 -9.612467 -28.959388 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1001) 0 -19.466135 -15.080799 -10.403901 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1001) 0 -20.363775 -15.174776 -10.828091 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1001) 0 -18.924571 -15.314542 -11.202301 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1076) 0 -13.615035 -19.621664 -11.810774 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1076) 0 -13.283931 -18.821070 -12.256777 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1076) 0 -14.483258 -19.386964 -11.470941 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1088) 0 -19.332649 -22.675570 -9.305795 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1088) 0 -19.189813 -21.718443 -9.183784 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1088) 0 -20.126173 -22.701476 -9.857187 H C-C-0.597300(PDBName=C,ResName=CYS,ResNum=56) 0 -18.521158 -13.697513 0.807967 H O-O--0.567900(PDBName=O,ResName=CYS,ResNum=56) 0 -18.156283 -12.931668 1.685235 H N-N--0.347900(PDBName=N,ResName=LYS,ResNum=57) 0 -19.529293 -14.569508 0.962169 H H-H-0.274700(PDBName=H,ResName=LYS,ResNum=57) 0 -19.864757 -15.130030 0.190942 H C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=81) 0 -18.899833 -4.041302 3.143311 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=81) 0 -19.418515 -4.701298 2.445558 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=81) 0 -18.409875 -4.639164 3.913153 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=81) 0 -19.892670 -3.072822 3.796645 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=81) 0 -19.395097 -2.573418 4.634070 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=81) 0 -20.156561 -2.309946 3.058729 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=81) 0 -21.140523 -3.718894 4.263811 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=81) 0 -21.774997 -2.996884 4.605893 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=81) 0 -21.628904 -4.161665 3.497114 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=81) 0 -20.995304 -4.373098 5.026720 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=241) 0 -20.729201 -2.101459 -0.326135 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=241) 0 -20.177041 -1.497118 -0.871316 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=241) 0 -21.617527 -1.769222 -0.533052 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=247) 0 -12.181837 -19.369887 -9.350447 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=247) 0 -13.036978 -19.238940 -8.916427 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=247) 0 -12.445599 -19.625781 -10.246500 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=290) 0 -24.564566 -22.075692 -10.555432 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=290) 0 -25.094207 -21.442955 -10.023009 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=290) 0 -24.123501 -21.465241 -11.163754 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=300) 0 -20.520400 -23.685747 -4.644797 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=300) 0 -21.442565 -23.371204 -4.556533 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=300) 0 -19.999022 -23.278711 -3.941521 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=510) 0 -19.105979 -22.278491 -2.570367 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=510) 0 -18.456699 -22.517694 -1.885320 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=510) 0 -18.559946 -21.788255 -3.200955 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=702) 0 -21.742377 -17.736371 -13.414873 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=702) 0 -22.432724 -18.299969 -13.047061 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=702) 0 -21.796300 -16.951257 -12.840969 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=714) 0 -19.392524 -19.297179 -13.383960 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=714) 0 -20.181459 -18.735895 -13.277954 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=714) 0 -18.985737 -18.974683 -14.207001 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=928) 0 -22.104704 -22.786144 -9.581297 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=928) 0 -23.027657 -22.786046 -9.893800 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=928) 0 -22.036556 -23.270218 -8.747646 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1135) 0 -17.466248 -7.024771 4.655833 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1135) 0 -16.903276 -7.180423 3.874300 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1135) 0 -17.198828 -7.698041 5.287592 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1274) 0 -26.616389 -6.422969 21.044865 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1274) 0 -26.834360 -7.185559 20.499824 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1274) 0 -25.775984 -6.124530 20.626577 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1283) 0 -20.832003 -23.892229 -7.353483 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1283) 0 -20.497419 -23.719694 -6.459023 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1283) 0 -20.161895 -23.524611 -7.965457 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=249) 0 -12.213646 -15.305628 -5.125366 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=249) 0 -13.179887 -15.312041 -5.240782 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=249) 0 -12.059482 -14.354274 -4.934367 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=265) 0 -24.285755 -18.756176 -1.826809 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=265) 0 -23.694355 -18.800191 -2.601568 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=265) 0 -23.893597 -19.444492 -1.250171 L N-N3-0.159200(PDBName=N,ResName=MET,ResNum=1) 0 -13.523082 23.385264 -13.318306 L H-H-0.198400(PDBName=H1,ResName=MET,ResNum=1) 0 -14.006432 22.516894 -13.504037 L H-H-0.198400(PDBName=H2,ResName=MET,ResNum=1) 0 -12.572771 23.170442 -13.037695 L H-H-0.198400(PDBName=H3,ResName=MET,ResNum=1) 0 -13.474075 23.913735 -14.181056 L C-CT-0.022100(PDBName=CA,ResName=MET,ResNum=1) 0 -14.231803 24.148270 -12.275425 L H-HP-0.111600(PDBName=HA,ResName=MET,ResNum=1) 0 -13.746065 25.117579 -12.164713 L C-CT-0.086500(PDBName=CB,ResName=MET,ResNum=1) 0 -15.694763 24.380373 -12.687133 L H-HC-0.012500(PDBName=HB2,ResName=MET,ResNum=1) 0 -15.714985 24.803254 -13.692095 L H-HC-0.012500(PDBName=HB3,ResName=MET,ResNum=1) 0 -16.221101 23.427332 -12.709924 L C-CT-0.033400(PDBName=CG,ResName=MET,ResNum=1) 0 -16.445645 25.336404 -11.756278 L H-H1-0.029200(PDBName=HG2,ResName=MET,ResNum=1) 0 -16.368311 24.979764 -10.728823 L H-H1-0.029200(PDBName=HG3,ResName=MET,ResNum=1) 0 -15.978609 26.319572 -11.822849 L S-S--0.277400(PDBName=SD,ResName=MET,ResNum=1) 0 -18.203886 25.501884 -12.163381 L C-CT--0.034100(PDBName=CE,ResName=MET,ResNum=1) 0 -18.641430 26.936826 -11.148494 L H-H1-0.059700(PDBName=HE1,ResName=MET,ResNum=1) 0 -18.000424 27.782015 -11.402400 L H-H1-0.059700(PDBName=HE2,ResName=MET,ResNum=1) 0 -19.683219 27.206523 -11.323511 L H-H1-0.059700(PDBName=HE3,ResName=MET,ResNum=1) 0 -18.513881 26.689171 -10.096507 L C-C-0.612300(PDBName=C,ResName=MET,ResNum=1) 0 -14.095587 23.399290 -10.956897 L O-O--0.571300(PDBName=O,ResName=MET,ResNum=1) 0 -14.924312 22.549741 -10.622602 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=2) 0 -13.005996 23.658501 -10.236334 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=2) 0 -12.405345 24.424052 -10.533003 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=2) 0 -12.630726 22.936768 -9.024224 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=2) 0 -12.999820 21.916158 -9.112725 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=2) 0 -11.092147 22.873853 -8.942896 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=2) 0 -10.722291 22.341123 -9.819516 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=2) 0 -10.689886 23.888136 -8.971831 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=2) 0 -10.554306 22.175338 -7.679706 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=2) 0 -10.770903 22.783182 -6.803164 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=2) 0 -11.166095 20.794989 -7.473379 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=2) 0 -10.955318 20.156140 -8.330897 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=2) 0 -10.737867 20.349024 -6.579526 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=2) 0 -12.237963 20.864757 -7.315135 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=2) 0 -9.042920 22.020406 -7.780093 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=2) 0 -8.593875 23.003096 -7.897040 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=2) 0 -8.658188 21.563552 -6.867764 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=2) 0 -8.781248 21.392145 -8.631540 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=2) 0 -13.289690 23.556167 -7.785846 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=2) 0 -12.699751 24.412345 -7.122177 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=3) 0 -14.521221 23.137103 -7.473343 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=3) 0 -14.981222 22.478210 -8.090949 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=3) 0 -15.244910 23.574443 -6.268418 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=3) 0 -14.530645 23.571684 -5.445968 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=3) 0 -15.738083 25.019948 -6.482545 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=3) 0 -15.252501 25.447746 -7.357593 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=3) 0 -16.808455 25.042518 -6.668724 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=3) 0 -15.387124 25.904044 -5.281475 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=3) 0 -16.007826 25.618820 -4.435397 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=3) 0 -14.337131 25.766214 -5.018502 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=3) 0 -15.606972 27.381403 -5.612544 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=3) 0 -14.964044 27.641246 -6.453276 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=3) 0 -16.642662 27.545182 -5.910048 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=3) 0 -15.273236 28.246548 -4.472635 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=3) 0 -14.393389 28.744131 -4.497214 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=3) 0 -15.983440 28.407372 -3.375483 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=3) 0 -17.140519 27.848806 -3.186156 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=3) 0 -17.555551 27.272897 -3.909246 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=3) 0 -17.598013 27.982762 -2.303653 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=3) 0 -15.516790 29.136758 -2.414494 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=3) 0 -14.619533 29.586863 -2.536842 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=3) 0 -15.981905 29.149694 -1.516282 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=3) 0 -16.363393 22.605181 -5.861717 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=3) 0 -16.720425 21.720667 -6.635914 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=4) 0 -16.830613 22.736431 -4.615088 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=4) 0 -16.422536 23.495565 -4.078789 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=4) 0 -17.769574 21.888185 -3.850053 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=4) 0 -17.356861 21.877415 -2.841696 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=4) 0 -19.157862 22.531042 -3.710500 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=4) 0 -19.050276 23.598296 -3.509651 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=4) 0 -19.725293 22.404894 -4.627876 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=4) 0 -19.919266 21.884673 -2.546105 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=4) 0 -19.908190 20.798539 -2.644225 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=4) 0 -19.430358 22.155227 -1.610484 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=4) 0 -21.375571 22.341232 -2.522431 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=4) 0 -21.419541 23.429700 -2.449643 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=4) 0 -21.840317 22.023924 -3.456256 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=4) 0 -22.086238 21.735697 -1.387173 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=4) 0 -21.519395 21.395437 -0.616139 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=4) 0 -23.388964 21.621778 -1.239469 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=4) 0 -24.237802 22.077127 -2.110187 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=4) 0 -23.910086 22.509258 -2.969423 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=4) 0 -25.225793 21.972007 -1.927178 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=4) 0 -23.890810 21.031890 -0.199166 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=4) 0 -23.301165 20.584468 0.494735 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=4) 0 -24.897377 20.940852 -0.165321 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=4) 0 -17.806992 20.406092 -4.229355 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=4) 0 -17.097736 19.631107 -3.598948 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=5) 0 -18.607479 20.000546 -5.217139 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=5) 0 -19.128955 20.698876 -5.736359 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=5) 0 -18.735560 18.599396 -5.637719 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=5) 0 -18.857413 17.992907 -4.737994 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=5) 0 -20.015750 18.452427 -6.470294 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=5) 0 -19.914263 18.998668 -7.407807 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=5) 0 -20.193276 17.398901 -6.690729 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=5) 0 -20.869562 18.841866 -5.914550 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=5) 0 -17.488865 18.037554 -6.362059 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=5) 0 -17.523697 16.908710 -6.857015 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=6) 0 -16.404659 18.815302 -6.438869 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=6) 0 -16.510793 19.779045 -6.153269 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=6) 0 -15.087200 18.398185 -6.917924 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=6) 0 -15.101123 17.316180 -7.053453 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=6) 0 -14.842865 19.089209 -8.275430 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=6) 0 -15.796383 19.290003 -8.768242 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=6) 0 -14.366398 20.052118 -8.093232 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=6) 0 -13.978087 18.255136 -9.234751 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=6) 0 -13.112549 17.844418 -8.717582 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=6) 0 -14.795482 17.113396 -9.832259 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=6) 0 -15.665918 17.508612 -10.349380 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=6) 0 -14.182930 16.554658 -10.534955 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=6) 0 -15.128206 16.436950 -9.047445 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=6) 0 -13.482865 19.132179 -10.380804 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=6) 0 -12.795417 19.878374 -9.990914 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=6) 0 -12.951865 18.515305 -11.104511 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=6) 0 -14.320136 19.628239 -10.868188 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=6) 0 -13.946073 18.690559 -5.918636 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=6) 0 -12.783393 18.430281 -6.235935 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=7) 0 -14.225043 19.248893 -4.732914 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=7) 0 -15.191497 19.257033 -4.422324 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=7) 0 -13.212124 19.849274 -3.851513 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=7) 0 -12.223313 19.494133 -4.146234 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=7) 0 -13.256106 21.376189 -4.062234 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=7) 0 -13.055630 21.588193 -5.112598 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=7) 0 -14.264467 21.720328 -3.831600 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=7) 0 -12.271030 22.185702 -3.198228 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=7) 0 -12.484713 22.025656 -2.141709 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=7) 0 -10.819394 21.806805 -3.475582 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=7) 0 -10.595987 21.892711 -4.537886 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=7) 0 -10.163268 22.471781 -2.921241 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=7) 0 -10.621063 20.787829 -3.146086 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=7) 0 -12.436270 23.675629 -3.494030 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=7) 0 -13.459576 23.982940 -3.285003 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=7) 0 -11.766450 24.252586 -2.856136 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=7) 0 -12.197140 23.876529 -4.536331 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=7) 0 -13.402915 19.495052 -2.368210 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=7) 0 -14.390584 19.897363 -1.749572 L N-N--0.415700(PDBName=N,ResName=CYS,ResNum=8) 0 -12.393815 18.865925 -1.762541 L H-H-0.271900(PDBName=H,ResName=CYS,ResNum=8) 0 -11.609118 18.552956 -2.325409 L C-CT-0.021300(PDBName=CA,ResName=CYS,ResNum=8) 0 -12.298130 18.715913 -0.311319 L H-H1-0.112400(PDBName=HA,ResName=CYS,ResNum=8) 0 -13.246679 18.325681 0.062907 L C-CT--0.123100(PDBName=CB,ResName=CYS,ResNum=8) 0 -11.195689 17.708115 0.023648 L H-H1-0.111200(PDBName=HB2,ResName=CYS,ResNum=8) 0 -11.300378 16.831922 -0.610525 L H-H1-0.111200(PDBName=HB3,ResName=CYS,ResNum=8) 0 -10.212741 18.147810 -0.152874 L S-SH--0.311900(PDBName=SG,ResName=CYS,ResNum=8) 0 -11.352066 17.224092 1.765937 L H-HS-0.193300(PDBName=HG,ResName=CYS,ResNum=8) 0 -12.434643 16.444721 1.601665 L C-C-0.597300(PDBName=C,ResName=CYS,ResNum=8) 0 -12.022889 20.076981 0.345261 L O-O--0.567900(PDBName=O,ResName=CYS,ResNum=8) 0 -10.895075 20.574989 0.333602 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=9) 0 -13.056576 20.700623 0.904576 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=9) 0 -13.959747 20.242644 0.893564 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=9) 0 -12.978526 22.025904 1.514455 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=9) 0 -12.154111 22.567219 1.050405 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=9) 0 -14.296746 22.755253 1.207718 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=9) 0 -14.652469 22.473461 0.214803 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=9) 0 -15.044786 22.431847 1.931425 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=9) 0 -14.167629 24.280094 1.258258 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=9) 0 -13.626710 24.564611 2.157234 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=9) 0 -13.442456 24.825249 0.023973 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=9) 0 -13.992657 24.591519 -0.880975 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=9) 0 -13.337530 25.904937 0.101140 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=9) 0 -12.448121 24.392203 -0.062256 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=9) 0 -15.559062 24.896649 1.325928 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=9) 0 -16.025234 24.619275 2.270221 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=9) 0 -15.481400 25.978986 1.277678 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=9) 0 -16.173482 24.536208 0.504368 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=9) 0 -12.684507 21.926201 3.020526 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=9) 0 -13.112064 20.964946 3.661785 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=10) 0 -11.983389 22.909846 3.591906 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=10) 0 -11.670920 23.680952 3.013427 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=10) 0 -11.621162 22.950613 5.013230 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=10) 0 -11.317801 21.952575 5.330392 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=10) 0 -10.411668 23.884097 5.170699 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=10) 0 -10.675528 24.900150 4.874854 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=10) 0 -10.087556 23.886448 6.212069 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=10) 0 -9.588155 23.535660 4.547058 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=10) 0 -12.823439 23.379053 5.878389 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=10) 0 -13.035125 24.573088 6.113325 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=11) 0 -13.683069 22.428490 6.262325 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=11) 0 -13.454770 21.462250 6.039885 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=11) 0 -15.040354 22.720796 6.767080 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=11) 0 -14.979557 23.593946 7.416430 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=11) 0 -15.907831 23.096120 5.537631 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=11) 0 -15.269865 23.629189 4.831108 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=11) 0 -16.455364 21.888951 4.772790 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=11) 0 -17.358955 21.495447 5.234717 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=11) 0 -16.682073 22.187010 3.754513 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=11) 0 -15.701238 21.103476 4.734140 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=11) 0 -17.013967 24.097400 5.879730 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=11) 0 -16.585020 24.958308 6.393253 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=11) 0 -17.473685 24.447926 4.958565 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=11) 0 -17.782299 23.652217 6.503832 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=11) 0 -15.607951 21.567418 7.626234 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=11) 0 -14.843838 20.735671 8.122036 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=12) 0 -16.927880 21.531188 7.846246 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=12) 0 -17.485801 22.280027 7.469108 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=12) 0 -17.659953 20.410310 8.441554 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=12) 0 -17.025766 19.521712 8.441753 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=12) 0 -17.979392 20.759269 9.901829 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=12) 0 -18.589273 21.662333 9.951972 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=12) 0 -18.523931 19.933684 10.362002 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=12) 0 -17.051848 20.916864 10.453781 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=12) 0 -18.920542 20.068593 7.613307 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=12) 0 -20.013713 20.589936 7.857803 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=13) 0 -18.767622 19.217044 6.601135 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=13) 0 -17.826600 18.873290 6.422073 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=13) 0 -19.836239 18.648747 5.774143 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=13) 0 -20.803766 18.968382 6.158354 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=13) 0 -19.690456 19.190299 4.346134 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=13) 0 -18.722795 18.897899 3.933592 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=13) 0 -20.480329 18.786757 3.711728 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=13) 0 -19.761214 20.278398 4.353215 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=13) 0 -19.807278 17.107835 5.824776 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=13) 0 -18.756619 16.526689 6.107292 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=14) 0 -20.944264 16.453453 5.553567 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=14) 0 -21.756274 17.020707 5.351418 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=14) 0 -21.153018 14.993481 5.592185 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=14) 0 -22.229858 14.837034 5.516239 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=14) 0 -20.564660 14.366839 4.310382 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=14) 0 -21.139700 14.751179 3.466306 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=14) 0 -19.548674 14.728400 4.185400 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=14) 0 -20.526895 12.830676 4.207338 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=14) 0 -19.860457 12.429185 4.965974 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=14) 0 -21.896253 12.182880 4.387236 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=14) 0 -22.570653 12.519966 3.605256 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=14) 0 -21.795191 11.099098 4.320819 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=14) 0 -22.308143 12.425147 5.365745 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=14) 0 -19.974432 12.455721 2.831056 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=14) 0 -18.948812 12.811706 2.735086 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=14) 0 -19.982186 11.375685 2.707027 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=14) 0 -20.580076 12.902602 2.046507 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=14) 0 -20.770162 14.349767 6.946678 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=14) 0 -21.637237 14.236315 7.815531 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=15) 0 -19.507010 13.980661 7.163330 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=15) 0 -18.848093 14.140824 6.408675 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=15) 0 -18.948723 13.504608 8.448598 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=15) 0 -19.476448 14.000165 9.264152 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=15) 0 -19.159730 11.979973 8.595952 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=15) 0 -20.212534 11.773009 8.406782 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=15) 0 -18.336154 11.144185 7.609837 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=15) 0 -17.272827 11.296340 7.784690 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=15) 0 -18.560094 10.085818 7.745798 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=15) 0 -18.578378 11.419549 6.586410 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=15) 0 -18.859958 11.494809 10.014959 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=15) 0 -19.471369 12.046870 10.724144 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=15) 0 -19.103960 10.435787 10.097538 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=15) 0 -17.807998 11.625975 10.261347 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=15) 0 -17.466237 13.888999 8.554461 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=15) 0 -16.805763 14.024100 7.521499 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=16) 0 -16.907231 14.075275 9.757203 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=16) 0 -17.486681 13.975884 10.585937 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=16) 0 -15.461862 14.323863 9.931778 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=16) 0 -15.198270 15.214851 9.363337 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=16) 0 -15.141366 14.577839 11.415075 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=16) 0 -15.847541 15.298016 11.822592 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=16) 0 -15.274032 13.643084 11.959713 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=16) 0 -13.718706 15.121029 11.653037 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=16) 0 -13.007240 14.679718 10.962561 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=16) 0 -13.713048 16.201835 11.507006 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=16) 0 -13.250699 14.781798 13.067245 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=16) 0 -13.907882 15.274439 13.780550 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=16) 0 -13.332195 13.704736 13.220639 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=16) 0 -11.864713 15.207130 13.319672 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=16) 0 -11.738160 15.991322 13.948640 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=16) 0 -10.768902 14.532105 13.030433 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=16) 0 -10.755434 13.429305 12.345108 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=16) 0 -11.617878 12.985703 12.047274 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=16) 0 -9.893894 12.907799 12.301839 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=16) 0 -9.609072 14.938984 13.444099 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=16) 0 -9.538991 15.691647 14.114716 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=16) 0 -8.832741 14.303785 13.315293 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=16) 0 -14.625941 13.145890 9.410425 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=16) 0 -14.989227 11.989918 9.627317 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=17) 0 -13.464834 13.443240 8.824962 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=17) 0 -13.256532 14.420189 8.659068 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=17) 0 -12.410637 12.474212 8.525138 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=17) 0 -12.779603 11.817272 7.742167 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=17) 0 -11.197656 13.240174 7.986543 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=17) 0 -10.795217 13.898324 8.758089 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=17) 0 -10.419927 12.543730 7.669993 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=17) 0 -11.498068 13.837437 7.126865 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=17) 0 -12.038089 11.571841 9.720980 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=17) 0 -12.444339 11.817158 10.857165 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=18) 0 -11.297101 10.497382 9.443252 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=18) 0 -10.966067 10.420648 8.491098 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=18) 0 -11.254234 9.237808 10.208316 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=18) 0 -10.521434 8.615399 9.695339 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=18) 0 -10.704163 9.419821 11.632787 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=18) 0 -9.745236 9.935811 11.581723 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=18) 0 -11.386239 10.026481 12.226442 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=18) 0 -10.516259 8.070297 12.328937 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=18) 0 -9.559348 7.344883 11.975087 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=18) 0 -11.330984 7.736069 13.227571 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=18) 0 -12.565187 8.427702 10.162257 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=18) 0 -12.504923 7.199914 10.194374 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=19) 0 -13.730327 9.054315 9.968597 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=19) 0 -13.745157 10.065438 9.977436 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=19) 0 -14.895971 8.379040 9.402214 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=19) 0 -14.812023 7.307150 9.564913 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=19) 0 -16.175882 8.802133 10.127255 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=19) 0 -16.360428 9.861726 9.972804 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=19) 0 -17.021437 8.241282 9.726911 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=19) 0 -16.086912 8.597612 11.192735 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=19) 0 -14.961402 8.662275 7.888478 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=19) 0 -15.234275 9.796493 7.488923 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=20) 0 -14.722298 7.664459 7.024745 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=20) 0 -14.144320 6.368511 7.339951 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=20) 0 -14.795038 5.796999 8.002577 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=20) 0 -13.164664 6.501972 7.795541 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=20) 0 -14.001416 5.640672 6.008341 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=20) 0 -14.785784 4.889957 5.914771 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=20) 0 -13.014634 5.196533 5.934790 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=20) 0 -14.196488 6.719533 4.948109 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=20) 0 -14.574585 6.310731 4.010776 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=20) 0 -13.247416 7.224504 4.775009 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=20) 0 -15.168893 7.681993 5.637203 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=20) 0 -15.092850 8.674049 5.191584 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=20) 0 -16.635280 7.213004 5.615811 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=20) 0 -17.328313 7.249016 6.639567 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=21) 0 -17.122673 6.690066 4.490877 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=21) 0 -16.539142 6.644854 3.670785 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=21) 0 -18.295979 5.821168 4.569298 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=21) 0 -18.933834 6.260755 5.322488 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=21) 0 -19.093823 5.819978 3.259683 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=21) 0 -19.170454 6.843526 2.893704 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=21) 0 -18.571589 5.229129 2.506896 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=21) 0 -20.516135 5.275909 3.458825 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=21) 0 -21.082019 5.470150 2.547003 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=21) 0 -20.462555 4.197033 3.613471 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=21) 0 -21.222755 5.929037 4.656109 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=21) 0 -21.723828 7.071639 4.533381 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=21) 0 -21.104144 5.396780 5.787213 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=21) 0 -17.896260 4.425403 5.075586 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=21) 0 -16.908075 3.870839 4.603592 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=22) 0 -18.613154 3.867710 6.057346 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=22) 0 -19.480667 4.315466 6.336583 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=22) 0 -18.267846 2.594435 6.715287 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=22) 0 -17.904124 1.918542 5.947440 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=22) 0 -17.112865 2.762187 7.725346 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=22) 0 -16.963037 1.804743 8.226821 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=22) 0 -16.193833 2.990792 7.186984 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=22) 0 -17.318619 3.852266 8.783200 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=22) 0 -17.095198 4.829239 8.349854 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=22) 0 -18.358045 3.858583 9.103987 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=22) 0 -16.424670 3.599823 9.999254 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=22) 0 -15.204450 3.876053 9.946863 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=22) 0 -16.940554 3.116138 11.041171 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=22) 0 -19.470823 1.890589 7.379268 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=22) 0 -20.385927 2.537867 7.896222 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=23) 0 -19.448710 0.555770 7.376273 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=23) 0 -18.635842 0.103828 6.959018 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=23) 0 -20.424868 -0.369426 7.975793 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=23) 0 -21.003746 0.133877 8.751178 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=23) 0 -21.372548 -0.935792 6.900287 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=23) 0 -20.761425 -1.389769 6.119923 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=23) 0 -21.975785 -1.724770 7.351407 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=23) 0 -22.326596 0.089343 6.261875 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=23) 0 -23.049523 0.405739 7.014310 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=23) 0 -21.758333 0.966352 5.952132 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=23) 0 -23.072246 -0.454083 5.028163 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=23) 0 -22.933855 -1.658060 4.684762 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=23) 0 -23.794019 0.335226 4.371857 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=23) 0 -19.644544 -1.539592 8.599243 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=23) 0 -18.712100 -2.038543 7.975231 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=24) 0 -19.976398 -1.982914 9.817768 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=24) 0 -20.777612 -1.577368 10.276499 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=24) 0 -19.128751 -2.903857 10.611227 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=24) 0 -19.545683 -2.932754 11.618825 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=24) 0 -19.184562 -4.345334 10.068170 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=24) 0 -18.758239 -4.385762 9.065026 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=24) 0 -18.571043 -4.972767 10.712346 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=24) 0 -20.581854 -4.949527 10.056622 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=24) 0 -21.052500 -5.380295 8.974625 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=24) 0 -21.182294 -5.087612 11.143119 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=24) 0 -17.666742 -2.415902 10.775507 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=24) 0 -16.740334 -3.213960 10.930575 L N-N--0.415700(PDBName=N,ResName=HID,ResNum=25) 0 -17.437225 -1.101413 10.695763 L H-H-0.271900(PDBName=H,ResName=HID,ResNum=25) 0 -18.247062 -0.492983 10.620274 L C-CT-0.018800(PDBName=CA,ResName=HID,ResNum=25) 0 -16.128774 -0.447585 10.546475 L H-H1-0.088100(PDBName=HA,ResName=HID,ResNum=25) 0 -16.346403 0.608707 10.401019 L C-CT--0.046200(PDBName=CB,ResName=HID,ResNum=25) 0 -15.320003 -0.538166 11.847946 L H-HC-0.040200(PDBName=HB2,ResName=HID,ResNum=25) 0 -15.015500 -1.571315 12.019128 L H-HC-0.040200(PDBName=HB3,ResName=HID,ResNum=25) 0 -14.416657 0.063632 11.750357 L C-CC--0.026600(PDBName=CG,ResName=HID,ResNum=25) 0 -16.090583 -0.040791 13.041573 L N-NA--0.381100(PDBName=ND1,ResName=HID,ResNum=25) 0 -16.716805 1.179260 13.152494 L H-H-0.364900(PDBName=HD1,ResName=HID,ResNum=25) 0 -16.776183 1.890127 12.425328 L C-CR-0.205700(PDBName=CE1,ResName=HID,ResNum=25) 0 -17.320784 1.233045 14.349746 L H-H5-0.139200(PDBName=HE1,ResName=HID,ResNum=25) 0 -17.908720 2.068293 14.712629 L N-NB--0.572700(PDBName=NE2,ResName=HID,ResNum=25) 0 -17.093510 0.098877 15.034659 L C-CV-0.129200(PDBName=CD2,ResName=HID,ResNum=25) 0 -16.332578 -0.727802 14.198038 L H-H4-0.114700(PDBName=HD2,ResName=HID,ResNum=25) 0 -15.998298 -1.733056 14.420343 L C-C-0.597300(PDBName=C,ResName=HID,ResNum=25) 0 -15.326986 -0.836495 9.290832 L O-O--0.567900(PDBName=O,ResName=HID,ResNum=25) 0 -14.198400 -0.364785 9.122576 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=26) 0 -15.912509 -1.619236 8.381713 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=26) 0 -16.860701 -1.933566 8.565525 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=26) 0 -15.406371 -1.855206 7.028638 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=26) 0 -14.322549 -1.930238 7.075000 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=26) 0 -15.960078 -3.168880 6.435779 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=26) 0 -17.027711 -3.064943 6.245073 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=26) 0 -15.265887 -3.480874 5.110066 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=26) 0 -14.191418 -3.571496 5.262541 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=26) 0 -15.653047 -4.418404 4.709941 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=26) 0 -15.466555 -2.687438 4.395721 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=26) 0 -15.751859 -4.383380 7.348951 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=26) 0 -16.180008 -5.270566 6.880835 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=26) 0 -14.689588 -4.548078 7.518245 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=26) 0 -16.255484 -4.228004 8.302333 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=26) 0 -15.804848 -0.659908 6.159953 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=26) 0 -16.983766 -0.312207 6.081255 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=27) 0 -14.843635 -0.002457 5.510158 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=27) 0 -13.890658 -0.336068 5.602646 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=27) 0 -15.105955 1.201104 4.718389 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=27) 0 -15.690966 1.874409 5.338852 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=27) 0 -13.819937 1.951583 4.317701 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=27) 0 -13.470827 1.547334 3.371462 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=27) 0 -14.112591 2.985527 4.133650 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=27) 0 -12.608207 1.953446 5.266209 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=27) 0 -12.150838 0.971555 5.256681 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=27) 0 -11.559641 2.912050 4.706219 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=27) 0 -11.959331 3.916547 4.615212 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=27) 0 -10.684889 2.924641 5.355761 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=27) 0 -11.264251 2.571513 3.715040 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=27) 0 -12.933404 2.303549 6.716849 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=27) 0 -13.365599 1.434868 7.210154 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=27) 0 -12.024901 2.587245 7.244684 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=27) 0 -13.649517 3.115302 6.768773 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=27) 0 -15.938049 0.840469 3.478101 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=27) 0 -15.504162 0.037564 2.656521 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=28) 0 -17.122375 1.420185 3.309360 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=28) 0 -17.370533 2.172784 3.941204 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=28) 0 -18.040903 1.080985 2.211442 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=28) 0 -17.806746 0.073006 1.866228 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=28) 0 -19.508577 1.054525 2.658966 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=28) 0 -19.887581 2.063738 2.808613 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=28) 0 -20.352037 0.330263 1.613925 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=28) 0 -21.406244 0.376524 1.887236 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=28) 0 -20.228299 0.784434 0.631479 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=28) 0 -20.037084 -0.708543 1.572934 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=28) 0 -19.659554 0.280793 3.963486 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=28) 0 -19.474858 0.959740 4.784308 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=28) 0 -20.669062 -0.103334 4.051463 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=28) 0 -18.947164 -0.540923 4.009646 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=28) 0 -17.787223 2.022389 1.046999 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=28) 0 -18.483982 3.023299 0.861179 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=29) 0 -16.712304 1.735629 0.315759 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=29) 0 -16.216811 0.877014 0.522943 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=29) 0 -16.141735 2.662247 -0.655411 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=29) 0 -16.275633 3.668310 -0.257197 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=29) 0 -14.627169 2.439775 -0.804269 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=29) 0 -14.452196 1.444575 -1.214772 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=29) 0 -14.239609 3.175368 -1.511111 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=29) 0 -13.857139 2.577402 0.523860 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=29) 0 -14.155610 1.768326 1.183159 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=29) 0 -12.354629 2.452446 0.282232 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=29) 0 -12.007334 3.273534 -0.342722 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=29) 0 -11.822707 2.478026 1.232345 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=29) 0 -12.137721 1.505562 -0.210842 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=29) 0 -14.126090 3.901477 1.242603 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=29) 0 -15.147376 3.924029 1.621169 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=29) 0 -13.457222 4.003062 2.094234 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=29) 0 -13.973415 4.734555 0.555684 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=29) 0 -16.903516 2.655347 -1.980502 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=29) 0 -17.492469 1.653491 -2.391721 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=30) 0 -16.914615 3.826828 -2.608696 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=30) 0 -16.321303 4.552482 -2.214889 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=30) 0 -17.762009 4.230675 -3.730192 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=30) 0 -18.390139 3.397107 -4.037798 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=30) 0 -18.635182 5.424233 -3.279126 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=30) 0 -18.097231 6.005226 -2.529290 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=30) 0 -18.782352 6.081407 -4.131978 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=30) 0 -20.038471 5.115361 -2.741490 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=30) 0 -20.459298 6.035402 -2.333493 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=30) 0 -20.675617 4.818283 -3.566312 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=30) 0 -20.105584 4.031805 -1.670634 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=30) 0 -19.582885 3.139194 -2.011233 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=30) 0 -19.626745 4.416060 -0.771052 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=30) 0 -21.505450 3.669260 -1.413560 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=30) 0 -22.145593 3.694075 -2.199635 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=30) 0 -22.057666 3.337666 -0.268555 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=30) 0 -21.391355 3.285775 0.840922 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=30) 0 -20.388711 3.407692 0.839341 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=30) 0 -21.934515 3.270115 1.701760 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=30) 0 -23.320592 3.052111 -0.225670 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=30) 0 -23.864298 3.115666 -1.074272 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=30) 0 -23.703111 2.657661 0.629206 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=30) 0 -16.910762 4.632139 -4.930643 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=30) 0 -15.778647 5.086640 -4.760289 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=31) 0 -17.489873 4.601089 -6.135542 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=31) 0 -18.437591 4.226028 -6.184429 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=31) 0 -16.876392 5.200677 -7.343412 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=31) 0 -15.891418 4.746869 -7.470515 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=31) 0 -17.682165 4.855551 -8.614078 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=31) 0 -17.214375 5.339391 -9.471962 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=31) 0 -17.628437 3.776614 -8.767543 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=31) 0 -19.160861 5.264698 -8.549660 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=31) 0 -19.616629 4.734713 -7.723446 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=31) 0 -19.242069 6.335596 -8.369389 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=31) 0 -19.973452 4.891488 -9.791948 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=31) 0 -19.695822 3.890766 -10.121956 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=31) 0 -21.027527 4.867784 -9.512285 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=31) 0 -19.791671 5.899022 -10.929705 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=31) 0 -20.079273 6.892250 -10.571953 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=31) 0 -18.739097 5.922320 -11.225850 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=31) 0 -20.634427 5.524106 -12.084371 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=31) 0 -21.618064 5.454602 -11.831117 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=31) 0 -20.554210 6.181926 -12.856881 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=31) 0 -20.358210 4.611557 -12.443394 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=31) 0 -16.576109 6.706151 -7.200243 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=31) 0 -15.793248 7.240612 -7.980049 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=32) 0 -17.091399 7.378760 -6.165908 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=32) 0 -17.774665 6.916115 -5.586798 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=32) 0 -16.604514 8.684731 -5.702837 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=32) 0 -16.449555 9.326624 -6.570983 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=32) 0 -17.648127 9.369955 -4.810107 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=32) 0 -17.203401 10.256127 -4.356103 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=32) 0 -18.500951 9.680058 -5.407950 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=32) 0 -18.097060 8.511593 -3.784286 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=32) 0 -18.438204 9.084129 -3.058432 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=32) 0 -15.272946 8.620747 -4.937444 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=32) 0 -14.316331 9.277907 -5.348940 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=33) 0 -15.222405 7.887892 -3.818550 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=33) 0 -16.007876 7.270123 -3.663017 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=33) 0 -14.468401 8.271349 -2.612625 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=33) 0 -14.075057 9.273956 -2.777557 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=33) 0 -15.457670 8.359431 -1.428423 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=33) 0 -14.979871 8.903153 -0.618446 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=33) 0 -16.332235 8.930338 -1.728145 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=33) 0 -15.916942 7.015779 -0.872600 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=33) 0 -15.577237 5.947687 -1.351734 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=33) 0 -16.724065 7.005141 0.159386 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=33) 0 -17.019954 6.111696 0.504535 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=33) 0 -17.050049 7.873480 0.573689 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=33) 0 -13.240557 7.404933 -2.266779 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=33) 0 -12.739980 7.476947 -1.138559 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=34) 0 -12.787566 6.554447 -3.189175 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=34) 0 -13.277576 6.512076 -4.071263 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=34) 0 -11.788938 5.526661 -2.894109 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=34) 0 -12.118553 4.983574 -2.007744 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=34) 0 -11.732838 4.534352 -4.051001 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=34) 0 -12.724220 4.098926 -4.172531 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=34) 0 -11.478182 5.055651 -4.974914 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=34) 0 -10.731659 3.427360 -3.804265 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=34) 0 -11.077870 2.359872 -2.959455 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=34) 0 -12.061483 2.319495 -2.520588 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=34) 0 -10.147097 1.347271 -2.684657 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=34) 0 -10.415364 0.539871 -2.022622 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=34) 0 -8.874019 1.387529 -3.277440 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=34) 0 -8.156258 0.606835 -3.081292 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=34) 0 -8.532475 2.441496 -4.139323 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=34) 0 -7.564713 2.448556 -4.619057 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=34) 0 -9.454328 3.471427 -4.392217 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=34) 0 -9.185497 4.282480 -5.054884 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=34) 0 -10.395335 6.080776 -2.572851 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=34) 0 -9.863355 5.806871 -1.496335 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=35) 0 -9.807541 6.893263 -3.455992 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=35) 0 -10.250886 7.067813 -4.347924 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=35) 0 -8.497358 7.488958 -3.188317 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=35) 0 -7.796115 6.686360 -2.954934 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=35) 0 -8.002062 8.187689 -4.450261 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=35) 0 -8.646719 9.034638 -4.677208 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=35) 0 -6.984570 8.542398 -4.285233 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=35) 0 -8.000139 7.491152 -5.287969 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=35) 0 -8.527318 8.438244 -1.973873 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=35) 0 -7.554549 8.514772 -1.233296 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=36) 0 -9.667048 9.072338 -1.688370 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=36) 0 -10.418527 9.018571 -2.366502 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=36) 0 -9.916274 9.843063 -0.464154 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=36) 0 -9.135569 10.595838 -0.349693 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=36) 0 -11.258693 10.560768 -0.655423 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=36) 0 -11.143859 11.299046 -1.449379 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=36) 0 -11.991818 9.830404 -0.987577 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=36) 0 -11.847221 11.270994 0.563081 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=36) 0 -11.800407 10.636228 1.444115 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=36) 0 -11.282913 12.179197 0.770024 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=36) 0 -13.308954 11.592633 0.267922 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=36) 0 -13.576137 12.463734 -0.591998 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=36) 0 -14.210863 10.953075 0.862238 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=36) 0 -9.917176 8.963329 0.802192 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=36) 0 -9.538746 9.433856 1.879066 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=37) 0 -10.309788 7.690146 0.707999 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=37) 0 -10.626893 7.342274 -0.190683 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=37) 0 -10.188744 6.734479 1.807980 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=37) 0 -10.503628 7.210454 2.733605 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=37) 0 -11.123853 5.553380 1.566797 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=37) 0 -12.136296 5.924752 1.415725 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=37) 0 -10.806108 4.991684 0.691057 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=37) 0 -11.106495 4.894157 2.433869 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=37) 0 -8.734867 6.299390 2.007683 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=37) 0 -8.258199 6.309534 3.142279 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=38) 0 -7.998427 6.032139 0.921909 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=38) 0 -8.459174 6.034558 0.016641 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=38) 0 -6.550604 5.806433 0.987349 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=38) 0 -6.357084 4.961568 1.649070 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=38) 0 -5.988638 5.480660 -0.411538 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=38) 0 -6.117560 6.352740 -1.051198 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=38) 0 -4.920112 5.308537 -0.288068 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=38) 0 -6.548124 4.272332 -1.176372 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=38) 0 -7.564571 4.483187 -1.503065 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=38) 0 -5.668841 4.046445 -2.407227 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=38) 0 -4.642835 3.827073 -2.109502 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=38) 0 -6.054538 3.208935 -2.984546 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=38) 0 -5.671850 4.941549 -3.027726 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=38) 0 -6.552983 3.001146 -0.337429 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=38) 0 -7.275316 3.111739 0.462002 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=38) 0 -6.854945 2.155781 -0.955760 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=38) 0 -5.563587 2.825139 0.084417 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=38) 0 -5.818292 7.028254 1.582604 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=38) 0 -4.933960 6.883741 2.426512 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=39) 0 -6.206152 8.240873 1.189791 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=39) 0 -6.881680 8.303605 0.435213 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=39) 0 -5.604019 9.486983 1.655794 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=39) 0 -4.522124 9.363893 1.626688 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=39) 0 -5.971523 10.596257 0.668081 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=39) 0 -7.046806 10.762879 0.670179 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=39) 0 -5.461536 11.521029 0.941015 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=39) 0 -5.659910 10.306400 -0.335156 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=39) 0 -5.974111 9.852083 3.106287 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=39) 0 -5.358819 10.749495 3.683417 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=40) 0 -6.937434 9.157529 3.720327 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=40) 0 -7.443608 8.472414 3.176200 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=40) 0 -7.264811 9.273671 5.143779 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=40) 0 -6.833717 10.191247 5.548662 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=40) 0 -8.783535 9.388925 5.275270 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=40) 0 -9.260928 8.483357 4.899587 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=40) 0 -9.041664 9.525099 6.325862 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=40) 0 -9.139214 10.251557 4.711393 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=40) 0 -6.710689 8.105190 5.982781 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=40) 0 -6.330299 8.310851 7.134593 L N-N--0.415700(PDBName=N,ResName=HID,ResNum=41) 0 -6.619446 6.900511 5.409660 L H-H-0.271900(PDBName=H,ResName=HID,ResNum=41) 0 -6.974405 6.794880 4.465558 L C-CT-0.018800(PDBName=CA,ResName=HID,ResNum=41) 0 -6.201912 5.669380 6.085286 L H-H1-0.088100(PDBName=HA,ResName=HID,ResNum=41) 0 -5.902708 5.897002 7.106776 L C-CT--0.046200(PDBName=CB,ResName=HID,ResNum=41) 0 -7.393955 4.708537 6.158920 L H-HC-0.040200(PDBName=HB2,ResName=HID,ResNum=41) 0 -7.690138 4.425455 5.149355 L H-HC-0.040200(PDBName=HB3,ResName=HID,ResNum=41) 0 -7.086022 3.805059 6.685731 L C-CC--0.026600(PDBName=CG,ResName=HID,ResNum=41) 0 -8.584106 5.306454 6.863492 L N-NA--0.381100(PDBName=ND1,ResName=HID,ResNum=41) 0 -8.674795 5.595048 8.204781 L H-H-0.364900(PDBName=HD1,ResName=HID,ResNum=41) 0 -7.943539 5.457480 8.902793 L C-CR-0.205700(PDBName=CE1,ResName=HID,ResNum=41) 0 -9.882355 6.128067 8.436816 L H-H5-0.139200(PDBName=HE1,ResName=HID,ResNum=41) 0 -10.238605 6.433992 9.412638 L N-NB--0.572700(PDBName=NE2,ResName=HID,ResNum=41) 0 -10.580286 6.227834 7.290722 L C-CV-0.129200(PDBName=CD2,ResName=HID,ResNum=41) 0 -9.758413 5.703425 6.285138 L H-H4-0.114700(PDBName=HD2,ResName=HID,ResNum=41) 0 -9.997965 5.632633 5.233031 L C-C-0.597300(PDBName=C,ResName=HID,ResNum=41) 0 -5.000345 5.047559 5.365408 L O-O--0.567900(PDBName=O,ResName=HID,ResNum=41) 0 -5.137931 4.410471 4.318381 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=42) 0 -3.799565 5.259975 5.917664 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=42) 0 -3.778477 5.733676 6.817728 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=42) 0 -2.518401 5.068151 5.207855 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=42) 0 -2.601569 5.543738 4.229917 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=42) 0 -1.385537 5.778431 5.972344 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=42) 0 -1.562740 5.722382 7.047592 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=42) 0 -0.440526 5.268657 5.772829 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=42) 0 -1.204423 7.245163 5.544580 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=42) 0 -0.397942 7.670624 6.143554 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=42) 0 -0.889920 7.259877 4.500454 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=42) 0 -2.448454 8.137089 5.684862 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=42) 0 -3.228644 7.804179 4.998674 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=42) 0 -2.815954 8.099387 6.710750 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=42) 0 -2.052472 9.571493 5.336680 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=42) 0 -1.264933 9.891145 6.025009 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=42) 0 -1.634298 9.590501 4.327653 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=42) 0 -3.192747 10.508439 5.424853 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=42) 0 -3.620052 10.484447 6.345656 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=42) 0 -2.883237 11.466053 5.299439 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=42) 0 -3.898046 10.346946 4.713281 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=42) 0 -2.163195 3.615012 4.871952 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=42) 0 -1.297171 3.411867 4.024765 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=43) 0 -2.866904 2.638202 5.448720 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=43) 0 -3.573373 2.908418 6.114365 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=43) 0 -2.823405 1.222793 5.065496 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=43) 0 -2.322790 1.121264 4.100807 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=43) 0 -2.049992 0.402671 6.111163 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=43) 0 -2.661319 0.323743 7.007380 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=43) 0 -1.904091 -0.600538 5.718243 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=43) 0 -0.711077 0.989678 6.503524 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=43) 0 0.235698 1.275388 5.505528 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=43) 0 0.046249 1.000686 4.477378 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=43) 0 1.365262 2.045735 5.818648 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=43) 0 2.040868 2.339309 5.034304 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=43) 0 1.579616 2.490937 7.138914 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=43) 0 2.616842 3.320173 7.408864 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=43) 0 2.987879 3.641366 6.563211 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=43) 0 0.687040 2.110664 8.160115 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=43) 0 0.855136 2.444101 9.175238 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=43) 0 -0.466354 1.372808 7.837750 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=43) 0 -1.187181 1.158194 8.615540 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=43) 0 -4.248823 0.685322 4.928204 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=43) 0 -5.051125 0.833316 5.855269 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=44) 0 -4.565910 0.053919 3.795781 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=44) 0 -3.872280 -0.022577 3.054308 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=44) 0 -5.923585 -0.404504 3.499763 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=44) 0 -6.436761 -0.564472 4.445463 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=44) 0 -6.667416 0.699940 2.711062 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=44) 0 -5.971534 1.504666 2.466623 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=44) 0 -7.046740 0.305389 1.766733 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=44) 0 -7.833275 1.282481 3.525308 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=44) 0 -7.495709 1.467891 4.543418 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=44) 0 -8.313994 2.609778 2.944205 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=44) 0 -7.467700 3.288944 2.843943 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=44) 0 -8.785323 2.452408 1.974859 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=44) 0 -9.025226 3.071128 3.621947 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=44) 0 -9.019283 0.314734 3.544671 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=44) 0 -8.710974 -0.660300 3.911696 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=44) 0 -9.800931 0.698765 4.195821 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=44) 0 -9.408006 0.190257 2.534895 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=44) 0 -5.938321 -1.746332 2.764513 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=44) 0 -5.279689 -1.899288 1.738658 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=45) 0 -6.730822 -2.699449 3.261402 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=45) 0 -7.220158 -2.508139 4.129905 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=45) 0 -7.080579 -3.924171 2.535286 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=45) 0 -6.423903 -4.012179 1.672320 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=45) 0 -6.869435 -5.156085 3.435615 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=45) 0 -6.074904 -4.959120 4.153168 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=45) 0 -7.786762 -5.322952 3.993767 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=45) 0 -6.527192 -6.438901 2.656548 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=45) 0 -7.175393 -6.522878 1.786557 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=45) 0 -5.075766 -6.431527 2.189040 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=45) 0 -4.396944 -6.396790 3.038758 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=45) 0 -4.876950 -7.332549 1.617467 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=45) 0 -4.907048 -5.574060 1.550093 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=45) 0 -6.707634 -7.673753 3.534420 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=45) 0 -6.560381 -8.570965 2.934955 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=45) 0 -5.986460 -7.661994 4.350557 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=45) 0 -7.720902 -7.696714 3.934262 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=45) 0 -8.519554 -3.819984 2.012064 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=45) 0 -9.425538 -3.435496 2.746669 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=46) 0 -8.762755 -4.184590 0.757802 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=46) 0 -7.982606 -4.539234 0.214568 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=46) 0 -9.997652 -3.880996 0.022044 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=46) 0 -10.723916 -3.437340 0.700234 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=46) 0 -9.730724 -2.849451 -1.093739 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=46) 0 -9.136946 -3.313759 -1.881755 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=46) 0 -11.054087 -2.356287 -1.692717 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=46) 0 -11.654746 -1.856834 -0.933635 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=46) 0 -10.854882 -1.668277 -2.512625 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=46) 0 -11.622894 -3.195570 -2.095778 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=46) 0 -8.953353 -1.622836 -0.588277 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=46) 0 -7.978400 -1.919873 -0.203529 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=46) 0 -8.780395 -0.937351 -1.413888 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=46) 0 -9.506856 -1.114928 0.198626 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=46) 0 -10.604356 -5.157107 -0.556994 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=46) 0 -10.016087 -5.780082 -1.435927 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=47) 0 -11.779130 -5.519907 -0.052398 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=47) 0 -12.181622 -4.920899 0.659548 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=47) 0 -12.696793 -6.532621 -0.572375 L H-HC 1 0.0000 H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=47) 0 -12.132487 -7.393236 -0.933266 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=47) 0 -13.512428 -5.951073 -1.736594 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=47) 0 -14.049564 -4.847863 -1.644298 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=48) 0 -13.660683 -6.716128 -2.813522 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=48) 0 -13.140609 -7.586769 -2.844593 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=48) 0 -14.542864 -6.427712 -3.944105 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=48) 0 -15.154660 -5.556038 -3.723738 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=48) 0 -13.715306 -6.139068 -5.204059 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=48) 0 -13.211201 -7.054627 -5.492222 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=48) 0 -14.403331 -5.889652 -6.012575 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=48) 0 -12.663087 -5.046611 -5.097968 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=48) 0 -12.930037 -3.763648 -5.602436 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=48) 0 -13.904710 -3.550692 -6.006626 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=48) 0 -11.940013 -2.764827 -5.587147 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=48) 0 -12.153716 -1.784261 -5.988502 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=48) 0 -10.671367 -3.046098 -5.052569 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=48) 0 -9.907902 -2.280327 -5.035489 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=48) 0 -10.405926 -4.321522 -4.524384 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=48) 0 -9.446269 -4.539341 -4.085350 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=48) 0 -11.395760 -5.318564 -4.549597 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=48) 0 -11.181397 -6.291656 -4.135001 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=48) 0 -15.459484 -7.639617 -4.140225 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=48) 0 -14.963635 -8.741407 -4.401498 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=49) 0 -16.771714 -7.463947 -3.953886 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=49) 0 -17.127157 -6.520188 -3.828717 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=49) 0 -17.666344 -8.573035 -3.601455 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=49) 0 -17.139407 -9.503820 -3.802071 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=49) 0 -17.952159 -8.541474 -2.091675 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=49) 0 -18.392898 -9.492330 -1.806689 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=49) 0 -17.007543 -8.464545 -1.558128 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=49) 0 -18.894601 -7.465378 -1.592895 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=49) 0 -20.249488 -7.782460 -1.369236 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=49) 0 -20.619929 -8.768631 -1.608291 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=49) 0 -21.116450 -6.820337 -0.821908 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=49) 0 -22.158597 -7.044528 -0.662032 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=49) 0 -20.628017 -5.536308 -0.509467 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=49) 0 -21.445798 -4.636212 0.086149 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=49) 0 -21.092531 -3.728506 0.006241 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=49) 0 -19.285899 -5.201350 -0.778459 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=49) 0 -18.929550 -4.207842 -0.558929 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=49) 0 -18.414602 -6.174625 -1.302988 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=49) 0 -17.375443 -5.935957 -1.478737 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=49) 0 -18.969351 -8.646705 -4.401636 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=49) 0 -19.501336 -7.631491 -4.850408 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=50) 0 -19.502818 -9.866443 -4.522812 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=50) 0 -19.006224 -10.634893 -4.081473 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=50) 0 -20.816180 -10.153283 -5.100912 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=50) 0 -21.232601 -9.226159 -5.494219 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=50) 0 -20.651653 -11.112923 -6.283816 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=50) 0 -20.067934 -10.633947 -7.069592 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=50) 0 -20.139200 -12.020551 -5.965078 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=50) 0 -21.628258 -11.375547 -6.692997 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=50) 0 -21.758427 -10.715508 -4.013979 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=50) 0 -21.440185 -11.744175 -3.397648 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=51) 0 -22.929609 -10.091339 -3.769263 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=51) 0 -23.605700 -9.162549 -4.667114 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=51) 0 -23.507470 -9.462750 -5.711703 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=51) 0 -23.212090 -8.154050 -4.523733 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=51) 0 -25.070694 -9.214191 -4.247804 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=51) 0 -25.548486 -10.097900 -4.671827 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=51) 0 -25.616356 -8.318855 -4.536889 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=51) 0 -24.947271 -9.361065 -2.731245 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=51) 0 -25.858721 -9.772008 -2.296343 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=51) 0 -24.724498 -8.387597 -2.290484 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=51) 0 -23.739014 -10.294494 -2.556233 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=51) 0 -23.173645 -9.987966 -1.675854 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=51) 0 -24.194296 -11.746109 -2.355336 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=51) 0 -24.325670 -12.232893 -1.230479 L N-N--0.415700(PDBName=N,ResName=TRP,ResNum=52) 0 -24.402494 -12.477465 -3.447728 L H-H-0.271900(PDBName=H,ResName=TRP,ResNum=52) 0 -24.338183 -12.017829 -4.347872 L C-CT--0.005000(PDBName=CB,ResName=TRP,ResNum=52) 0 -25.882551 -14.010569 -4.588825 L H-HC-0.033900(PDBName=HB2,ResName=TRP,ResNum=52) 0 -26.187660 -15.055243 -4.668192 L H-HC-0.033900(PDBName=HB3,ResName=TRP,ResNum=52) 0 -26.777342 -13.430912 -4.354615 L C-C*--0.141500(PDBName=CG,ResName=TRP,ResNum=52) 0 -25.361594 -13.557236 -5.914992 L C-CW--0.163800(PDBName=CD1,ResName=TRP,ResNum=52) 0 -25.738169 -12.448061 -6.593595 L H-H4-0.206200(PDBName=HD1,ResName=TRP,ResNum=52) 0 -26.520537 -11.757705 -6.295301 L N-NA--0.341800(PDBName=NE1,ResName=TRP,ResNum=52) 0 -24.991455 -12.338866 -7.750577 L H-H-0.341200(PDBName=HE1,ResName=TRP,ResNum=52) 0 -25.152970 -11.623382 -8.458251 L C-CN-0.138000(PDBName=CE2,ResName=TRP,ResNum=52) 0 -24.120663 -13.396846 -7.892199 L C-CA--0.260100(PDBName=CZ2,ResName=TRP,ResNum=52) 0 -23.213341 -13.772650 -8.888747 L H-HA-0.157200(PDBName=HZ2,ResName=TRP,ResNum=52) 0 -23.107754 -13.188254 -9.793179 L C-CA--0.113400(PDBName=CH2,ResName=TRP,ResNum=52) 0 -22.524422 -14.986457 -8.750567 L H-HA-0.141700(PDBName=HH2,ResName=TRP,ResNum=52) 0 -21.880527 -15.336121 -9.540243 L C-CA--0.197200(PDBName=CZ3,ResName=TRP,ResNum=52) 0 -22.678024 -15.763577 -7.595656 L H-HA-0.144700(PDBName=HZ3,ResName=TRP,ResNum=52) 0 -22.105632 -16.671213 -7.485039 L C-CA--0.238700(PDBName=CE3,ResName=TRP,ResNum=52) 0 -23.616134 -15.399300 -6.622536 L H-HA-0.170000(PDBName=HE3,ResName=TRP,ResNum=52) 0 -23.818965 -16.078131 -5.816131 L C-CB-0.124300(PDBName=CD2,ResName=TRP,ResNum=52) 0 -24.351457 -14.202621 -6.739737 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=57) 0 -20.225557 -14.704974 2.233899 L H-H 153 0.0000 H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=57) 0 -20.457632 -13.712811 2.625117 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=57) 0 -21.534569 -15.469417 2.021698 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=57) 0 -21.292047 -16.440769 1.590399 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=57) 0 -21.995520 -15.644837 2.993533 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=57) 0 -22.572922 -14.757264 1.135076 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=57) 0 -23.002325 -13.908143 1.668586 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=57) 0 -22.127806 -14.410564 0.204132 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=57) 0 -23.653182 -15.795097 0.831467 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=57) 0 -23.178348 -16.641400 0.334411 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=57) 0 -24.076386 -16.129032 1.779706 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=57) 0 -24.800605 -15.321041 -0.052051 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=57) 0 -25.449645 -14.658881 0.530156 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=57) 0 -24.403408 -14.749528 -0.892145 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=57) 0 -25.570749 -16.491968 -0.541122 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=57) 0 -25.091505 -16.975452 -1.299939 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=57) 0 -25.686631 -17.182070 0.197723 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=57) 0 -26.487002 -16.201245 -0.876676 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=57) 0 -19.351115 -15.410420 3.291459 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=57) 0 -19.688544 -15.364752 4.481143 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=58) 0 -18.232331 -16.031711 2.887600 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=58) 0 -18.059525 -16.120685 1.893318 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=58) 0 -17.186705 -16.501807 3.795644 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=58) 0 -17.650983 -16.934893 4.680311 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=58) 0 -16.388578 -17.622553 3.117080 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=58) 0 -17.063184 -18.408231 2.775310 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=58) 0 -15.826011 -17.236966 2.268790 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=58) 0 -15.686252 -18.052503 3.833247 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=58) 0 -16.287657 -15.340095 4.260673 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=58) 0 -16.008346 -15.237030 5.454207 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=59) 0 -15.905417 -14.439494 3.342389 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=59) 0 -16.167172 -14.600104 2.377655 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=59) 0 -15.033116 -13.293343 3.627817 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=59) 0 -14.195937 -13.650062 4.231075 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=59) 0 -14.487117 -12.735470 2.298654 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=59) 0 -15.325288 -12.345986 1.720592 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=59) 0 -14.043421 -13.543681 1.722054 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=59) 0 -13.446201 -11.607279 2.468725 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=59) 0 -13.861392 -10.805343 3.077461 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=59) 0 -12.147433 -12.107721 3.103006 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=59) 0 -11.742767 -12.932993 2.524171 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=59) 0 -12.325505 -12.427540 4.130355 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=59) 0 -11.410143 -11.306770 3.119156 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=59) 0 -13.087122 -11.026713 1.106725 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=59) 0 -12.581214 -11.774956 0.501166 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=59) 0 -13.995473 -10.702580 0.602182 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=59) 0 -12.437925 -10.160921 1.239953 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=59) 0 -15.719988 -12.174770 4.426344 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=59) 0 -15.147613 -11.690044 5.394702 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=60) 0 -16.922325 -11.740308 4.039005 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=60) 0 -17.329013 -12.152695 3.209109 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=60) 0 -17.487697 -10.471094 4.515295 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=60) 0 -16.802416 -9.686266 4.187707 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=60) 0 -18.817615 -10.206481 3.793943 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=60) 0 -19.201449 -9.230128 4.092906 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=60) 0 -18.650440 -10.191472 2.715982 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=60) 0 -19.557434 -10.967599 4.030243 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=60) 0 -17.595228 -10.330109 6.059583 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=60) 0 -17.202473 -9.273944 6.569610 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=61) 0 -18.024506 -11.357607 6.833122 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=61) 0 -18.650842 -12.599047 6.402071 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=61) 0 -17.896247 -13.385236 6.343280 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=61) 0 -19.165573 -12.505309 5.449276 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=61) 0 -19.655310 -12.926556 7.500096 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=61) 0 -19.902134 -13.988189 7.521907 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=61) 0 -20.553050 -12.319310 7.372352 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=61) 0 -18.908805 -12.488791 8.758160 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=61) 0 -18.263501 -13.304682 9.090370 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=61) 0 -19.599059 -12.207789 9.554755 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=61) 0 -18.061492 -11.291033 8.302797 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=61) 0 -18.562587 -10.369295 8.601850 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=61) 0 -16.670844 -11.341595 8.958173 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=61) 0 -16.489259 -10.864825 10.081033 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=62) 0 -15.680912 -11.898361 8.257112 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=62) 0 -15.878791 -12.231710 7.322090 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=62) 0 -14.279083 -11.943444 8.683098 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=62) 0 -14.242929 -12.064716 9.761500 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=62) 0 -13.573138 -13.142975 8.037248 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=62) 0 -13.751167 -13.148835 6.963015 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=62) 0 -12.499626 -13.047353 8.197631 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=62) 0 -14.055977 -14.472346 8.634744 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=62) 0 -15.133213 -14.567642 8.482295 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=62) 0 -13.573071 -15.292443 8.100111 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=62) 0 -13.733853 -14.588373 10.130007 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=62) 0 -14.364395 -15.410303 10.834050 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=62) 0 -12.830436 -13.883238 10.626651 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=62) 0 -13.547407 -10.636953 8.375700 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=62) 0 -12.764674 -10.162459 9.194333 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=63) 0 -13.904701 -9.973185 7.275837 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=63) 0 -14.504061 -10.450141 6.610719 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=63) 0 -13.569555 -8.572898 7.026928 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=63) 0 -12.483463 -8.473081 7.045124 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=63) 0 -14.087179 -8.164943 5.636581 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=63) 0 -14.637526 -8.983853 5.171947 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=63) 0 -14.780870 -7.328616 5.733263 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=63) 0 -12.960533 -7.773900 4.712092 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=63) 0 -11.984596 -8.726270 4.365170 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=63) 0 -12.081122 -9.740196 4.724927 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=63) 0 -10.884310 -8.353602 3.571760 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=63) 0 -10.124725 -9.071094 3.300810 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=63) 0 -10.772438 -7.021205 3.131408 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=63) 0 -9.728021 -6.635772 2.369164 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=63) 0 -9.832753 -5.721221 2.098556 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=63) 0 -11.747166 -6.070127 3.478741 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=63) 0 -11.643608 -5.055008 3.143390 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=63) 0 -12.851709 -6.450178 4.256476 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=63) 0 -13.616344 -5.729619 4.501471 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=63) 0 -14.117518 -7.661736 8.133079 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=63) 0 -13.404619 -6.785474 8.622578 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=64) 0 -15.339799 -7.924693 8.607341 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=64) 0 -15.906399 -8.609945 8.121991 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=64) 0 -15.899655 -7.253281 9.775925 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=64) 0 -15.789223 -6.177246 9.632502 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=64) 0 -17.401891 -7.547868 9.836405 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=64) 0 -17.587595 -8.617344 9.870483 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=64) 0 -17.831517 -7.094140 10.726947 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=64) 0 -17.892457 -7.133738 8.954820 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=64) 0 -15.145655 -7.599175 11.080635 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=64) 0 -14.829288 -6.678353 11.840034 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=65) 0 -14.768498 -8.867014 11.332316 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=65) 0 -15.079255 -9.595779 10.697185 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=65) 0 -13.922349 -9.238242 12.491686 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=65) 0 -14.402782 -8.891643 13.408387 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=65) 0 -13.700712 -10.761517 12.595404 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=65) 0 -13.685658 -11.193801 11.598439 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=65) 0 -12.723566 -10.918980 13.050789 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=65) 0 -14.691170 -11.532910 13.477725 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=65) 0 -14.550437 -11.228665 14.515842 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=65) 0 -15.707226 -11.284941 13.178554 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=65) 0 -14.522116 -13.061566 13.368960 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=65) 0 -15.170961 -13.535789 14.105658 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=65) 0 -14.878089 -13.355349 12.381535 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=65) 0 -13.083692 -13.589175 13.552443 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=65) 0 -12.432955 -13.058387 12.852490 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=65) 0 -12.741475 -13.395781 14.572004 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=65) 0 -13.001798 -15.037385 13.238641 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=65) 0 -13.392827 -15.189932 12.304278 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=65) 0 -12.049812 -15.382732 13.193927 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=65) 0 -13.524803 -15.593343 13.906403 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=65) 0 -12.560981 -8.541386 12.431308 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=65) 0 -12.104112 -8.050383 13.458814 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=66) 0 -11.937986 -8.456389 11.254581 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=66) 0 -12.351743 -8.943610 10.466262 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=66) 0 -10.661827 -7.777757 11.035832 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=66) 0 -9.933897 -8.155910 11.754188 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=66) 0 -10.155496 -8.115729 9.629641 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=66) 0 -9.198247 -7.622671 9.458446 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=66) 0 -10.019903 -9.190674 9.531302 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=66) 0 -10.871631 -7.783747 8.878196 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=66) 0 -10.772436 -6.259255 11.239556 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=66) 0 -9.911324 -5.669478 11.889541 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=67) 0 -11.845107 -5.628245 10.750449 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=67) 0 -12.488287 -6.147343 10.159968 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=67) 0 -12.103739 -4.205407 10.962648 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=67) 0 -11.228923 -3.640118 10.654142 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=67) 0 -13.289409 -3.779253 10.095301 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=67) 0 -13.454645 -2.710095 10.214143 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=67) 0 -13.073720 -3.989169 9.050919 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=67) 0 -14.192037 -4.316487 10.388220 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=67) 0 -12.337746 -3.869296 12.438464 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=67) 0 -11.755981 -2.905190 12.941890 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=68) 0 -13.126318 -4.694032 13.135142 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=68) 0 -13.566670 -5.460348 12.637332 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=68) 0 -13.361481 -4.583320 14.573888 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=68) 0 -13.759501 -3.594687 14.803716 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=68) 0 -14.092586 -5.334273 14.874188 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=68) 0 -12.080720 -4.802741 15.379648 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=68) 0 -11.769415 -3.981468 16.240701 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=69) 0 -11.304161 -5.841309 15.031457 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=69) 0 -11.661521 -6.471832 14.321013 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=69) 0 -9.986794 -6.160974 15.601479 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=69) 0 -10.097204 -6.326214 16.675208 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=69) 0 -9.425796 -7.449261 14.970975 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=69) 0 -10.006670 -8.291290 15.339331 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=69) 0 -9.540762 -7.404632 13.889299 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=69) 0 -7.936852 -7.691109 15.272953 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=69) 0 -7.336847 -6.995350 14.685128 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=69) 0 -7.741539 -7.504288 16.330039 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=69) 0 -7.511270 -9.118048 14.901437 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=69) 0 -8.176795 -9.521568 14.136444 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=69) 0 -6.501940 -9.099746 14.488958 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=69) 0 -7.533283 -10.027472 16.130669 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=69) 0 -8.401196 -9.782938 16.749179 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=69) 0 -7.628631 -11.063108 15.793452 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=69) 0 -6.280129 -9.890527 16.907040 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=69) 0 -5.511902 -10.241470 16.342042 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=69) 0 -6.045291 -8.914636 17.105291 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=69) 0 -6.306281 -10.436039 17.762886 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=69) 0 -9.014887 -5.005464 15.455452 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=69) 0 -8.591591 -4.465018 16.464339 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=70) 0 -8.681577 -4.586466 14.234789 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=70) 0 -9.086663 -5.051902 13.430008 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=70) 0 -7.670793 -3.546840 14.026605 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=70) 0 -6.766414 -3.850897 14.550747 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=70) 0 -7.353493 -3.424620 12.523910 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=70) 0 -8.283056 -3.468916 11.954216 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=70) 0 -6.899385 -2.453700 12.329757 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=70) 0 -6.383650 -4.515961 12.026349 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=70) 0 -6.742015 -5.496000 12.340023 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=70) 0 -6.300797 -4.492163 10.500351 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=70) 0 -6.202595 -3.468099 10.145678 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=70) 0 -5.454567 -5.081228 10.150328 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=70) 0 -7.206842 -4.929199 10.095863 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=70) 0 -4.963854 -4.314457 12.558740 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=70) 0 -4.612837 -3.319939 12.296333 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=70) 0 -4.942435 -4.424057 13.640795 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=70) 0 -4.295162 -5.062014 12.136196 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=70) 0 -8.087802 -2.216956 14.671335 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=70) 0 -7.246210 -1.528412 15.247103 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=71) 0 -9.388389 -1.899782 14.694876 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=71) 0 -10.042432 -2.509049 14.217437 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=71) 0 -9.902872 -0.708216 15.380055 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=71) 0 -9.262824 0.131294 15.103307 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=71) 0 -11.308481 -0.418108 14.841895 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=71) 0 -11.235241 -0.354216 13.755352 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=71) 0 -11.973469 -1.246894 15.091012 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=71) 0 -11.925581 0.890176 15.352817 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=71) 0 -12.282935 0.743957 16.370649 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=71) 0 -11.177893 1.681041 15.345547 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=71) 0 -13.090348 1.287079 14.434719 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=71) 0 -12.696943 1.733859 13.519776 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=71) 0 -13.630943 0.382147 14.160650 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=71) 0 -14.104569 2.235137 15.077406 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=71) 0 -14.907907 2.414697 14.359864 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=71) 0 -14.552023 1.739347 15.943923 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=71) 0 -13.534591 3.535063 15.496394 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=71) 0 -13.062841 4.028466 14.744824 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=71) 0 -14.302573 4.115655 15.833132 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=71) 0 -12.914966 3.407649 16.291552 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=71) 0 -9.813434 -0.828600 16.907287 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=71) 0 -9.466601 0.162639 17.549347 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=72) 0 -10.018637 -2.014569 17.483797 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=72) 0 -10.318303 -2.786597 16.899392 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=72) 0 -9.828547 -2.291724 18.912062 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=72) 0 -10.274318 -1.479406 19.486747 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=72) 0 -10.589138 -3.576240 19.256973 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=72) 0 -10.158750 -4.425465 18.724107 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=72) 0 -10.529480 -3.761881 20.328479 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=72) 0 -11.638659 -3.474032 18.981006 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=72) 0 -8.339487 -2.372868 19.314335 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=72) 0 -7.953388 -1.855793 20.363948 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=73) 0 -7.473002 -2.896536 18.444571 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=73) 0 -7.863690 -3.371420 17.636231 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=73) 0 -6.003180 -2.856301 18.540079 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=73) 0 -5.708798 -3.217131 19.523407 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=73) 0 -5.378384 -3.803974 17.492292 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=73) 0 -5.761755 -3.541233 16.507671 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=73) 0 -4.299371 -3.647633 17.483345 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=73) 0 -5.632849 -5.301664 17.766094 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=73) 0 -5.242832 -5.541475 18.754963 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=73) 0 -6.703870 -5.497899 17.787300 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=73) 0 -4.973162 -6.239857 16.737561 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=73) 0 -4.379433 -5.760004 15.745405 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=73) 0 -5.020970 -7.481297 16.930684 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=73) 0 -5.429976 -1.424622 18.399991 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=73) 0 -4.214881 -1.224041 18.491503 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=74) 0 -6.287272 -0.415955 18.193413 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=74) 0 -7.267075 -0.648564 18.117522 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=74) 0 -5.914144 0.995538 18.069625 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=74) 0 -6.808539 1.606409 18.188149 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=74) 0 -5.213615 1.251604 18.864862 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=74) 0 -5.266482 1.350697 16.728289 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=74) 0 -4.725997 2.447554 16.583293 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=75) 0 -5.311850 0.448016 15.749768 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=75) 0 -5.865622 -0.388983 15.900254 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=75) 0 -4.559093 0.526410 14.500865 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=75) 0 -3.529257 0.788914 14.743111 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=75) 0 -4.546556 -0.839077 13.818575 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=75) 0 -4.278647 -1.617960 14.533985 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=75) 0 -5.535752 -1.049676 13.415521 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=75) 0 -3.613211 -0.821275 12.764117 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=75) 0 -2.788461 -1.237529 13.099988 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=75) 0 -5.101034 1.558183 13.515840 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=75) 0 -6.312374 1.699195 13.316533 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=76) 0 -4.178963 2.226627 12.832601 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=76) 0 -3.205876 2.066404 13.087731 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=76) 0 -4.416644 3.066636 11.660761 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=76) 0 -5.282809 3.695722 11.869757 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=76) 0 -3.204546 4.000079 11.461975 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=76) 0 -3.506745 4.786313 10.771857 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=76) 0 -2.972556 4.488258 12.409821 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=76) 0 -1.918410 3.362227 10.894567 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=76) 0 -2.141456 2.959619 9.904650 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=76) 0 -1.183700 4.157963 10.755759 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=76) 0 -1.285385 2.264154 11.768014 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=76) 0 -1.406054 2.323340 13.016409 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=76) 0 -0.691053 1.327718 11.192894 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=76) 0 -4.744694 2.265128 10.383711 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=76) 0 -5.271332 2.841498 9.429041 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=77) 0 -4.470006 0.953912 10.363933 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=77) 0 -4.062707 0.540542 11.198218 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=77) 0 -4.792083 0.043999 9.253867 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=77) 0 -4.454687 0.498442 8.324455 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=77) 0 -4.103600 -1.331539 9.434473 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=77) 0 -4.587574 -1.823323 10.278525 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=77) 0 -4.321008 -2.198215 8.178091 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=77) 0 -5.381204 -2.400487 8.024930 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=77) 0 -3.926085 -1.696166 7.295711 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=77) 0 -3.817625 -3.153904 8.296012 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=77) 0 -2.593238 -1.265819 9.753146 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=77) 0 -2.028678 -1.047154 8.849753 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=77) 0 -2.393600 -0.470651 10.465405 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=77) 0 -2.077158 -2.566907 10.385262 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=77) 0 -2.055686 -3.373187 9.654453 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=77) 0 -1.074446 -2.406421 10.773732 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=77) 0 -2.707458 -2.861185 11.219856 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=77) 0 -6.308572 -0.166389 9.186924 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=77) 0 -6.923617 -0.475800 10.210740 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=78) 0 -6.914262 -0.057758 7.996713 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=78) 0 -6.336207 0.182630 7.194305 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=78) 0 -8.357675 -0.284836 7.777096 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=78) 0 -8.797025 -0.662336 8.701822 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=78) 0 -9.063728 1.041020 7.419595 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=78) 0 -8.654412 1.418416 6.484092 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=78) 0 -10.125023 0.848530 7.257905 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=78) 0 -8.940196 2.153444 8.474375 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=78) 0 -7.896922 2.459480 8.548878 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=78) 0 -9.520352 3.009019 8.133907 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=78) 0 -9.428116 1.760325 9.873171 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=78) 0 -8.904536 0.867154 10.188137 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=78) 0 -9.158549 2.540959 10.580643 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=78) 0 -10.876901 1.496617 9.924512 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=78) 0 -11.147196 0.522442 10.012000 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=78) 0 -11.830195 2.395488 10.060774 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=78) 0 -11.564190 3.651649 10.244305 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=78) 0 -10.608887 3.943024 10.439004 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=78) 0 -12.312379 4.287823 10.455523 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=78) 0 -13.082190 2.049146 10.019799 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=78) 0 -13.330600 1.102348 9.752354 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=78) 0 -13.808478 2.764240 10.016290 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=78) 0 -8.648950 -1.377190 6.745469 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=78) 0 -7.774811 -1.823890 6.003785 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=79) 0 -9.914051 -1.788566 6.712391 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=79) 0 -10.560932 -1.345094 7.345516 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=79) 0 -10.491115 -2.762065 5.786467 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=79) 0 -9.742374 -3.085036 5.067398 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=79) 0 -11.026830 -3.988701 6.552252 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=79) 0 -11.808535 -3.650982 7.230828 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=79) 0 -11.511490 -4.640900 5.829412 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=79) 0 -10.047068 -4.861841 7.355326 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=79) 0 -10.622195 -5.700455 7.745526 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=79) 0 -8.920088 -5.422552 6.496354 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=79) 0 -9.340549 -6.024129 5.689936 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=79) 0 -8.325465 -4.608590 6.084366 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=79) 0 -8.273394 -6.046008 7.110190 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=79) 0 -9.418784 -4.145630 8.549612 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=79) 0 -8.478326 -3.670976 8.272341 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=79) 0 -10.095656 -3.387442 8.932008 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=79) 0 -9.229888 -4.876470 9.330441 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=79) 0 -11.649728 -2.083927 5.049000 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=79) 0 -12.426150 -1.386671 5.694536 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=80) 0 -11.803507 -2.291794 3.743749 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=80) 0 -11.108673 -2.860900 3.272092 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=80) 0 -12.859109 -1.697776 2.916339 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=80) 0 -13.590361 -1.213200 3.556865 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=80) 0 -12.223968 -0.635665 2.018771 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=80) 0 -11.789407 0.154155 2.628325 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=80) 0 -11.446587 -1.090201 1.407429 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=80) 0 -12.985326 -0.213514 1.365528 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=80) 0 -13.608215 -2.740005 2.072604 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=80) 0 -13.008237 -3.733235 1.684610 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=81) 0 -14.881364 -2.494431 1.739986 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=81) 0 -15.281601 -1.618584 2.059505 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=81) 0 -15.723353 -3.345809 0.886088 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=81) 0 -15.081443 -4.112989 0.450996 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=81) 0 -16.774577 -4.104241 1.723953 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=81) 0 -17.258097 -4.841428 1.084376 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=81) 0 -16.256301 -4.657915 2.505979 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=81) 0 -17.854980 -3.218610 2.372350 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=81) 0 -17.383055 -2.508269 3.051506 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=81) 0 -18.376440 -2.659495 1.596269 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=81) 0 -16.323166 -2.564227 -0.289208 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=81) 0 -16.871126 -1.468853 -0.121767 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=82) 0 -16.233040 -3.145226 -1.481603 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=82) 0 -15.672130 -3.990952 -1.531279 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=82) 0 -16.666183 -2.570146 -2.761494 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=82) 0 -17.096670 -1.589074 -2.596723 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=82) 0 -15.472460 -2.359668 -3.705087 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=82) 0 -15.001685 -3.317856 -3.908170 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=82) 0 -15.943967 -1.750216 -5.032486 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=82) 0 -16.505830 -0.836309 -4.845092 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=82) 0 -15.085365 -1.536548 -5.664137 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=82) 0 -16.584780 -2.454079 -5.563196 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=82) 0 -14.430378 -1.431833 -3.066770 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=82) 0 -14.904203 -0.509736 -2.734145 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=82) 0 -13.973404 -1.928814 -2.211278 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=82) 0 -13.640921 -1.206563 -3.782685 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=82) 0 -17.722610 -3.460214 -3.406784 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=82) 0 -17.429977 -4.585986 -3.809315 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=83) 0 -18.945244 -2.946194 -3.521284 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=83) 0 -19.124158 -2.020623 -3.150977 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=83) 0 -20.069482 -3.683286 -4.099463 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=83) 0 -20.068324 -4.693921 -3.683447 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=83) 0 -21.380974 -3.011094 -3.673614 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=83) 0 -21.343016 -2.799080 -2.610671 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=83) 0 -21.509000 -2.065880 -4.203978 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=83) 0 -22.577247 -3.915198 -3.934857 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=83) 0 -22.723027 -4.359013 -5.091836 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=83) 0 -23.363445 -4.171294 -2.992905 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=83) 0 -19.941153 -3.793903 -5.630639 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=83) 0 -20.043427 -2.800118 -6.361339 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=84) 0 -19.718703 -5.008835 -6.135139 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=84) 0 -19.658467 -5.804283 -5.504910 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=84) 0 -19.498099 -5.248175 -7.557559 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=84) 0 -18.872833 -4.437146 -7.932512 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=84) 0 -18.698538 -6.543937 -7.729789 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=84) 0 -18.369985 -6.628065 -8.765475 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=84) 0 -17.821055 -6.531819 -7.081638 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=84) 0 -19.322432 -7.403398 -7.480621 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=84) 0 -20.785576 -5.229992 -8.406853 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=84) 0 -20.685191 -5.347629 -9.631308 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=85) 0 -21.974337 -5.066423 -7.814035 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=85) 0 -22.019080 -4.999137 -6.797151 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=85) 0 -23.249547 -4.930730 -8.544924 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=85) 0 -23.075455 -5.073824 -9.611058 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=85) 0 -24.268634 -6.009898 -8.133570 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=85) 0 -25.144972 -5.920239 -8.774834 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=85) 0 -23.721592 -7.432873 -8.251305 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=85) 0 -22.876529 -7.577664 -7.579162 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=85) 0 -24.507209 -8.142375 -7.991291 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=85) 0 -23.412390 -7.619653 -9.278072 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=85) 0 -24.681913 -5.848295 -6.801954 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=85) 0 -25.403092 -5.182141 -6.826169 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=85) 0 -23.851659 -3.529294 -8.404032 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=85) 0 -24.455024 -3.030636 -9.354923 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=86) 0 -23.669066 -2.843794 -7.268828 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=86) 0 -23.248961 -3.346602 -6.485184 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=86) 0 -24.240187 -1.506181 -7.023286 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=86) 0 -25.038403 -1.330052 -7.743702 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=86) 0 -24.885206 -1.408756 -5.629425 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=86) 0 -24.102773 -1.398783 -4.869243 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=86) 0 -25.411777 -0.454991 -5.573485 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=86) 0 -25.884751 -2.524385 -5.286353 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=86) 0 -25.323774 -3.380379 -4.918319 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=86) 0 -26.532601 -2.178480 -4.478345 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=86) 0 -26.740171 -2.968396 -6.475901 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=86) 0 -27.435128 -2.129279 -7.098090 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=86) 0 -26.685959 -4.159229 -6.857852 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=86) 0 -23.256769 -0.349326 -7.237418 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=86) 0 -23.668270 0.693721 -7.748911 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=87) 0 -21.969274 -0.504976 -6.908565 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=87) 0 -21.671020 -1.385810 -6.501078 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=87) 0 -20.937636 0.479104 -7.277394 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=87) 0 -21.395855 1.460852 -7.401209 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=87) 0 -19.850118 0.603105 -6.193886 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=87) 0 -19.440664 -0.377230 -5.958488 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=87) 0 -19.032972 1.211376 -6.585807 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=87) 0 -20.361008 1.252617 -4.903146 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=87) 0 -21.147532 0.631060 -4.469755 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=87) 0 -19.539777 1.298546 -4.186880 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=87) 0 -20.885012 2.667917 -5.159396 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=87) 0 -22.075283 2.933470 -4.878372 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=87) 0 -20.117578 3.524943 -5.656864 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=87) 0 -20.320943 0.141196 -8.633966 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=87) 0 -20.261525 1.013872 -9.502709 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=88) 0 -19.923391 -1.125007 -8.825466 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=88) 0 -20.037665 -1.749122 -8.029875 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=88) 0 -19.342297 -1.715234 -10.046088 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=88) 0 -19.085191 -2.746678 -9.806948 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=88) 0 -20.409643 -1.779887 -11.145700 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=88) 0 -21.288022 -2.309875 -10.772736 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=88) 0 -20.705193 -0.769475 -11.431370 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=88) 0 -19.906586 -2.452763 -12.280432 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=88) 0 -20.526190 -2.260322 -13.019981 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=88) 0 -18.042117 -1.059633 -10.544324 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=88) 0 -16.985684 -1.690674 -10.546598 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=89) 0 -18.078214 0.224148 -10.899944 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=89) 0 -18.967437 0.696045 -10.783612 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=89) 0 -16.984128 0.963184 -11.538381 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=89) 0 -16.674121 0.417887 -12.429503 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=89) 0 -17.472958 2.355502 -11.945831 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=89) 0 -17.800583 2.894941 -11.057000 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=89) 0 -16.642358 2.904624 -12.387998 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=89) 0 -18.596852 2.310440 -12.966981 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=89) 0 -18.468381 1.580487 -13.970620 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=89) 0 -19.590569 3.055082 -12.794435 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=89) 0 -15.749293 1.136839 -10.654267 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=89) 0 -14.653096 1.351859 -11.171567 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=90) 0 -15.904719 1.033572 -9.331988 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=90) 0 -16.837710 0.886415 -8.978102 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=90) 0 -14.775158 0.989879 -8.407006 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=90) 0 -14.053380 1.739818 -8.721395 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=90) 0 -15.264959 1.359271 -6.995475 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=90) 0 -15.684681 2.364917 -7.021428 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=90) 0 -16.054547 0.668929 -6.699191 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=90) 0 -14.142372 1.316825 -5.943392 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=90) 0 -13.756341 0.302412 -5.866013 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=90) 0 -12.989327 2.245891 -6.299929 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=90) 0 -13.336206 3.275967 -6.385676 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=90) 0 -12.235786 2.164438 -5.524829 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=90) 0 -12.523809 1.945281 -7.235941 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=90) 0 -14.659006 1.728860 -4.568316 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=90) 0 -13.903847 1.501179 -3.818677 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=90) 0 -14.859643 2.794434 -4.549722 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=90) 0 -15.572940 1.189575 -4.329422 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=90) 0 -14.050124 -0.364503 -8.460618 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=90) 0 -12.824667 -0.412451 -8.412260 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=91) 0 -14.789018 -1.462356 -8.624143 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=91) 0 -15.781012 -1.363037 -8.786174 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=91) 0 -14.209472 -2.793571 -8.760224 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=91) 0 -13.431396 -2.912338 -8.009850 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=91) 0 -15.318516 -3.821326 -8.492431 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=91) 0 -14.874039 -4.793276 -8.299868 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=91) 0 -15.892283 -3.538801 -7.609926 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=91) 0 -15.990964 -3.892724 -9.348390 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=91) 0 -13.517898 -2.952795 -10.123488 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=91) 0 -12.349153 -3.333890 -10.192231 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=92) 0 -14.180976 -2.516587 -11.198481 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=92) 0 -15.141597 -2.211993 -11.073121 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=92) 0 -13.622089 -2.515520 -12.555584 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=92) 0 -13.171802 -3.493220 -12.726138 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=92) 0 -14.757839 -2.332770 -13.581994 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=92) 0 -15.234098 -1.367223 -13.411181 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=92) 0 -14.328779 -2.324399 -14.584956 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=92) 0 -15.838746 -3.432182 -13.529807 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=92) 0 -16.363961 -3.393644 -12.575979 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=92) 0 -16.570131 -3.240786 -14.314899 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=92) 0 -15.263887 -4.833668 -13.715247 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=92) 0 -14.892251 -5.511555 -12.765833 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=92) 0 -15.105345 -5.316601 -14.926207 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=92) 0 -14.656648 -6.225520 -15.022048 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=92) 0 -15.424843 -4.802047 -15.726599 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=92) 0 -12.469247 -1.506723 -12.762424 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=92) 0 -11.861264 -1.487849 -13.834812 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=93) 0 -12.112534 -0.705240 -11.747857 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=93) 0 -12.654718 -0.742530 -10.896322 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=93) 0 -10.900510 0.128238 -11.741076 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=93) 0 -10.672246 0.389668 -12.770835 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=93) 0 -11.160131 1.436343 -10.963113 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=93) 0 -12.223818 1.519911 -10.761777 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=93) 0 -10.665974 1.403332 -9.990801 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=93) 0 -10.742466 2.711763 -11.722143 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=93) 0 -10.819795 2.562855 -12.797917 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=93) 0 -11.439618 3.507422 -11.467058 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=93) 0 -9.347467 3.210262 -11.363976 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=93) 0 -9.180094 4.003954 -10.446914 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=93) 0 -8.317567 2.814771 -12.074005 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=93) 0 -7.384226 3.071615 -11.773235 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=93) 0 -8.455572 2.176102 -12.853310 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=93) 0 -9.659081 -0.608763 -11.211761 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=93) 0 -8.547682 -0.193643 -11.529195 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=94) 0 -9.818295 -1.705978 -10.458746 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=94) 0 -10.760441 -2.014777 -10.246548 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=94) 0 -8.712396 -2.387003 -9.761577 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=94) 0 -7.773015 -2.012857 -10.166453 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=94) 0 -8.730359 -2.010626 -8.269930 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=94) 0 -9.651699 -2.388366 -7.824467 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=94) 0 -7.893012 -2.496558 -7.767977 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=94) 0 -8.612731 -0.516690 -8.021258 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=94) 0 -7.491798 0.189910 -8.502697 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=94) 0 -6.702656 -0.336029 -9.021026 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=94) 0 -7.415220 1.587597 -8.360371 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=94) 0 -6.573479 2.122535 -8.766644 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=94) 0 -8.449052 2.281198 -7.700346 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=94) 0 -8.415227 3.632699 -7.576120 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=94) 0 -7.725954 4.028323 -8.124361 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=94) 0 -9.544727 1.569405 -7.181365 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=94) 0 -10.314960 2.115355 -6.669524 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=94) 0 -9.637913 0.176418 -7.351577 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=94) 0 -10.507093 -0.352302 -6.988422 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=94) 0 -8.635798 -3.904018 -10.004284 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=94) 0 -7.977529 -4.615349 -9.250495 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=95) 0 -9.263154 -4.405388 -11.071722 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=95) 0 -9.848255 -3.787347 -11.610871 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=95) 0 -9.059459 -5.769910 -11.567085 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=95) 0 -9.474660 -5.857380 -12.571502 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=95) 0 -7.990706 -5.963381 -11.625373 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=95) 0 -9.681920 -6.845536 -10.677352 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=95) 0 -9.044500 -7.368604 -9.759071 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=96) 0 -10.936710 -7.186841 -10.967825 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=96) 0 -11.381973 -6.708050 -11.745892 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=96) 0 -11.701279 -8.224630 -10.268238 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=96) 0 -11.430399 -8.195918 -9.214085 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=96) 0 -13.217292 -7.963245 -10.356040 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=96) 0 -13.527302 -7.996248 -11.397859 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=96) 0 -14.028748 -8.989518 -9.555417 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=96) 0 -15.093437 -8.773297 -9.647463 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=96) 0 -13.859250 -9.993164 -9.939220 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=96) 0 -13.747636 -8.956653 -8.502568 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=96) 0 -13.581823 -6.584997 -9.808533 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=96) 0 -14.660796 -6.446784 -9.875801 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=96) 0 -13.253863 -6.493009 -8.772806 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=96) 0 -13.106367 -5.812173 -10.408718 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=96) 0 -11.323625 -9.597090 -10.825547 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=96) 0 -11.852477 -10.049261 -11.848517 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=97) 0 -10.423143 -10.291601 -10.130640 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=97) 0 -10.079226 -9.854652 -9.281543 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=97) 0 -10.017407 -11.680930 -10.388195 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=97) 0 -10.026082 -11.846647 -11.464539 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=97) 0 -8.568299 -11.895112 -9.937130 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=97) 0 -8.290548 -12.906140 -10.225383 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=97) 0 -7.927336 -11.214470 -10.496988 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=97) 0 -8.294772 -11.686121 -8.433254 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=97) 0 -8.083038 -10.631199 -8.254421 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=97) 0 -9.163417 -11.960226 -7.836244 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=97) 0 -7.107484 -12.536783 -7.961996 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=97) 0 -6.868947 -12.271414 -6.933591 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=97) 0 -7.391743 -13.587581 -7.961021 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=97) 0 -5.916411 -12.315707 -8.797424 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=97) 0 -5.478796 -11.403734 -8.707029 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=97) 0 -5.415917 -13.112736 -9.721289 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=97) 0 -5.931409 -14.275994 -10.010321 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=97) 0 -6.776538 -14.590741 -9.549659 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=97) 0 -5.547928 -14.846118 -10.752261 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=97) 0 -4.379245 -12.718555 -10.395587 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=97) 0 -4.053170 -11.763127 -10.295994 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=97) 0 -4.018307 -13.300730 -11.142527 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=97) 0 -11.010238 -12.699189 -9.814986 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=97) 0 -10.638518 -13.615625 -9.079057 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=98) 0 -12.288162 -12.515747 -10.133071 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=98) 0 -12.510525 -11.746379 -10.748221 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=98) 0 -13.387405 -13.221818 -9.483491 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=98) 0 -14.253693 -13.242115 -10.141699 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=98) 0 -13.089876 -14.250330 -9.287681 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=98) 0 -13.803101 -12.603464 -8.149076 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=98) 0 -13.257227 -11.592494 -7.703269 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=99) 0 -14.780047 -13.231391 -7.504319 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=99) 0 -15.143402 -14.081860 -7.922189 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=99) 0 -15.404303 -12.768713 -6.272028 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=99) 0 -14.987475 -11.793676 -6.037832 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=99) 0 -16.905413 -12.531125 -6.482500 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=99) 0 -17.430236 -13.479172 -6.391053 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=99) 0 -17.269711 -11.898869 -5.672471 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=99) 0 -17.292907 -11.896345 -7.810323 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=99) 0 -17.413492 -10.498046 -7.934470 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=99) 0 -17.174145 -9.857279 -7.096947 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=99) 0 -17.890295 -9.938427 -9.138259 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=99) 0 -18.003530 -8.871849 -9.232220 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=99) 0 -18.260619 -10.776726 -10.212897 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=99) 0 -18.754943 -10.268083 -11.369294 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=99) 0 -18.742797 -9.292118 -11.361334 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=99) 0 -18.081051 -12.165343 -10.106621 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=99) 0 -18.360451 -12.799926 -10.936085 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=99) 0 -17.582149 -12.719341 -8.916640 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=99) 0 -17.484601 -13.790710 -8.838528 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=99) 0 -15.123934 -13.766865 -5.126801 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=99) 0 -15.228178 -14.985095 -5.330147 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=100) 0 -14.710534 -13.296860 -3.938045 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=100) 0 -14.596330 -14.107489 -2.739134 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=100) 0 -14.134873 -15.071951 -2.950247 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=100) 0 -15.589668 -14.250607 -2.321562 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=100) 0 -13.738211 -13.303295 -1.766552 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=100) 0 -12.689833 -13.547401 -1.923267 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=100) 0 -14.029305 -13.481704 -0.731908 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=100) 0 -13.977174 -11.856323 -2.187006 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=100) 0 -13.138932 -11.209685 -1.923926 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=100) 0 -14.887188 -11.487559 -1.727865 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=100) 0 -14.178975 -11.958919 -3.697357 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=100) 0 -14.897892 -11.200206 -4.003497 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=100) 0 -12.847230 -11.747559 -4.426857 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=100) 0 -12.026694 -12.665025 -4.531889 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=101) 0 -12.597880 -10.517474 -4.859895 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=101) 0 -13.333464 -9.824643 -4.741520 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=101) 0 -11.230909 -10.015501 -5.047762 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=101) 0 -10.542949 -10.845833 -5.200826 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=101) 0 -11.128927 -9.126213 -6.290703 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=101) 0 -11.975119 -8.449064 -6.336658 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=101) 0 -9.835651 -8.320676 -6.408277 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=101) 0 -8.977426 -8.991192 -6.408253 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=101) 0 -9.851136 -7.754007 -7.337215 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=101) 0 -9.747934 -7.613224 -5.585571 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=101) 0 -11.159014 -9.963867 -7.413794 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=101) 0 -11.971112 -10.508979 -7.374916 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=101) 0 -10.815632 -9.306019 -3.766006 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=101) 0 -11.637839 -8.657003 -3.123023 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=102) 0 -9.551849 -9.449325 -3.378272 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=102) 0 -8.928136 -9.990332 -3.966875 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=102) 0 -8.962977 -8.789125 -2.216334 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=102) 0 -9.629061 -7.990631 -1.911486 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=102) 0 -8.795681 -9.736651 -1.005773 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=102) 0 -7.947606 -10.388270 -1.200017 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=102) 0 -8.486921 -8.875869 0.230734 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=102) 0 -8.299724 -9.508185 1.099384 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=102) 0 -7.604924 -8.257526 0.074166 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=102) 0 -9.339353 -8.230442 0.438346 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=102) 0 -10.014370 -10.622016 -0.652473 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=102) 0 -9.971615 -10.881682 0.406418 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=102) 0 -10.937300 -10.065398 -0.818021 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=102) 0 -10.062293 -11.951845 -1.415195 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=102) 0 -10.319455 -11.789479 -2.458248 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=102) 0 -9.097524 -12.455890 -1.350715 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=102) 0 -10.817481 -12.593883 -0.965874 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=102) 0 -7.618680 -8.182657 -2.629596 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=102) 0 -6.763133 -8.894449 -3.162265 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=103) 0 -7.418891 -6.887102 -2.369213 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=103) 0 -8.182975 -6.377059 -1.931830 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=103) 0 -6.174343 -6.152931 -2.667796 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=103) 0 -5.370971 -6.868961 -2.842554 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=103) 0 -6.346975 -5.304971 -3.940026 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=103) 0 -7.263652 -4.722763 -3.871475 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=103) 0 -5.508597 -4.609449 -4.019876 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=103) 0 -6.361902 -6.171006 -5.206053 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=103) 0 -5.408369 -6.689522 -5.263145 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=103) 0 -7.165358 -6.905941 -5.157558 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=103) 0 -6.533909 -5.327028 -6.471841 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=103) 0 -7.588964 -5.099822 -6.632875 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=103) 0 -5.992682 -4.388430 -6.351738 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=103) 0 -5.942017 -6.046154 -7.687974 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=103) 0 -5.890786 -5.335944 -8.518561 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=103) 0 -4.920872 -6.346607 -7.444069 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=103) 0 -6.716903 -7.233923 -8.117047 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=103) 0 -7.633090 -6.983626 -8.482328 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=103) 0 -6.218862 -7.707550 -8.862074 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=103) 0 -6.789050 -7.929291 -7.373157 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=103) 0 -5.714897 -5.282035 -1.500488 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=103) 0 -6.514835 -4.907847 -0.651408 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=104) 0 -4.435813 -4.936641 -1.472845 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=104) 0 -3.854791 -5.266422 -2.235892 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=104) 0 -3.812444 -4.007203 -0.533646 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=104) 0 -4.508925 -3.781924 0.271260 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=104) 0 -2.572761 -4.680203 0.062503 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=104) 0 -2.881416 -5.623167 0.505099 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=104) 0 -1.890884 -4.923478 -0.749642 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=104) 0 -1.824538 -3.872903 1.109056 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=104) 0 -2.468693 -3.473538 2.296245 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=104) 0 -3.504107 -3.731048 2.463809 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=104) 0 -1.773197 -2.727183 3.264305 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=104) 0 -2.280505 -2.411952 4.163603 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=104) 0 -0.423708 -2.392414 3.058096 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=104) 0 0.117216 -1.818982 3.796784 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=104) 0 0.224818 -2.801788 1.881313 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=104) 0 1.267226 -2.566052 1.723769 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=104) 0 -0.473333 -3.533243 0.905500 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=104) 0 0.039935 -3.839078 0.002835 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=104) 0 -3.461577 -2.688023 -1.221200 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=104) 0 -3.183873 -2.675876 -2.415846 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=105) 0 -3.477959 -1.598284 -0.454108 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=105) 0 -3.769470 -1.708409 0.511904 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=105) 0 -3.133077 -0.239874 -0.867551 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=105) 0 -2.427145 -0.280236 -1.700055 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=105) 0 -4.400224 0.498430 -1.321202 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=105) 0 -5.140013 0.434956 -0.521720 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=105) 0 -4.149696 1.551247 -1.448543 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=105) 0 -5.038853 0.017251 -2.612628 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=105) 0 -4.758920 0.677020 -3.824625 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=105) 0 -4.049668 1.492225 -3.843357 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=105) 0 -5.407440 0.283519 -5.008890 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=105) 0 -5.198461 0.794459 -5.938587 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=105) 0 -6.321214 -0.785042 -4.989107 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=105) 0 -6.816311 -1.086329 -5.900829 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=105) 0 -6.585546 -1.462910 -3.786567 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=105) 0 -7.285566 -2.284908 -3.771499 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=105) 0 -5.951904 -1.055127 -2.599102 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=105) 0 -6.160114 -1.570384 -1.673584 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=105) 0 -2.480436 0.525277 0.300147 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=105) 0 -2.701429 0.211058 1.476257 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=106) 0 -1.697048 1.562909 -0.021068 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=106) 0 -1.622256 1.818571 -0.997941 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=106) 0 -0.964556 2.404421 0.944184 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=106) 0 -1.408185 2.292737 1.931545 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=106) 0 0.520938 2.001918 0.994859 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=106) 0 0.985325 2.313087 0.056482 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=106) 0 0.983213 2.555873 1.811312 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=106) 0 0.843772 0.519767 1.210046 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=106) 0 0.523362 0.212593 2.204998 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=106) 0 0.320953 -0.083764 0.468297 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=106) 0 2.349554 0.268848 1.036015 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=106) 0 2.502021 -0.806054 1.025389 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=106) 0 2.667166 0.658138 0.066401 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=106) 0 3.171708 0.880160 2.099030 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=106) 0 3.436130 1.853116 2.005655 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=106) 0 3.589229 0.306749 3.209339 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=106) 0 3.496599 -0.967113 3.428805 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=106) 0 3.478839 -1.587605 2.618779 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=106) 0 3.901026 -1.343632 4.278186 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=106) 0 4.121502 1.048997 4.126405 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=106) 0 4.359002 2.007261 3.874325 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=106) 0 4.365693 0.686020 5.042573 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=106) 0 -1.024064 3.883369 0.556129 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=106) 0 -1.234638 4.183077 -0.611010 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=107) 0 -0.700468 4.792574 1.478396 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=107) 0 -0.619139 4.445258 2.427765 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=107) 0 -0.209700 6.159822 1.203966 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=107) 0 -0.201196 6.684337 2.160081 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=107) 0 1.249492 6.071801 0.716429 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=107) 0 1.252557 5.687317 -0.303829 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=107) 0 1.698559 7.065054 0.703734 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=107) 0 2.119066 5.187173 1.576527 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=107) 0 2.160743 5.297501 2.794312 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=107) 0 2.823678 4.261292 0.988545 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=107) 0 3.527788 3.821605 1.572975 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=107) 0 2.918723 4.229305 -0.019666 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=107) 0 -1.055744 7.047267 0.256496 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=107) 0 -0.507140 7.925621 -0.419517 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=108) 0 -2.366301 6.812867 0.133306 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=108) 0 -2.764542 6.042299 0.659936 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=108) 0 -3.193545 7.488976 -0.882292 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=108) 0 -4.242115 7.381962 -0.640332 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=108) 0 -2.980863 8.556444 -0.856355 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=108) 0 -2.964742 7.002112 -2.325307 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=108) 0 -3.505659 7.587959 -3.259633 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=109) 0 -2.139107 5.974257 -2.520208 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=109) 0 -1.807035 5.473154 -1.703899 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=109) 0 -1.514045 5.591514 -3.783808 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=109) 0 -1.511089 6.461033 -4.442298 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=109) 0 -0.049125 5.208381 -3.508187 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=109) 0 0.407916 5.975264 -2.883814 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=109) 0 -0.000351 4.263986 -2.964295 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=109) 0 0.747535 5.098277 -4.803547 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=109) 0 0.969255 6.157789 -5.441178 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=109) 0 1.112984 3.972744 -5.209049 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=109) 0 -2.277820 4.468731 -4.496290 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=109) 0 -2.089793 3.278526 -4.236210 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=110) 0 -3.131932 4.841732 -5.448633 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=110) 0 -3.277462 5.830176 -5.617765 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=110) 0 -3.884439 3.867323 -6.257411 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=110) 0 -4.282060 3.114564 -5.578243 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=110) 0 -5.090547 4.505069 -6.952807 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=110) 0 -5.632717 3.722290 -7.479613 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=110) 0 -6.043161 5.174980 -5.963174 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=110) 0 -5.546463 5.990970 -5.437574 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=110) 0 -6.903799 5.574654 -6.493688 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=110) 0 -6.395860 4.438055 -5.244988 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=110) 0 -4.694713 5.483453 -7.883941 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=110) 0 -5.414508 5.519522 -8.540850 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=110) 0 -3.014135 3.102552 -7.264895 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=110) 0 -3.465923 2.092314 -7.803624 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=111) 0 -1.757069 3.520392 -7.465580 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=111) 0 -1.477765 4.390727 -7.034510 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=111) 0 -0.715930 2.786835 -8.193633 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=111) 0 -1.173166 2.331046 -9.071980 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=111) 0 0.330396 3.791393 -8.689213 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=111) 0 0.810727 4.284721 -7.845072 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=111) 0 1.097610 3.268332 -9.259310 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=111) 0 -0.140256 4.530705 -9.336940 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=111) 0 -0.071519 1.632302 -7.389177 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=111) 0 0.805351 0.936596 -7.904318 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=112) 0 -0.531699 1.367870 -6.159175 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=112) 0 -1.192281 2.019069 -5.752775 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=112) 0 -0.087428 0.245643 -5.314350 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=112) 0 0.782594 -0.221415 -5.774170 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=112) 0 0.381352 0.809738 -3.961328 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=112) 0 -0.424799 1.377293 -3.494519 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=112) 0 0.655282 -0.012973 -3.299249 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=112) 0 1.523832 1.632777 -4.117775 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=112) 0 1.254972 2.482234 -4.547989 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=112) 0 -1.121166 -0.898820 -5.126772 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=112) 0 -1.250412 -1.362181 -3.996679 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=113) 0 -1.873127 -1.379506 -6.148940 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=113) 0 -1.757846 -1.041207 -7.564491 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=113) 0 -0.751116 -1.225929 -7.938034 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=113) 0 -2.040060 -0.003167 -7.716985 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=113) 0 -2.771225 -1.904789 -8.311239 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=113) 0 -2.328228 -2.866167 -8.574410 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=113) 0 -3.153197 -1.402327 -9.198030 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=113) 0 -3.850735 -2.089023 -7.251590 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=113) 0 -4.520119 -2.915954 -7.485987 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=113) 0 -4.421310 -1.165634 -7.159825 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=113) 0 -3.000347 -2.316355 -5.990941 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=113) 0 -3.583432 -2.043047 -5.110020 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=113) 0 -2.564282 -3.792651 -5.829930 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=113) 0 -2.974204 -4.663707 -6.606767 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=114) 0 -1.711974 -4.099477 -4.847098 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=114) 0 -1.470025 -3.348037 -4.204938 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=114) 0 -1.144928 -5.444500 -4.622946 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=114) 0 -0.604320 -5.744074 -5.519449 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=114) 0 -0.153432 -5.366334 -3.449175 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=114) 0 0.646406 -4.671389 -3.708631 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=114) 0 -0.676137 -4.938017 -2.595744 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=114) 0 0.466584 -6.704150 -2.993848 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=114) 0 0.937095 -6.524193 -2.027161 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=114) 0 -0.310369 -7.442357 -2.810063 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=114) 0 1.546341 -7.267833 -3.940589 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=114) 0 1.937397 -6.462208 -4.564301 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=114) 0 2.376773 -7.631837 -3.333507 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=114) 0 1.096287 -8.415033 -4.849282 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=114) 0 0.234520 -8.096750 -5.435633 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=114) 0 1.912596 -8.641073 -5.540728 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=114) 0 0.762976 -9.632526 -4.078945 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=114) 0 -0.100152 -9.523799 -3.554519 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=114) 0 0.623376 -10.442521 -4.681352 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=114) 0 1.486311 -9.880613 -3.407354 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=114) 0 -2.243154 -6.476524 -4.351378 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=114) 0 -3.045689 -6.301722 -3.441551 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=115) 0 -2.253722 -7.589286 -5.080236 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=115) 0 -1.632654 -7.651578 -5.878694 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=115) 0 -3.163413 -8.711058 -4.807985 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=115) 0 -4.185807 -8.339768 -4.832360 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=115) 0 -3.007204 -9.772300 -5.909934 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=115) 0 -2.759152 -9.290097 -6.856738 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=115) 0 -2.182501 -10.437560 -5.652591 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=115) 0 -4.282138 -10.597994 -6.111883 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=115) 0 -4.026238 -11.499047 -6.672717 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=115) 0 -4.682384 -10.909001 -5.144614 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=115) 0 -5.331525 -9.808811 -6.901895 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=115) 0 -5.180216 -9.669457 -8.136439 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=115) 0 -6.337978 -9.351937 -6.316154 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=115) 0 -2.920737 -9.319752 -3.411792 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=115) 0 -1.777124 -9.578476 -3.035103 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=116) 0 -3.980317 -9.569806 -2.642079 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=116) 0 -4.906464 -9.350945 -2.996152 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=116) 0 -3.905617 -10.285782 -1.364175 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=116) 0 -2.903642 -10.187936 -0.943506 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=116) 0 -4.889587 -9.665033 -0.365520 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=116) 0 -4.498306 -8.693162 -0.070793 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=116) 0 -5.830246 -9.489525 -0.875377 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=116) 0 -5.197442 -10.496747 0.872530 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=116) 0 -4.521226 -10.249950 2.080204 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=116) 0 -3.773065 -9.473408 2.122980 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=116) 0 -4.831370 -10.997832 3.233439 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=116) 0 -4.323490 -10.798977 4.160832 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=116) 0 -5.825642 -11.996344 3.181988 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=116) 0 -6.138335 -12.719639 4.285243 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=116) 0 -5.523784 -12.556303 5.011270 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=116) 0 -6.496920 -12.252427 1.973268 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=116) 0 -7.244992 -13.029329 1.942491 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=116) 0 -6.176158 -11.512239 0.821727 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=116) 0 -6.677731 -11.740621 -0.106488 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=116) 0 -4.194072 -11.773541 -1.558935 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=116) 0 -5.105507 -12.150306 -2.300821 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=117) 0 -3.478898 -12.632693 -0.831302 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=117) 0 -2.731894 -12.269862 -0.254110 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=117) 0 -3.897273 -14.017975 -0.573204 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=117) 0 -4.982003 -14.034058 -0.492359 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=117) 0 -3.495385 -14.961701 -1.721542 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=117) 0 -2.409826 -14.971006 -1.814925 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=117) 0 -3.999512 -16.392383 -1.530763 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=117) 0 -5.089193 -16.409384 -1.497305 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=117) 0 -3.645490 -17.022482 -2.343885 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=117) 0 -3.605442 -16.810524 -0.610848 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=117) 0 -4.067041 -14.519515 -2.941133 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=117) 0 -4.564544 -13.701526 -2.733019 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=117) 0 -3.320081 -14.511501 0.757644 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=117) 0 -2.170155 -14.227272 1.092120 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=118) 0 -4.116069 -15.267338 1.510161 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=118) 0 -5.062824 -15.405897 1.166606 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=118) 0 -3.730199 -16.047467 2.685953 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=118) 0 -2.743910 -16.486072 2.528717 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=118) 0 -3.657477 -15.106316 3.899269 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=118) 0 -4.638192 -14.681937 4.090897 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=118) 0 -3.329386 -15.660260 4.777906 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=118) 0 -2.951760 -14.297186 3.708011 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=118) 0 -4.745690 -17.203435 2.848198 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=118) 0 -4.976152 -17.959342 1.897985 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=119) 0 -5.389272 -17.314864 4.013452 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=119) 0 -5.067956 -16.716991 4.758574 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=119) 0 -6.775061 -17.781192 4.123330 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=119) 0 -6.978037 -18.553685 3.383238 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=119) 0 -6.932230 -18.215711 5.107196 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=119) 0 -7.755848 -16.619330 3.898929 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=119) 0 -7.550669 -15.815291 2.986857 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=120) 0 -8.813697 -16.506158 4.711051 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=120) 0 -8.926586 -17.212467 5.433468 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=120) 0 -9.761499 -15.366527 4.710858 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=120) 0 -9.241547 -14.475054 4.355050 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=120) 0 -10.944214 -15.660077 3.769374 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=120) 0 -11.376070 -16.628092 4.015827 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=120) 0 -11.719822 -14.910297 3.924763 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=120) 0 -10.549912 -15.619211 2.289106 L H-H1 57 0.0000 H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=120) 0 -10.063163 -14.666269 2.074896 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=120) 0 -9.865610 -16.434616 2.058632 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=120) 0 -10.293913 -14.967655 6.094056 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=120) 0 -11.102296 -14.048226 6.176132 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=121) 0 -9.874435 -15.632534 7.166621 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=121) 0 -9.160226 -16.343370 7.054011 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=121) 0 -10.264060 -15.282271 8.533347 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=121) 0 -11.337338 -15.105126 8.534882 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=121) 0 -9.963861 -16.462501 9.477540 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=121) 0 -9.998939 -17.399435 8.919545 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=121) 0 -8.968698 -16.349101 9.911016 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=121) 0 -11.022453 -16.525699 10.582982 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=121) 0 -11.041776 -15.570713 11.101403 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=121) 0 -11.994455 -16.693154 10.120056 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=121) 0 -10.795461 -17.616105 11.623464 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=121) 0 -10.194692 -18.670933 11.310110 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=121) 0 -11.247700 -17.423906 12.776739 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=121) 0 -9.584847 -13.981372 8.994629 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=121) 0 -8.569696 -13.569364 8.431737 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=122) 0 -10.098817 -13.328216 10.036052 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=122) 0 -10.983684 -13.647200 10.428156 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=122) 0 -9.557161 -12.057910 10.512423 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=122) 0 -9.676891 -11.332974 9.710291 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=122) 0 -10.393185 -11.592908 11.697041 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=122) 0 -10.337070 -12.320784 12.506890 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=122) 0 -10.030935 -10.627946 12.050103 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=122) 0 -11.418373 -11.495765 11.352403 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=122) 0 -8.059662 -12.097035 10.860171 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=122) 0 -7.356334 -11.135535 10.567709 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=123) 0 -7.534580 -13.195560 11.406100 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=123) 0 -8.172293 -13.921271 11.715317 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=123) 0 -6.088187 -13.363202 11.602705 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=123) 0 -5.689125 -12.392834 11.897805 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=123) 0 -5.778624 -14.298464 12.778456 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=123) 0 -4.734448 -14.154140 13.061871 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=123) 0 -6.390482 -14.014150 13.636486 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=123) 0 -5.996665 -15.775404 12.465282 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=123) 0 -7.157949 -16.242695 12.545934 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=123) 0 -5.002797 -16.501289 12.227673 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=123) 0 -5.331784 -13.750812 10.318916 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=123) 0 -4.158699 -13.417174 10.205910 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=124) 0 -5.980045 -14.339193 9.306552 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=124) 0 -6.976887 -14.492300 9.398529 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=124) 0 -5.375505 -14.509782 7.971600 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=124) 0 -4.389719 -14.960898 8.085902 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=124) 0 -6.228653 -15.414179 7.065718 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=124) 0 -7.154125 -14.902032 6.807993 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=124) 0 -5.681919 -15.562021 6.135920 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=124) 0 -6.562139 -16.789853 7.633904 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=124) 0 -5.742519 -17.359571 8.384268 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=124) 0 -7.618371 -17.342535 7.252979 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=124) 0 -5.214507 -13.156430 7.260189 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=124) 0 -4.260312 -12.932296 6.509798 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=125) 0 -6.161400 -12.247074 7.492207 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=125) 0 -6.962516 -12.561317 8.035889 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=125) 0 -6.154297 -10.854105 7.038446 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=125) 0 -5.881163 -10.804138 5.986787 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=125) 0 -7.588218 -10.287988 7.190052 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=125) 0 -7.956446 -10.542937 8.181973 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=125) 0 -7.612571 -8.757059 7.072452 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=125) 0 -7.102240 -8.303754 7.921712 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=125) 0 -7.122774 -8.449424 6.153394 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=125) 0 -8.638274 -8.394509 7.066010 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=125) 0 -8.536589 -10.932958 6.150497 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=125) 0 -8.351740 -10.497484 5.167316 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=125) 0 -8.337058 -12.002430 6.080425 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=125) 0 -10.023009 -10.783957 6.501622 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=125) 0 -10.315560 -9.735871 6.522677 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=125) 0 -10.619103 -11.301950 5.751407 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=125) 0 -10.224374 -11.235382 7.472503 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=125) 0 -5.091217 -10.063934 7.812287 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=125) 0 -4.217452 -9.430197 7.216139 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=126) 0 -5.122182 -10.135816 9.144479 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=126) 0 -5.871079 -10.671724 9.575193 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=126) 0 -4.267720 -9.323463 10.014681 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=126) 0 -4.226667 -8.323161 9.584605 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=126) 0 -4.896325 -9.162274 11.413998 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=126) 0 -5.171394 -10.137481 11.813333 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=126) 0 -3.951422 -8.480233 12.405125 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=126) 0 -3.589203 -7.546199 11.978407 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=126) 0 -4.472969 -8.270747 13.340347 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=126) 0 -3.113001 -9.139205 12.626780 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=126) 0 -6.143296 -8.268954 11.309923 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=126) 0 -6.614940 -8.167852 12.285229 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=126) 0 -5.861201 -7.284025 10.946269 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=126) 0 -6.869599 -8.694429 10.620707 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=126) 0 -2.817694 -9.810923 10.025815 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=126) 0 -1.940476 -8.969526 9.866842 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=127) 0 -2.516273 -11.115187 10.085817 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=127) 0 -3.261746 -11.799332 10.181253 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=127) 0 -1.128039 -11.608950 9.998112 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=127) 0 -0.553039 -11.223690 10.842341 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=127) 0 -1.089760 -13.147270 10.017021 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=127) 0 -1.798971 -13.534876 9.290781 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=127) 0 -0.096971 -13.478174 9.714715 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=127) 0 -1.370062 -13.792564 11.355461 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=127) 0 -1.456161 -13.152039 12.394153 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=127) 0 -1.438295 -15.098488 11.381840 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=127) 0 -1.738611 -15.557439 12.233437 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=127) 0 -1.399468 -15.618293 10.516810 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=127) 0 -0.430946 -11.139931 8.713456 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=127) 0 0.746877 -10.790874 8.740373 L N-N--0.415700(PDBName=N,ResName=TRP,ResNum=128) 0 -1.158846 -11.104111 7.594988 L H-H-0.271900(PDBName=H,ResName=TRP,ResNum=128) 0 -2.119553 -11.416116 7.641617 L C-CT--0.027500(PDBName=CA,ResName=TRP,ResNum=128) 0 -0.639624 -10.648924 6.306988 L H-H1-0.112300(PDBName=HA,ResName=TRP,ResNum=128) 0 0.292302 -11.174858 6.095837 L C-CT--0.005000(PDBName=CB,ResName=TRP,ResNum=128) 0 -1.661980 -11.025896 5.234369 L H-HC-0.033900(PDBName=HB2,ResName=TRP,ResNum=128) 0 -1.962358 -12.063065 5.383240 L H-HC-0.033900(PDBName=HB3,ResName=TRP,ResNum=128) 0 -2.545307 -10.404284 5.369209 L C-C*--0.141500(PDBName=CG,ResName=TRP,ResNum=128) 0 -1.198465 -10.894923 3.821508 L C-CW--0.163800(PDBName=CD1,ResName=TRP,ResNum=128) 0 -0.698245 -11.897888 3.068627 L H-H4-0.206200(PDBName=HD1,ResName=TRP,ResNum=128) 0 -0.559686 -12.919181 3.403306 L N-NA--0.341800(PDBName=NE1,ResName=TRP,ResNum=128) 0 -0.384501 -11.425297 1.810779 L H-H-0.341200(PDBName=HE1,ResName=TRP,ResNum=128) 0 0.075165 -12.002757 1.110132 L C-CN-0.138000(PDBName=CE2,ResName=TRP,ResNum=128) 0 -0.692452 -10.089707 1.678926 L C-CA--0.260100(PDBName=CZ2,ResName=TRP,ResNum=128) 0 -0.584884 -9.178705 0.619194 L H-HA-0.157200(PDBName=HZ2,ResName=TRP,ResNum=128) 0 -0.193320 -9.496790 -0.337395 L C-CA--0.113400(PDBName=CH2,ResName=TRP,ResNum=128) 0 -0.983948 -7.847566 0.824206 L H-HA-0.141700(PDBName=HH2,ResName=TRP,ResNum=128) 0 -0.899723 -7.131323 0.018076 L C-CA--0.197200(PDBName=CZ3,ResName=TRP,ResNum=128) 0 -1.476239 -7.448815 2.081842 L H-HA-0.144700(PDBName=HZ3,ResName=TRP,ResNum=128) 0 -1.771176 -6.423962 2.247200 L C-CA--0.238700(PDBName=CE3,ResName=TRP,ResNum=128) 0 -1.578676 -8.369818 3.138459 L H-HA-0.170000(PDBName=HE3,ResName=TRP,ResNum=128) 0 -1.969370 -8.052190 4.092583 L C-CB-0.124300(PDBName=CD2,ResName=TRP,ResNum=128) 0 -1.195094 -9.715705 2.962224 L C-C-0.597300(PDBName=C,ResName=TRP,ResNum=128) 0 -0.340475 -9.140832 6.312702 L O-O--0.567900(PDBName=O,ResName=TRP,ResNum=128) 0 0.699062 -8.713722 5.809290 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=129) 0 -1.202877 -8.332257 6.939986 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=129) 0 -2.044414 -8.749623 7.324433 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=129) 0 -0.994267 -6.890807 7.133428 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=129) 0 -0.712292 -6.447630 6.177971 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=129) 0 -2.320981 -6.263403 7.607141 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=129) 0 -2.705774 -6.850705 8.440833 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=129) 0 -2.130915 -5.256251 7.979941 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=129) 0 -3.392022 -6.189300 6.499130 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=129) 0 -3.403966 -7.117617 5.929551 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=129) 0 -4.784325 -5.987414 7.098192 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=129) 0 -4.832200 -5.058829 7.660451 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=129) 0 -5.528317 -5.964663 6.303035 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=129) 0 -5.019031 -6.820091 7.760086 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=129) 0 -3.097998 -5.031192 5.542394 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=129) 0 -3.064391 -4.090047 6.088652 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=129) 0 -2.148333 -5.191664 5.034141 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=129) 0 -3.879823 -4.968200 4.790181 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=129) 0 0.161306 -6.598055 8.110308 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=129) 0 0.981533 -5.712414 7.846338 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=130) 0 0.307003 -7.392325 9.179068 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=130) 0 -0.414405 -8.095832 9.321808 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=130) 0 1.389548 -7.332944 10.188988 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=130) 0 1.524225 -6.292449 10.489566 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=130) 0 0.983090 -8.139641 11.446620 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=130) 0 0.898088 -9.186063 11.148080 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=130) 0 1.779227 -8.084435 12.190768 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=130) 0 -0.344268 -7.739583 12.125891 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=130) 0 -1.018483 -7.294086 11.397631 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=130) 0 -0.802908 -8.658501 12.492803 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=130) 0 -0.249650 -6.767341 13.307738 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=130) 0 0.410437 -7.175354 14.075281 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=130) 0 0.133309 -5.807686 12.958988 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=130) 0 -1.671389 -6.607131 13.872148 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=130) 0 -2.324898 -6.232531 13.081593 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=130) 0 -2.040783 -7.591392 14.175849 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=130) 0 -1.750866 -5.694950 15.029949 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=130) 0 -1.187381 -6.032242 15.803846 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=130) 0 -1.415594 -4.769785 14.801028 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=130) 0 -2.718037 -5.639545 15.364463 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=130) 0 2.762173 -7.795684 9.644574 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=130) 0 3.659734 -8.112794 10.422703 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=131) 0 2.926224 -7.850035 8.313965 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=131) 0 2.092934 -7.701515 7.764336 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=131) 0 4.178185 -8.138032 7.579552 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=131) 0 5.000775 -8.204938 8.295093 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=131) 0 4.054877 -9.498097 6.866063 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=131) 0 3.155779 -9.506993 6.251639 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=131) 0 4.917548 -9.663997 6.219330 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=131) 0 4.001238 -10.632916 7.889956 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=131) 0 4.969574 -10.685025 8.383407 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=131) 0 3.238340 -10.414712 8.633259 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=131) 0 3.706755 -12.001036 7.274305 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=131) 0 2.966791 -11.896503 6.480006 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=131) 0 4.627425 -12.401048 6.847611 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=131) 0 3.147142 -12.971925 8.322385 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=131) 0 2.139750 -12.646196 8.592850 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=131) 0 3.068660 -13.966403 7.873045 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=131) 0 3.982534 -13.038498 9.543775 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=131) 0 4.075473 -12.135060 10.001470 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=131) 0 3.591912 -13.695153 10.213127 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=131) 0 4.923695 -13.359498 9.333798 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=131) 0 4.584687 -7.032541 6.594336 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=131) 0 5.601672 -7.172243 5.913717 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=132) 0 3.809464 -5.945327 6.505733 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=132) 0 2.992297 -5.918950 7.097322 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=132) 0 4.079386 -4.811054 5.597646 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=132) 0 5.160017 -4.712396 5.475519 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=132) 0 3.483341 -5.123241 4.212661 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=132) 0 3.745905 -4.317495 3.527293 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=132) 0 3.948425 -6.034587 3.838188 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=132) 0 1.954194 -5.299774 4.203937 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=132) 0 1.651804 -6.058393 4.926517 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=132) 0 1.482088 -4.354104 4.470039 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=132) 0 1.458908 -5.714531 2.817195 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=132) 0 0.371108 -5.657524 2.809510 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=132) 0 1.835190 -4.998955 2.085502 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=132) 0 1.870752 -7.088428 2.471208 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=132) 0 1.617066 -7.839207 3.099608 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=132) 0 2.518248 -7.476384 1.390480 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=132) 0 2.897036 -6.662523 0.458219 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=132) 0 2.765442 -5.653368 0.531885 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=132) 0 3.448276 -7.010348 -0.308852 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=132) 0 2.810883 -8.730312 1.233111 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=132) 0 2.562547 -9.365157 1.984886 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=132) 0 3.306145 -9.055535 0.416632 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=132) 0 3.614177 -3.442678 6.097936 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=132) 0 4.123550 -2.423352 5.646993 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=133) 0 2.623743 -3.394323 6.985067 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=133) 0 2.249503 -4.259386 7.339488 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=133) 0 2.085708 -2.132621 7.522725 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=133) 0 2.034092 -1.408161 6.708823 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=133) 0 0.661942 -2.309047 8.053844 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=133) 0 0.321808 -1.361873 8.472028 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=133) 0 -0.299664 -2.729529 6.941904 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=133) 0 -0.054253 -3.719075 6.561313 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=133) 0 -1.319176 -2.736632 7.322611 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=133) 0 -0.227797 -2.017745 6.123748 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=133) 0 0.621171 -3.295779 9.052552 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=133) 0 0.784321 -4.155235 8.635701 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=133) 0 3.007586 -1.522317 8.581371 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=133) 0 3.783605 -2.228797 9.225746 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=134) 0 2.947341 -0.199670 8.741037 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=134) 0 2.238977 0.307344 8.231095 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=134) 0 4.087055 0.594351 9.210772 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=134) 0 3.725733 1.467274 9.754238 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=134) 0 4.707893 0.000860 9.882235 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=134) 0 4.940292 1.072627 8.022898 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=134) 0 4.518903 0.908664 6.870829 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=135) 0 6.113998 1.687780 8.255054 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=135) 0 6.781485 1.851015 9.538179 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=135) 0 6.754800 0.931970 10.124595 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=135) 0 6.314791 2.669232 10.088662 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=135) 0 8.230551 2.211190 9.204316 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=135) 0 8.817598 1.303065 9.064158 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=135) 0 8.679993 2.839488 9.973364 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=135) 0 8.103251 2.949620 7.872539 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=135) 0 9.021266 2.892936 7.286090 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=135) 0 7.842530 3.987738 8.064998 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=135) 0 6.925206 2.256940 7.181799 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=135) 0 6.339604 3.001286 6.645412 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=135) 0 7.385417 1.179669 6.195664 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=135) 0 7.870812 0.124973 6.607050 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=136) 0 7.255139 1.450430 4.892484 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=136) 0 6.816947 2.326931 4.623240 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=136) 0 7.623781 0.486442 3.848641 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=136) 0 7.070521 -0.440693 4.013102 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=136) 0 7.243780 1.043102 2.475828 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=136) 0 7.733578 2.002508 2.315898 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=136) 0 7.562783 0.342421 1.702217 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=136) 0 6.168342 1.163453 2.395282 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=136) 0 9.118314 0.136113 3.873188 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=136) 0 9.480577 -0.998839 3.571455 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=137) 0 9.976890 1.086525 4.260202 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=137) 0 9.605677 1.985830 4.517757 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=137) 0 11.359576 0.793649 4.604895 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=137) 0 11.695636 -0.039741 3.997061 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=137) 0 12.260461 1.978818 4.250066 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=137) 0 12.081462 2.809426 4.929555 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=137) 0 13.295549 1.660498 4.346467 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=137) 0 12.086564 2.295721 3.222331 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=137) 0 11.445280 0.375340 6.081116 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=137) 0 11.424951 1.221765 6.978696 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=138) 0 11.536943 -0.930158 6.327117 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=138) 0 11.509436 -1.571861 5.538080 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=138) 0 11.689918 -1.518444 7.663949 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=138) 0 10.828689 -1.246543 8.268887 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=138) 0 11.768893 -3.047228 7.558149 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=138) 0 12.690695 -3.312913 7.045033 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=138) 0 11.728781 -3.751685 8.912820 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=138) 0 10.809901 -3.494494 9.438911 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=138) 0 11.763207 -4.830988 8.762460 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=138) 0 12.589183 -3.460854 9.515753 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=138) 0 10.677701 -3.539148 6.814208 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=138) 0 10.956604 -4.400922 6.442652 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=138) 0 12.963477 -0.999955 8.327555 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=138) 0 14.031525 -1.036677 7.718400 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=139) 0 12.891034 -0.520997 9.568061 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=139) 0 11.996989 -0.502075 10.044181 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=139) 0 14.072075 0.057367 10.231763 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=139) 0 14.620740 0.633573 9.487900 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=139) 0 13.682735 1.048537 11.332113 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=139) 0 13.236377 0.509431 12.166853 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=139) 0 14.892559 1.845134 11.817594 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=139) 0 15.361221 2.363191 10.980149 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=139) 0 14.573119 2.578701 12.553697 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=139) 0 15.617951 1.182185 12.287988 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=139) 0 12.744238 1.978380 10.827032 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=139) 0 11.912949 1.819414 11.316574 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=139) 0 15.009487 -1.038386 10.752168 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=139) 0 14.590022 -1.934022 11.485802 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=140) 0 16.286406 -0.964918 10.369861 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=140) 0 16.535176 -0.193017 9.759049 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=140) 0 17.322516 -1.975274 10.593164 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=140) 0 16.883183 -2.861009 11.049602 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=140) 0 17.923703 -2.378879 9.232580 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=140) 0 18.320633 -1.480782 8.762683 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=140) 0 18.762830 -3.053452 9.413239 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=140) 0 16.968918 -3.044061 8.228653 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=140) 0 16.098344 -2.417318 8.065469 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=140) 0 17.708231 -3.190900 6.898963 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=140) 0 18.660687 -3.690576 7.058567 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=140) 0 17.112878 -3.766420 6.193586 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=140) 0 17.893949 -2.202026 6.481674 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=140) 0 16.510404 -4.419252 8.706278 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=140) 0 15.905170 -4.314600 9.606590 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=140) 0 15.901870 -4.896947 7.940086 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=140) 0 17.376451 -5.039979 8.917169 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=140) 0 18.438107 -1.422832 11.501541 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=140) 0 19.183181 -0.532012 11.073860 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=141) 0 18.614334 -1.934621 12.731285 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=141) 0 17.691428 -2.801763 13.451337 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=141) 0 17.630295 -3.789564 12.992207 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=141) 0 16.706816 -2.335416 13.476615 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=141) 0 18.239487 -2.914498 14.875487 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=141) 0 18.868326 -3.799993 14.961180 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=141) 0 17.439551 -2.937953 15.616298 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=141) 0 19.115421 -1.676049 15.025177 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=141) 0 19.888851 -1.822663 15.779653 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=141) 0 18.493316 -0.815780 15.278221 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=141) 0 19.690421 -1.496285 13.618019 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=141) 0 19.902937 -0.440397 13.461335 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=141) 0 21.004032 -2.273000 13.418376 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=141) 0 22.043858 -1.823542 13.906806 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=142) 0 20.975306 -3.419854 12.728491 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=142) 0 20.088839 -3.729041 12.357774 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=142) 0 22.082485 -4.380785 12.655416 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=142) 0 23.022049 -3.839410 12.771954 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=142) 0 21.961340 -5.352822 13.835376 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=142) 0 22.916471 -5.864648 13.962600 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=142) 0 21.757378 -4.802788 14.756090 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=142) 0 20.869156 -6.391477 13.594932 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=142) 0 21.197652 -7.464895 13.043791 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=142) 0 19.696328 -6.158348 13.958581 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=142) 0 22.157567 -5.160469 11.320811 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=142) 0 21.205896 -5.206431 10.535041 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=143) 0 23.308398 -5.795077 11.072249 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=143) 0 24.050575 -5.743407 11.764870 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=143) 0 23.608167 -6.517065 9.833991 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=143) 0 23.359980 -5.883509 8.983747 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=143) 0 24.680230 -6.710646 9.812671 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=143) 0 22.895944 -7.863666 9.651395 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=143) 0 22.741003 -8.297373 8.506246 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=144) 0 22.438021 -8.520433 10.722106 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=144) 0 22.491089 -8.073202 11.630590 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=144) 0 21.702731 -9.785262 10.638203 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=144) 0 22.171546 -10.411754 9.884145 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=144) 0 21.799756 -10.555064 11.958066 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=144) 0 21.284802 -10.021245 12.755611 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=144) 0 21.336703 -11.535612 11.840028 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=144) 0 22.845675 -10.696486 12.223953 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=144) 0 20.244872 -9.539692 10.229838 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=144) 0 19.701850 -10.260285 9.388201 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=145) 0 19.621531 -8.483908 10.761785 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=145) 0 20.100262 -7.955763 11.490137 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=145) 0 18.317416 -8.021289 10.291990 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=145) 0 17.596895 -8.834817 10.393618 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=145) 0 17.862312 -6.859730 11.183770 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=145) 0 18.566418 -6.028936 11.117115 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=145) 0 16.873508 -6.522345 10.872381 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=145) 0 17.803598 -7.191718 12.220813 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=145) 0 18.375818 -7.632546 8.800674 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=145) 0 17.512772 -8.039036 8.021019 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=146) 0 19.434397 -6.924724 8.383271 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=146) 0 20.091808 -6.593499 9.079764 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=146) 0 19.637606 -6.516760 6.992480 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=146) 0 18.790325 -5.901162 6.690428 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=146) 0 20.909532 -5.662480 6.920119 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=146) 0 21.776740 -6.249549 7.216675 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=146) 0 21.064189 -5.316419 5.898965 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=146) 0 20.814146 -4.801483 7.582073 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=146) 0 19.688748 -7.704018 6.012196 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=146) 0 18.940281 -7.725280 5.034997 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=147) 0 20.502370 -8.730518 6.281775 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=147) 0 21.103658 -8.678876 7.095835 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=147) 0 20.613973 -9.881948 5.370400 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=147) 0 20.790585 -9.497660 4.365077 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=147) 0 21.815507 -10.762932 5.726160 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=147) 0 21.891653 -11.555533 4.980637 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=147) 0 22.722479 -10.161514 5.683614 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=147) 0 21.704419 -11.391572 7.115857 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=147) 0 21.932242 -10.627628 7.849262 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=147) 0 20.694844 -11.753635 7.299274 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=147) 0 22.658383 -12.562232 7.279160 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=147) 0 22.178718 -13.717928 7.267276 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=147) 0 23.878046 -12.331568 7.440257 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=147) 0 19.342485 -10.742107 5.295741 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=147) 0 19.115670 -11.400266 4.280993 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=148) 0 18.505623 -10.748338 6.340326 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=148) 0 18.763540 -10.219266 7.166202 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=148) 0 17.243801 -11.498848 6.347519 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=148) 0 17.371765 -12.387341 5.730209 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=148) 0 16.916090 -11.987286 7.754854 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=148) 0 17.814993 -12.396737 8.217113 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=148) 0 16.544245 -11.157948 8.358840 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=148) 0 15.941112 -13.008527 7.662835 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=148) 0 16.419059 -13.870424 7.655994 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=148) 0 16.085696 -10.694088 5.750187 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=148) 0 15.118152 -11.274819 5.248333 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=149) 0 16.188081 -9.361597 5.715656 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=149) 0 16.946538 -8.916356 6.224242 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=149) 0 15.357233 -8.524390 4.850776 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=149) 0 14.316149 -8.822060 4.979773 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=149) 0 15.479261 -7.058664 5.296611 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=149) 0 15.271549 -7.033447 6.367697 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=149) 0 16.497434 -6.696581 5.152340 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=149) 0 14.483797 -6.128746 4.574642 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=149) 0 13.575842 -6.681113 4.331657 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=149) 0 14.102881 -4.980180 5.499879 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=149) 0 14.968836 -4.364387 5.722344 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=149) 0 13.335545 -4.377047 5.020257 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=149) 0 13.689140 -5.375658 6.427048 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=149) 0 15.061537 -5.522867 3.292466 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=149) 0 15.267940 -6.297163 2.558410 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=149) 0 14.337640 -4.836220 2.855105 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=149) 0 15.978386 -4.976907 3.510131 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=149) 0 15.722193 -8.763767 3.379768 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=149) 0 14.834279 -9.068767 2.583121 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=150) 0 17.017470 -8.758680 3.042774 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=150) 0 17.693068 -8.475082 3.748100 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=150) 0 17.517672 -9.118417 1.700804 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=150) 0 17.058862 -8.448099 0.981602 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=150) 0 19.046718 -8.922269 1.619193 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=150) 0 19.515580 -9.393370 2.480981 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=150) 0 19.674593 -9.520680 0.354549 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=150) 0 19.130893 -9.181986 -0.526661 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=150) 0 20.719621 -9.219930 0.275867 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=150) 0 19.639636 -10.609237 0.397357 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=150) 0 19.375773 -7.425260 1.638250 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=150) 0 18.981814 -6.967525 2.541531 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=150) 0 20.456469 -7.278760 1.623922 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=150) 0 18.934089 -6.932208 0.773066 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=150) 0 17.102042 -10.534176 1.285907 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=150) 0 16.812327 -10.772878 0.116252 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=151) 0 16.994159 -11.470014 2.229095 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=151) 0 17.372796 -11.264110 3.146106 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=151) 0 16.528547 -12.832284 1.953891 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=151) 0 17.074770 -13.194669 1.083067 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=151) 0 16.859282 -13.720385 3.164570 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=151) 0 17.800296 -13.397433 3.591480 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=151) 0 16.097034 -13.587866 3.930253 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=151) 0 16.989258 -15.211114 2.835112 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=151) 0 17.221550 -15.750108 3.753564 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=151) 0 16.037595 -15.585630 2.455681 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=151) 0 18.102422 -15.470781 1.818532 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=151) 0 19.258628 -15.050906 2.056287 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=151) 0 17.811733 -16.060888 0.750078 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=151) 0 15.026940 -12.925792 1.631011 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=151) 0 14.603912 -13.888993 0.989394 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=152) 0 14.206446 -11.959719 2.058840 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=152) 0 14.624763 -11.157930 2.515686 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=152) 0 12.735567 -12.090199 2.075927 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=152) 0 12.527640 -13.100217 2.421582 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=152) 0 12.119690 -11.176120 3.138773 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=152) 0 11.049655 -11.378871 3.208100 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=152) 0 12.568925 -11.411872 4.103081 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=152) 0 12.307787 -9.799179 2.869389 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=152) 0 13.246030 -9.615362 2.653972 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=152) 0 12.031485 -11.968436 0.708371 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=152) 0 10.813429 -12.143210 0.612508 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=153) 0 12.792124 -11.725851 -0.358841 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=153) 0 13.786145 -11.614025 -0.205369 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=153) 0 12.354052 -11.680696 -1.760308 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=153) 0 11.611914 -12.452705 -1.950835 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=153) 0 11.728522 -10.305400 -2.008465 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=153) 0 10.764238 -10.252881 -1.500647 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=153) 0 12.394568 -9.570059 -1.562631 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=153) 0 11.564788 -9.943725 -3.365948 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=153) 0 12.105265 -9.129441 -3.460600 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=153) 0 13.566039 -11.918883 -2.667732 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=153) 0 14.701667 -11.673553 -2.257471 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=154) 0 13.368954 -12.354488 -3.913503 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=154) 0 12.421695 -12.550206 -4.222477 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=154) 0 14.467016 -12.521911 -4.891028 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=154) 0 15.247433 -13.127312 -4.435845 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=154) 0 13.962592 -13.267580 -6.128666 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=154) 0 13.153608 -12.698598 -6.586169 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=154) 0 14.772015 -13.354459 -6.855040 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=154) 0 13.485068 -14.675362 -5.767307 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=154) 0 14.344767 -15.270511 -5.456473 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=154) 0 12.777431 -14.641721 -4.937444 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=154) 0 12.794001 -15.316551 -6.960636 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=154) 0 13.429746 -16.130279 -7.670102 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=154) 0 11.593017 -15.031336 -7.183263 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=154) 0 15.122310 -11.193070 -5.310419 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=154) 0 16.173790 -11.193552 -5.950425 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=155) 0 14.500245 -10.080399 -4.912099 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=155) 0 13.625854 -10.228973 -4.429466 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=155) 0 14.917957 -8.682028 -5.056299 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=155) 0 15.989525 -8.625045 -5.238087 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=155) 0 14.157349 -8.039608 -6.230783 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=155) 0 13.087803 -8.170817 -6.064329 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=155) 0 14.427285 -6.536604 -6.332487 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=155) 0 15.491196 -6.352972 -6.483624 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=155) 0 13.842028 -6.139423 -7.154855 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=155) 0 14.096430 -6.020495 -5.432986 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=155) 0 14.511573 -8.691386 -7.575414 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=155) 0 14.286736 -9.756715 -7.549118 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=155) 0 13.901832 -8.258337 -8.366438 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=155) 0 15.568550 -8.555747 -7.797774 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=155) 0 14.574292 -7.934584 -3.761817 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=155) 0 13.456106 -8.082639 -3.268724 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=156) 0 15.479136 -7.105817 -3.239794 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=156) 0 16.369286 -7.015038 -3.722326 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=156) 0 15.293344 -6.270265 -2.045118 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=156) 0 14.242459 -6.012282 -1.928124 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=156) 0 15.721977 -7.086538 -0.822898 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=156) 0 16.773604 -7.356302 -0.920771 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=156) 0 15.577007 -6.499568 0.084568 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=156) 0 15.121071 -7.994708 -0.753166 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=156) 0 16.095005 -4.955415 -2.147908 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=156) 0 16.980296 -4.833758 -2.993177 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=157) 0 15.833467 -3.963438 -1.290320 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=157) 0 15.079278 -4.085238 -0.616242 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=157) 0 16.593489 -2.692779 -1.266688 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=157) 0 17.567584 -2.856350 -1.723351 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=157) 0 15.874184 -1.582600 -2.070652 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=157) 0 14.968914 -1.291799 -1.538753 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=157) 0 16.766555 -0.348461 -2.242466 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=157) 0 17.671343 -0.614330 -2.788625 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=157) 0 16.229095 0.421098 -2.796601 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=157) 0 17.042063 0.055554 -1.271376 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=157) 0 15.483432 -2.000346 -3.495156 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=157) 0 14.779306 -2.824905 -3.454930 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=157) 0 14.996710 -1.171213 -4.009049 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=157) 0 16.365165 -2.311373 -4.053215 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=157) 0 16.840246 -2.231596 0.172303 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=157) 0 15.941980 -2.313314 1.004096 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=158) 0 18.029790 -1.704030 0.480933 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=158) 0 18.739923 -1.654626 -0.244795 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=158) 0 18.316482 -1.045039 1.767259 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=158) 0 17.376667 -0.928869 2.293213 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=158) 0 19.218420 -1.904624 2.686861 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=158) 0 20.159289 -2.094401 2.172457 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=158) 0 19.522855 -1.152747 4.001894 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=158) 0 18.598784 -0.929730 4.534577 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=158) 0 20.179312 -1.738604 4.642026 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=158) 0 20.049219 -0.219559 3.802918 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=158) 0 18.535682 -3.260280 2.991706 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=158) 0 17.603268 -3.077348 3.527069 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=158) 0 18.292194 -3.764067 2.056636 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=158) 0 19.386006 -4.240802 3.805791 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=158) 0 18.827007 -5.165024 3.942616 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=158) 0 20.316397 -4.455739 3.278877 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=158) 0 19.606686 -3.835110 4.789599 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=158) 0 18.869157 0.366776 1.540147 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=158) 0 19.778217 0.564698 0.735182 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=159) 0 18.322604 1.344917 2.262320 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=159) 0 17.554690 1.094803 2.877228 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=159) 0 18.823524 2.715706 2.349622 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=159) 0 19.388427 2.962802 1.452457 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=159) 0 17.990164 3.410875 2.424697 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=159) 0 19.715572 2.905582 3.573675 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=159) 0 19.373697 2.477215 4.674398 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=160) 0 20.850716 3.562123 3.378435 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=160) 0 21.019811 3.952777 2.457721 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=160) 0 21.917625 3.753612 4.353070 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=160) 0 21.662314 3.277960 5.300404 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=160) 0 23.201557 3.103879 3.812486 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=160) 0 23.460569 3.557331 2.854066 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=160) 0 24.019658 3.317426 4.497224 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=160) 0 23.106890 1.602886 3.626436 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=160) 0 22.566499 1.071666 2.441451 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=160) 0 22.209102 1.732348 1.664980 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=160) 0 22.473058 -0.318663 2.271628 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=160) 0 22.021798 -0.714589 1.378477 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=160) 0 22.940296 -1.187721 3.269827 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=160) 0 22.866673 -2.257916 3.134903 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=160) 0 23.488939 -0.658414 4.449075 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=160) 0 23.849990 -1.321248 5.216100 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=160) 0 23.564102 0.732880 4.632489 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=160) 0 23.977265 1.134204 5.544808 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=160) 0 22.074577 5.253826 4.590446 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=160) 0 22.742332 5.944728 3.821150 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=161) 0 21.416405 5.758968 5.633494 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=161) 0 20.929555 5.119385 6.254555 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=161) 0 21.339999 7.184301 5.941615 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=161) 0 22.137875 7.711011 5.421792 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=161) 0 20.012525 7.762826 5.443967 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=161) 0 19.182814 7.261298 5.945228 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=161) 0 19.986553 8.816078 5.723571 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=161) 0 19.835907 7.657877 3.944423 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=161) 0 20.591936 8.486216 3.095324 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=161) 0 21.269544 9.214285 3.515884 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=161) 0 20.502532 8.338226 1.702274 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=161) 0 21.119472 8.946345 1.054659 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=161) 0 19.631905 7.379451 1.159324 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=161) 0 19.572480 7.256209 0.091596 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=161) 0 18.860281 6.562582 2.003754 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=161) 0 18.202016 5.819615 1.581826 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=161) 0 18.968228 6.694462 3.397829 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=161) 0 18.397288 6.048273 4.048307 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=161) 0 21.513506 7.415267 7.438469 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=161) 0 20.581861 7.234241 8.222348 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=162) 0 22.715533 7.836535 7.839069 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=162) 0 23.418884 8.005058 7.118869 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=162) 0 23.044499 8.169950 9.231081 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=162) 0 22.849134 7.304197 9.862524 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=162) 0 24.545157 8.479095 9.295521 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=162) 0 25.099626 7.600795 8.958676 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=162) 0 24.770253 9.308704 8.622110 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=162) 0 25.003422 8.845116 10.711515 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=162) 0 24.516361 9.774886 10.998826 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=162) 0 24.703622 8.066597 11.414939 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=162) 0 26.529673 9.009137 10.760546 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=162) 0 26.974454 8.036835 10.971907 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=162) 0 26.905990 9.340949 9.793075 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=162) 0 26.975252 10.016454 11.824374 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=162) 0 26.593911 9.708439 12.802748 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=162) 0 28.067601 10.009730 11.872439 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=162) 0 26.500193 11.382185 11.498826 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=162) 0 25.491019 11.454315 11.600245 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=162) 0 26.894835 12.074799 12.128862 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=162) 0 26.715961 11.643892 10.539032 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=162) 0 22.161589 9.306451 9.765530 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=162) 0 21.805642 9.301441 10.942989 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=163) 0 21.745864 10.228885 8.899371 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=163) 0 22.114827 10.192669 7.955445 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=163) 0 20.706058 11.219745 9.159519 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=163) 0 20.489483 11.234713 10.227889 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=163) 0 21.223002 12.611265 8.779499 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=163) 0 22.263584 12.704911 9.096845 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=163) 0 21.186249 12.762037 7.700551 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=163) 0 20.394192 13.666941 9.495920 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=163) 0 19.168844 13.756029 9.270560 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=163) 0 20.953643 14.304450 10.417302 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=163) 0 19.405937 10.853835 8.424815 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=163) 0 19.242845 11.117112 7.231637 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=164) 0 18.463966 10.233293 9.134255 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=164) 0 18.631655 10.070690 10.116873 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=164) 0 17.213510 9.724957 8.545718 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=164) 0 17.471342 9.353509 7.558328 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=164) 0 16.718773 8.489745 9.323394 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=164) 0 17.511376 7.741136 9.284030 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=164) 0 16.451683 8.798487 10.792693 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=164) 0 15.717375 9.599500 10.877835 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=164) 0 16.078852 7.906010 11.291194 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=164) 0 17.379259 9.088274 11.278089 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=164) 0 15.468448 7.850644 8.717058 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=164) 0 15.606340 7.728039 7.645423 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=164) 0 15.298566 6.874420 9.172827 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=164) 0 14.599109 8.479234 8.897936 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=164) 0 16.150284 10.816352 8.312395 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=164) 0 15.231958 10.621095 7.516330 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=165) 0 16.289667 12.003647 8.909690 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=165) 0 17.035827 12.108451 9.588735 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=165) 0 15.488914 13.197300 8.573294 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=165) 0 14.480250 12.879623 8.312502 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=165) 0 15.375399 14.138491 9.789942 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=165) 0 16.260748 14.063043 10.418356 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=165) 0 15.322396 15.169737 9.438784 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=165) 0 14.114439 13.894312 10.628268 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=165) 0 14.063589 14.661379 11.403817 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=165) 0 13.239495 14.017031 9.988255 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=165) 0 14.070784 12.512505 11.282733 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=165) 0 14.440809 12.393617 12.475025 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=165) 0 13.594937 11.550345 10.636851 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=165) 0 16.000461 13.959882 7.334345 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=165) 0 15.293328 14.840338 6.826077 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=166) 0 17.191716 13.635967 6.821033 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=166) 0 17.748209 12.947340 7.313484 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=166) 0 17.759661 14.261379 5.617836 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=166) 0 17.770027 15.338556 5.784482 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=166) 0 19.213920 13.825742 5.404293 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=166) 0 19.655782 14.445622 4.622958 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=166) 0 19.778111 13.980808 6.324571 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=166) 0 19.304445 12.468962 5.008406 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=166) 0 19.202020 11.920977 5.822103 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=166) 0 16.937715 14.001928 4.347205 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=166) 0 16.199962 13.016906 4.249660 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=167) 0 17.087578 14.891703 3.358176 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=167) 0 17.645349 15.718855 3.534095 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=167) 0 16.386841 14.864663 2.066068 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=167) 0 15.358767 15.202420 2.199590 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=167) 0 17.101222 15.805456 1.077646 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=167) 0 18.164813 15.561983 1.039692 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=167) 0 16.685244 15.636583 0.082478 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=167) 0 16.947180 17.282576 1.424338 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=167) 0 17.190982 17.661473 2.593752 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=167) 0 16.543856 18.058517 0.532819 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=167) 0 16.352246 13.463603 1.451994 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=167) 0 15.280376 12.927817 1.176452 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=168) 0 17.532481 12.863646 1.296577 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=168) 0 18.354798 13.393944 1.545178 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=168) 0 17.757857 11.573029 0.648252 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=168) 0 17.334189 11.594934 -0.355005 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=168) 0 19.263603 11.368237 0.528705 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=168) 0 19.723934 11.397889 1.518367 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=168) 0 19.467347 10.398149 0.077497 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=168) 0 19.801744 12.398949 -0.279441 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=168) 0 20.757307 12.186223 -0.380476 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=168) 0 17.144281 10.393306 1.399365 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=168) 0 16.634679 9.466727 0.772428 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=169) 0 17.124211 10.437313 2.731712 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=169) 0 17.498870 11.251123 3.202416 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=169) 0 16.513090 9.393633 3.546939 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=169) 0 16.873172 8.419691 3.214610 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=169) 0 16.956065 9.620659 4.986663 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=169) 0 16.575190 10.575786 5.346781 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=169) 0 16.575105 8.812874 5.610048 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=169) 0 18.040474 9.647245 5.040066 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=169) 0 14.982486 9.401199 3.430514 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=169) 0 14.352223 8.352671 3.273476 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=170) 0 14.379448 10.594895 3.437465 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=170) 0 14.959969 11.418117 3.587043 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=170) 0 12.933586 10.775208 3.254816 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=170) 0 12.412890 10.003568 3.817574 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=170) 0 12.532841 12.137892 3.835383 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=170) 0 13.184906 12.897601 3.404292 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=170) 0 11.513384 12.373731 3.541819 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=170) 0 12.624994 12.201806 5.375467 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=170) 0 13.598879 11.838854 5.703712 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=170) 0 12.542359 13.245850 5.673715 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=170) 0 11.505204 11.426781 6.094654 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=170) 0 10.546275 11.831130 5.765624 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=170) 0 11.534161 10.370392 5.834481 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=170) 0 11.598376 11.595908 7.619038 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=170) 0 11.861225 12.635555 7.834018 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=170) 0 10.617484 11.414294 8.067172 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=170) 0 12.592428 10.691250 8.242182 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=170) 0 13.466620 10.655045 7.726787 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=170) 0 12.846629 11.028027 9.172033 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=170) 0 12.244799 9.747037 8.386914 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=170) 0 12.497968 10.572593 1.795652 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=170) 0 11.418447 10.026141 1.574339 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=171) 0 13.355343 10.879032 0.818087 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=171) 0 14.186361 11.403321 1.070054 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=171) 0 13.200097 10.473459 -0.589132 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=171) 0 12.247400 10.837106 -0.975078 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=171) 0 14.347182 11.060459 -1.425051 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=171) 0 15.282017 10.911512 -0.891685 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=171) 0 14.427385 10.510497 -2.362423 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=171) 0 14.195679 12.553710 -1.736834 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=171) 0 13.814286 13.082172 -0.871087 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=171) 0 15.182871 12.955660 -1.960209 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=171) 0 13.280106 12.842985 -2.915882 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=171) 0 12.422962 12.059599 -3.304315 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=171) 0 13.462846 13.957570 -3.569630 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=171) 0 12.827386 14.186119 -4.323204 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=171) 0 14.159302 14.622673 -3.242345 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=171) 0 13.223430 8.949067 -0.753500 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=171) 0 12.410353 8.387322 -1.485772 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=172) 0 14.130016 8.265833 -0.050965 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=172) 0 14.835744 8.778158 0.468349 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=172) 0 14.216802 6.809434 -0.064577 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=172) 0 14.214999 6.476740 -1.096075 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=172) 0 15.539524 6.377427 0.571683 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=172) 0 16.364766 6.690705 -0.069311 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=172) 0 15.660926 6.873452 1.534433 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=172) 0 15.608441 4.884567 0.778204 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=172) 0 15.804630 4.028872 -0.318564 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=172) 0 15.956879 4.437231 -1.304296 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=172) 0 15.769373 2.638665 -0.138229 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=172) 0 15.897948 1.985606 -0.985089 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=172) 0 15.532850 2.101804 1.136970 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=172) 0 15.501039 1.029647 1.277835 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=172) 0 15.318957 2.958483 2.228026 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=172) 0 15.118707 2.546144 3.201164 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=172) 0 15.361416 4.348836 2.052481 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=172) 0 15.176677 5.006361 2.888044 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=172) 0 12.997531 6.141803 0.582845 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=172) 0 12.440029 5.208005 0.004684 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=173) 0 12.508656 6.674372 1.707244 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=173) 0 13.045387 7.400916 2.170600 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=173) 0 11.201689 6.299852 2.254767 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=173) 0 11.209389 5.231242 2.472538 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=173) 0 10.951865 7.079323 3.559876 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=173) 0 11.304135 8.100998 3.432786 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=173) 0 9.879666 7.127982 3.757928 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=173) 0 11.652463 6.431212 4.769147 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=173) 0 12.620535 6.035896 4.462871 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=173) 0 11.884559 7.449624 5.884327 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=173) 0 10.936649 7.891951 6.190327 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=173) 0 12.346606 6.955386 6.739746 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=173) 0 12.563569 8.222913 5.527515 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=173) 0 10.801935 5.289462 5.331403 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=173) 0 10.588885 4.561119 4.551740 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=173) 0 11.339727 4.798333 6.143038 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=173) 0 9.859448 5.679383 5.715768 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=173) 0 10.086506 6.521609 1.220020 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=173) 0 9.290000 5.618128 0.993475 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=174) 0 10.075732 7.649720 0.505318 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=174) 0 10.740332 8.378904 0.737800 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=174) 0 9.106422 7.906811 -0.566281 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=174) 0 8.116702 7.741378 -0.141232 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=174) 0 9.209497 9.379637 -1.014589 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=174) 0 10.190512 9.780102 -0.765662 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=174) 0 9.104566 9.448366 -2.093820 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=174) 0 8.132000 10.263249 -0.370664 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=174) 0 8.133931 10.117991 0.709454 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=174) 0 8.361536 11.308821 -0.573647 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=174) 0 6.745047 9.949518 -0.920529 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=174) 0 6.010789 9.117327 -0.403759 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=174) 0 6.338150 10.529185 -2.025494 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=174) 0 5.398400 10.337682 -2.357406 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=174) 0 6.911668 11.219188 -2.505005 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=174) 0 9.203275 6.931896 -1.759627 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=174) 0 8.183513 6.689974 -2.408811 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=175) 0 10.364515 6.328489 -2.034088 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=175) 0 11.184378 6.610693 -1.510193 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=175) 0 10.500450 5.241511 -3.010853 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=175) 0 9.913180 5.484119 -3.896522 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=175) 0 11.966848 5.128715 -3.435221 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=175) 0 12.573750 4.783807 -2.598430 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=175) 0 12.052938 4.414605 -4.255167 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=175) 0 12.331288 6.098605 -3.766080 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=175) 0 9.968558 3.901768 -2.472786 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=175) 0 9.190901 3.231659 -3.153698 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=176) 0 10.323551 3.544520 -1.234282 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=176) 0 10.971354 4.138549 -0.726921 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=176) 0 9.816804 2.348428 -0.558890 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=176) 0 10.122335 1.464220 -1.116022 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=176) 0 10.432371 2.304491 0.845187 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=176) 0 10.082809 3.146356 1.441799 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=176) 0 10.138352 1.378164 1.335223 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=176) 0 11.518884 2.349747 0.778321 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=176) 0 8.282388 2.348361 -0.485188 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=176) 0 7.617911 1.367808 -0.805133 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=177) 0 7.709018 3.498334 -0.136843 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=177) 0 8.325563 4.260059 0.134592 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=177) 0 6.268797 3.727642 -0.024716 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=177) 0 5.835601 2.897289 0.531533 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=177) 0 6.071896 5.027408 0.783125 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=177) 0 6.658933 5.814892 0.308752 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=177) 0 5.041146 5.359404 0.737250 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=177) 0 6.498929 4.924013 2.265436 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=177) 0 7.522832 4.560921 2.332945 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=177) 0 6.480256 5.930992 2.687336 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=177) 0 5.639285 4.017172 3.153426 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=177) 0 4.722128 3.308368 2.681608 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=177) 0 5.849504 4.001717 4.388202 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=177) 0 5.530771 3.738228 -1.385261 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=177) 0 4.304706 3.875426 -1.414129 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=178) 0 6.244268 3.565991 -2.506407 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=178) 0 7.248963 3.476720 -2.410575 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=178) 0 5.691178 3.398272 -3.854816 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=178) 0 4.621406 3.612803 -3.834370 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=178) 0 6.351092 4.441381 -4.761344 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=178) 0 7.431820 4.302620 -4.774905 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=178) 0 5.970004 4.346567 -5.778408 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=178) 0 6.115509 5.433975 -4.383744 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=178) 0 5.840233 1.965861 -4.418388 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=178) 0 5.037094 1.560263 -5.268700 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=179) 0 6.799335 1.167720 -3.929077 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=179) 0 7.415373 1.542648 -3.215889 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=179) 0 6.992960 -0.246919 -4.303152 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=179) 0 6.126150 -0.580709 -4.869786 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=179) 0 8.215396 -0.443628 -5.240643 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=179) 0 9.118734 -0.161510 -4.701066 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=179) 0 8.339182 -1.913408 -5.693412 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=179) 0 7.554465 -2.150401 -6.408423 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=179) 0 9.303723 -2.077536 -6.165948 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=179) 0 8.273166 -2.602945 -4.857549 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=179) 0 8.106916 0.447762 -6.501791 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=179) 0 7.145165 0.275370 -6.985037 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=179) 0 8.146013 1.492460 -6.196493 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=179) 0 9.212157 0.223978 -7.545461 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=179) 0 9.140604 -0.771078 -7.982240 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=179) 0 9.097891 0.939666 -8.355151 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=179) 0 10.188571 0.358519 -7.082954 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=179) 0 7.012339 -1.123592 -3.039365 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=179) 0 8.036306 -1.650989 -2.620288 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=180) 0 5.830463 -1.338200 -2.461153 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=180) 0 5.022935 -0.854639 -2.835720 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=180) 0 5.596793 -2.338983 -1.407621 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=180) 0 6.309455 -2.173113 -0.596973 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=180) 0 4.177028 -2.091872 -0.880216 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=180) 0 4.138514 -1.066310 -0.516349 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=180) 0 3.466283 -2.172069 -1.702060 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=180) 0 3.732879 -3.029592 0.242645 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=180) 0 4.064725 -2.752757 1.417632 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=180) 0 2.961994 -3.974016 -0.040860 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=180) 0 5.796568 -3.785689 -1.916010 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=180) 0 5.896470 -4.727850 -1.130662 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=181) 0 5.881418 -3.968479 -3.236979 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=181) 0 5.762975 -3.147635 -3.819509 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=181) 0 6.155994 -5.223863 -3.943803 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=181) 0 5.705990 -6.019503 -3.368410 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=181) 0 5.412414 -5.266708 -5.294822 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=181) 0 5.751667 -6.134558 -5.861556 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=181) 0 4.354297 -5.428011 -5.083578 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=181) 0 5.508605 -4.011125 -6.169219 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=181) 0 5.145147 -2.903044 -5.701838 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=181) 0 5.817247 -4.147690 -7.375747 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=181) 0 7.647115 -5.619253 -3.974244 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=181) 0 8.022282 -6.619554 -4.592350 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=182) 0 8.489494 -4.895229 -3.234121 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=182) 0 8.108533 -4.091552 -2.743898 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=182) 0 9.871530 -5.245458 -2.882990 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=182) 0 10.052464 -6.291809 -3.116436 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=182) 0 10.853816 -4.382064 -3.715851 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=182) 0 10.600276 -3.334854 -3.561885 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=182) 0 12.305599 -4.592583 -3.264305 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=182) 0 12.566517 -5.643871 -3.361207 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=182) 0 12.979399 -3.998817 -3.872857 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=182) 0 12.435716 -4.264087 -2.234749 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=182) 0 10.735490 -4.692549 -5.226976 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=182) 0 10.992806 -5.738811 -5.389725 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=182) 0 9.703721 -4.550772 -5.543867 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=182) 0 11.605657 -3.815344 -6.142499 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=182) 0 12.652323 -4.105885 -6.071633 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=182) 0 11.283828 -3.942954 -7.176398 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=182) 0 11.504311 -2.766032 -5.865550 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=182) 0 10.042547 -5.028354 -1.361520 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=182) 0 9.486400 -4.063319 -0.836118 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=183) 0 10.818562 -5.849339 -0.623990 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=183) 0 11.296148 -7.175049 -0.944903 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=183) 0 12.307042 -7.101452 -1.339971 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=183) 0 10.643699 -7.691387 -1.642450 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=183) 0 11.322610 -7.906567 0.395692 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=183) 0 12.015260 -8.745571 0.394389 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=183) 0 10.317376 -8.234381 0.663417 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=183) 0 11.786607 -6.817626 1.355072 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=183) 0 12.877293 -6.791093 1.361490 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=183) 0 11.411117 -6.988987 2.363893 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=183) 0 11.205365 -5.533967 0.745400 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=183) 0 10.315693 -5.250026 1.308135 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=183) 0 12.216771 -4.387482 0.743043 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=183) 0 13.333289 -4.523733 0.230100 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=184) 0 11.826859 -3.264147 1.335688 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=184) 0 10.898900 -3.241617 1.740752 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=184) 0 12.712187 -2.134459 1.595582 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=184) 0 13.605183 -2.231516 0.985649 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=184) 0 12.042170 -0.812660 1.203029 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=184) 0 11.007705 -0.826181 1.540923 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=184) 0 12.544202 -0.004309 1.735923 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=184) 0 12.059846 -0.474828 -0.276509 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=184) 0 11.160501 -1.092762 -1.160175 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=184) 0 10.471838 -1.840925 -0.799946 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=184) 0 11.109787 -0.694161 -2.505439 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=184) 0 10.398768 -1.157127 -3.168951 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=184) 0 11.934026 0.340302 -2.971975 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=184) 0 11.835538 0.680687 -3.989747 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=184) 0 12.847019 0.953398 -2.099862 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=184) 0 13.472785 1.761869 -2.448422 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=184) 0 12.907332 0.540336 -0.757843 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=184) 0 13.567133 1.044552 -0.077803 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=184) 0 13.131004 -2.130899 3.068414 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=184) 0 12.306370 -2.349323 3.954512 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=185) 0 14.396600 -1.820521 3.339263 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=185) 0 15.032560 -1.724307 2.553523 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=185) 0 14.922524 -1.544993 4.676953 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=185) 0 14.114260 -1.576783 5.401927 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=185) 0 15.650349 -2.307250 4.945434 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=185) 0 15.607200 -0.181310 4.752615 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=185) 0 16.080640 0.325039 3.740077 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=186) 0 15.697042 0.420764 5.935753 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=186) 0 15.270698 -0.032764 6.740474 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=186) 0 16.462765 1.654583 6.174865 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=186) 0 17.131990 1.801317 5.329768 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=186) 0 15.536289 2.890456 6.241225 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=186) 0 14.896085 2.859673 5.364157 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=186) 0 14.612284 2.876699 7.470610 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=186) 0 15.184950 3.023632 8.386969 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=186) 0 13.871582 3.670906 7.389646 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=186) 0 14.078706 1.928506 7.530017 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=186) 0 16.358972 4.193418 6.143500 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=186) 0 16.948789 4.331565 7.050599 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=186) 0 17.043933 4.114003 5.298158 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=186) 0 15.494527 5.440458 5.926681 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=186) 0 14.892135 5.639899 6.811675 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=186) 0 16.139796 6.297636 5.734191 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=186) 0 14.833517 5.295038 5.074860 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=186) 0 17.342353 1.506553 7.414759 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=186) 0 16.924625 0.904079 8.400220 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=187) 0 18.559011 2.045526 7.383722 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=187) 0 18.884262 2.474033 6.521124 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=187) 0 19.477359 2.020277 8.526158 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=187) 0 18.888130 1.864007 9.427499 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=187) 0 20.456803 0.842519 8.420341 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=187) 0 19.882910 -0.066274 8.250485 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=187) 0 21.478785 0.963102 7.289905 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=187) 0 22.229740 1.714414 7.532784 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=187) 0 21.962647 0.002875 7.136364 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=187) 0 20.978930 1.233552 6.361689 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=187) 0 21.146513 0.705847 9.640976 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=187) 0 20.543372 0.219042 10.231501 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=187) 0 20.222263 3.337720 8.702662 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=187) 0 20.691170 3.932349 7.730346 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=188) 0 20.373406 3.758301 9.959367 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=188) 0 19.899344 3.241157 10.694107 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=188) 0 21.237076 4.870095 10.371641 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=188) 0 21.652474 5.325194 9.474898 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=188) 0 20.419023 5.964472 11.073034 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=188) 0 21.066906 6.815180 11.282713 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=188) 0 19.622266 6.298500 10.406948 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=188) 0 19.840503 5.518637 12.288334 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=188) 0 19.457707 6.325321 12.718381 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=188) 0 22.454511 4.417179 11.190657 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=188) 0 23.148724 5.253119 11.769181 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=189) 0 22.735392 3.106942 11.256126 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=189) 0 22.152665 2.460005 10.738293 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=189) 0 23.883279 2.558245 11.983119 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=189) 0 24.285117 3.331191 12.641473 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=189) 0 23.432923 1.398419 12.889289 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=189) 0 22.677436 1.757169 13.583782 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=189) 0 22.998733 0.603814 12.285125 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=189) 0 24.592012 0.842459 13.701296 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=189) 0 25.637026 1.460544 13.829622 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=189) 0 24.484834 -0.342657 14.244869 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=189) 0 25.332784 -0.706414 14.684849 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=189) 0 23.668680 -0.921216 14.083423 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=189) 0 25.015381 2.142780 11.028963 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=189) 0 24.830318 1.296598 10.150320 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=190) 0 26.219504 2.680001 11.239287 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=190) 0 26.357556 3.282120 12.039011 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=190) 0 27.371964 2.408339 10.378685 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=190) 0 27.017842 2.508470 9.356817 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=190) 0 28.453944 3.471108 10.548883 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=190) 0 29.246131 3.279891 9.824981 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=190) 0 28.033274 4.457556 10.347408 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=190) 0 28.996252 3.449293 11.851819 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=190) 0 29.949907 3.648366 11.746323 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=190) 0 27.946235 0.987822 10.495715 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=190) 0 28.680174 0.571143 9.599640 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=191) 0 27.551685 0.178583 11.487816 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=191) 0 27.013499 0.573139 12.251095 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=191) 0 27.788311 -1.278889 11.451051 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=191) 0 28.859925 -1.480428 11.457265 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=191) 0 27.137831 -1.967742 12.659861 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=191) 0 26.088381 -1.682509 12.705190 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=191) 0 27.159347 -3.045958 12.508022 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=191) 0 27.824707 -1.678657 13.990482 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=191) 0 29.013634 -2.043260 14.156960 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=191) 0 27.148107 -1.140671 14.895515 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=191) 0 27.181724 -1.911921 10.185387 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=191) 0 27.797398 -2.752039 9.523157 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=192) 0 25.969748 -1.482348 9.823359 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=192) 0 25.543340 -0.740400 10.367097 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=192) 0 25.203700 -2.036728 8.700207 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=192) 0 25.332185 -3.119573 8.703321 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=192) 0 23.698802 -1.737099 8.854046 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=192) 0 23.516801 -0.699807 8.582115 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=192) 0 22.864428 -2.658715 7.956209 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=192) 0 22.991132 -3.694675 8.267874 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=192) 0 21.810097 -2.391093 8.033783 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=192) 0 23.170268 -2.562609 6.917719 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=192) 0 23.210742 -1.953376 10.292340 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=192) 0 23.603837 -1.174476 10.942198 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=192) 0 22.122102 -1.907635 10.333726 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=192) 0 23.552122 -2.921356 10.649034 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=192) 0 25.752943 -1.514158 7.372303 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=192) 0 25.885097 -2.282964 6.424650 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=193) 0 26.181210 -0.245687 7.327802 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=193) 0 26.041764 0.322237 8.151874 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=193) 0 26.983196 0.303716 6.224196 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=193) 0 26.406912 0.299376 5.298233 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=193) 0 27.425234 1.739907 6.551827 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=193) 0 27.855897 1.760211 7.546541 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=193) 0 28.251720 1.966479 5.889973 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=193) 0 26.441461 2.892816 6.440078 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=193) 0 26.795458 4.008224 5.654063 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=193) 0 27.699243 3.994123 5.058930 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=193) 0 26.003798 5.167354 5.669947 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=193) 0 26.290891 6.029581 5.086148 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=193) 0 24.839067 5.211924 6.450089 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=193) 0 24.233794 6.105683 6.446792 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=193) 0 24.457884 4.093636 7.211189 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=193) 0 23.551309 4.125319 7.801163 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=193) 0 25.262188 2.939202 7.211344 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=193) 0 24.970539 2.098426 7.818197 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=193) 0 28.260270 -0.530219 5.997274 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=193) 0 28.566400 -0.921472 4.869047 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=194) 0 28.991703 -0.831184 7.078181 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=194) 0 28.680741 -0.468834 7.971538 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=194) 0 30.281924 -1.534764 7.031032 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=194) 0 30.959140 -0.987841 6.373051 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=194) 0 30.925999 -1.615775 8.418460 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=194) 0 30.312514 -2.250258 9.059235 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=194) 0 31.911360 -2.075521 8.321852 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=194) 0 31.074174 -0.343650 9.029907 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=194) 0 30.175070 -0.005551 9.237570 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=194) 0 30.149251 -2.958440 6.489027 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=194) 0 31.027970 -3.413206 5.757654 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=195) 0 29.037150 -3.656869 6.768407 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=195) 0 28.360918 -3.245069 7.403765 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=195) 0 28.759323 -4.992739 6.203895 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=195) 0 29.570362 -5.661810 6.496452 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=195) 0 27.447250 -5.535268 6.800950 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=195) 0 27.528319 -5.519415 7.889516 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=195) 0 26.612751 -4.897620 6.504813 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=195) 0 27.169984 -6.977010 6.342233 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=195) 0 26.908209 -6.976628 5.283809 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=195) 0 28.072513 -7.574783 6.480443 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=195) 0 26.029785 -7.628404 7.128164 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=195) 0 26.303633 -7.667746 8.184407 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=195) 0 25.116851 -7.041695 7.009662 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=195) 0 25.800791 -9.049224 6.601971 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=195) 0 25.400948 -8.994304 5.584903 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=195) 0 26.758012 -9.576147 6.562816 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=195) 0 24.868671 -9.788847 7.475336 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=195) 0 23.978369 -9.311105 7.565953 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=195) 0 24.690802 -10.739036 7.151866 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=195) 0 25.232908 -9.881390 8.422116 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=195) 0 28.739406 -4.997354 4.666970 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=195) 0 29.056697 -6.016083 4.054281 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=196) 0 28.443770 -3.854920 4.044511 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=196) 0 28.201579 -3.057249 4.618263 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=196) 0 28.379265 -3.685222 2.590334 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=196) 0 28.626923 -4.640299 2.127508 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=196) 0 26.927001 -3.377283 2.188013 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=196) 0 26.647893 -2.397288 2.578742 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=196) 0 26.851415 -3.339816 1.101035 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=196) 0 25.956459 -4.429832 2.703081 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=196) 0 26.005128 -5.740802 2.189044 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=196) 0 26.688625 -5.983758 1.387010 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=196) 0 25.200862 -6.751937 2.749916 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=196) 0 25.260662 -7.760717 2.370911 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=196) 0 24.338042 -6.456051 3.827571 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=196) 0 23.603342 -7.441088 4.409367 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=196) 0 23.765696 -8.303956 3.980741 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=196) 0 24.275701 -5.139256 4.329766 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=196) 0 23.623741 -4.919177 5.160773 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=196) 0 25.086696 -4.132095 3.769993 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=196) 0 25.069850 -3.134606 4.184890 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=196) 0 29.434824 -2.706649 2.040427 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=196) 0 29.293553 -2.229686 0.912379 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=197) 0 30.525024 -2.472019 2.785245 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=197) 0 30.579262 -2.918544 3.693597 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=197) 0 31.665056 -1.618329 2.403391 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=197) 0 32.338133 -1.608261 3.260876 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=197) 0 32.450497 -2.233754 1.221204 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=197) 0 31.810893 -2.273727 0.339681 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=197) 0 33.288951 -1.581918 0.975441 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=197) 0 33.010941 -3.638273 1.481681 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=197) 0 32.197986 -4.325756 1.706545 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=197) 0 33.506293 -3.985036 0.577651 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=197) 0 34.020188 -3.657740 2.619970 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=197) 0 33.837199 -4.309237 3.638220 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=197) 0 35.111604 -2.943843 2.512058 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=197) 0 35.771263 -2.953988 3.277203 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=197) 0 35.320120 -2.450193 1.650431 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=197) 0 31.317662 -0.133839 2.167870 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=197) 0 31.967101 0.536181 1.363499 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=198) 0 30.289974 0.401429 2.833632 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=198) 0 29.787741 -0.167402 3.505919 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=198) 0 29.837910 1.777726 2.609029 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=198) 0 30.120319 2.074461 1.599484 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=198) 0 28.301954 1.854043 2.668723 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=198) 0 27.986706 1.672425 3.692423 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=198) 0 28.000728 2.868465 2.403039 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=198) 0 27.550614 0.859781 1.763825 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=198) 0 27.770089 -0.157853 2.084287 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=198) 0 26.052487 1.087646 1.931384 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=198) 0 25.774463 2.075997 1.564034 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=198) 0 25.499459 0.326916 1.385990 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=198) 0 25.791292 1.009230 2.984473 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=198) 0 27.902013 0.994900 0.281116 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=198) 0 28.947038 0.731883 0.120820 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=198) 0 27.278942 0.324166 -0.309394 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=198) 0 27.732554 2.018853 -0.049481 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=198) 0 30.514266 2.766908 3.573995 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=198) 0 30.245690 2.772462 4.774382 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=199) 0 31.350752 3.659524 3.046123 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=199) 0 31.564499 3.583848 2.059487 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=199) 0 31.887372 4.818700 3.780201 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=199) 0 32.091494 4.521393 4.810323 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=199) 0 33.216468 5.254717 3.142933 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=199) 0 33.744952 5.894172 3.851674 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=199) 0 33.838311 4.377273 2.961262 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=199) 0 33.021092 6.023121 1.831637 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=199) 0 32.562474 5.411797 0.836421 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=199) 0 33.326906 7.237759 1.787376 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=199) 0 30.906625 6.007449 3.815117 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=199) 0 31.044117 6.916798 4.635524 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=200) 0 29.932607 6.008550 2.901519 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=200) 0 29.878468 5.189456 2.307161 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=200) 0 29.108527 7.152991 2.498362 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=200) 0 29.245539 7.981856 3.194295 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=200) 0 29.607496 7.570432 1.102551 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=200) 0 30.663225 7.832504 1.176587 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=200) 0 29.533920 6.700431 0.455390 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=200) 0 28.877401 8.743380 0.431285 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=200) 0 27.801484 8.632004 0.523100 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=200) 0 29.162723 9.668350 0.933267 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=200) 0 29.230877 8.844795 -1.063194 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=200) 0 28.805236 9.761617 -1.459483 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=200) 0 30.311494 8.925339 -1.167604 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=200) 0 28.743721 7.668104 -1.925887 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=200) 0 29.109823 7.817295 -2.946386 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=200) 0 29.185896 6.737245 -1.560202 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=200) 0 27.265045 7.561607 -1.944830 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=200) 0 26.853601 8.443616 -2.242030 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=200) 0 26.968227 6.828405 -2.584344 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=200) 0 26.890224 7.349975 -1.024057 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=200) 0 27.632476 6.760305 2.482845 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=200) 0 27.298053 5.624366 2.145105 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=201) 0 26.751857 7.704777 2.795102 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=201) 0 27.089461 8.606864 3.099522 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=201) 0 25.300680 7.522217 2.698957 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=201) 0 25.022090 6.672837 3.322063 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=201) 0 24.592843 8.765552 3.247911 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=201) 0 24.823840 9.617117 2.605702 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=201) 0 23.516023 8.604158 3.215790 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=201) 0 25.008473 9.094401 4.681795 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=201) 0 24.315124 8.687171 5.638813 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=201) 0 25.993788 9.846718 4.862217 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=201) 0 24.833287 7.216558 1.259833 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=201) 0 25.450116 7.638792 0.270942 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=202) 0 23.730184 6.482378 1.121065 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=202) 0 23.227378 6.194444 1.959683 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=202) 0 23.203956 6.056976 -0.176535 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=202) 0 22.711755 6.897284 -0.662525 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=202) 0 24.030447 5.727482 -0.807106 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=202) 0 22.188424 4.925540 -0.079474 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=202) 0 21.551342 4.723158 0.948054 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=203) 0 22.019646 4.179595 -1.169189 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=203) 0 22.613135 4.347292 -1.968527 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=203) 0 21.066300 3.064058 -1.267107 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=203) 0 20.807310 2.723957 -0.265411 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=203) 0 19.763688 3.503402 -1.975050 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=203) 0 19.986104 3.787416 -2.999742 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=203) 0 18.718672 2.386281 -2.010046 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=203) 0 18.493930 2.058723 -0.995954 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=203) 0 17.805007 2.745847 -2.477236 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=203) 0 19.081023 1.544651 -2.597368 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=203) 0 19.125127 4.715839 -1.287419 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=203) 0 19.763672 5.587484 -1.416415 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=203) 0 18.160606 4.945167 -1.730277 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=203) 0 18.988075 4.512824 -0.226867 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=203) 0 21.734159 1.896057 -1.986343 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=203) 0 22.539601 2.106749 -2.892295 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=204) 0 21.399259 0.666655 -1.600945 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=204) 0 20.748741 0.564242 -0.825956 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=204) 0 21.867910 -0.556978 -2.257657 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=204) 0 22.357883 -0.286886 -3.190015 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=204) 0 22.904299 -1.300200 -1.397815 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=204) 0 22.428765 -1.649695 -0.485806 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=204) 0 23.459633 -2.518749 -2.128277 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=204) 0 23.946635 -2.207979 -3.052344 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=204) 0 24.179284 -3.021491 -1.483052 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=204) 0 22.659351 -3.223505 -2.353124 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=204) 0 24.099343 -0.411391 -1.028917 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=204) 0 23.774600 0.415563 -0.398642 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=204) 0 24.837943 -0.992579 -0.477902 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=204) 0 24.561197 -0.008844 -1.930843 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=204) 0 20.678031 -1.452667 -2.590359 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=204) 0 19.869978 -1.776923 -1.720747 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=205) 0 20.581121 -1.862741 -3.853610 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=205) 0 21.327937 -1.590481 -4.485388 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=205) 0 19.622193 -2.848321 -4.346126 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=205) 0 18.778948 -2.904380 -3.656424 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=205) 0 19.071414 -2.374856 -5.701762 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=205) 0 18.510303 -1.466703 -5.489856 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=205) 0 19.895251 -2.101489 -6.359569 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=205) 0 18.134229 -3.344634 -6.450781 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=205) 0 17.484662 -3.857134 -5.741902 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=205) 0 17.264393 -2.519782 -7.400385 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=205) 0 17.888997 -1.963127 -8.098413 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=205) 0 16.589700 -3.169747 -7.949782 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=205) 0 16.670561 -1.814750 -6.821675 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=205) 0 18.881553 -4.377980 -7.303720 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=205) 0 19.417670 -5.081581 -6.673203 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=205) 0 18.174095 -4.952757 -7.896685 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=205) 0 19.581099 -3.880297 -7.973040 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=205) 0 20.288808 -4.221219 -4.373972 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=205) 0 21.355502 -4.399923 -4.961685 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=206) 0 19.636796 -5.194061 -3.757370 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=206) 0 18.714201 -4.986454 -3.390059 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=206) 0 20.061861 -6.581984 -3.679271 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=206) 0 21.068964 -6.677342 -4.080962 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=206) 0 20.090081 -7.035045 -2.216868 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=206) 0 19.080907 -6.964670 -1.808334 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=206) 0 20.378098 -8.086548 -2.195650 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=206) 0 21.035768 -6.260402 -1.317335 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=206) 0 20.616635 -5.058339 -0.713953 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=206) 0 19.629604 -4.665590 -0.913590 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=206) 0 21.475253 -4.370057 0.160146 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=206) 0 21.147898 -3.449984 0.619466 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=206) 0 22.754949 -4.880541 0.437977 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=206) 0 23.410815 -4.358604 1.121403 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=206) 0 23.179249 -6.074694 -0.170240 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=206) 0 24.159830 -6.471453 0.048629 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=206) 0 22.323409 -6.762357 -1.049062 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=206) 0 22.649787 -7.687724 -1.502620 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=206) 0 19.127619 -7.464544 -4.507289 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=206) 0 17.950521 -7.152398 -4.692257 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=207) 0 19.657865 -8.576025 -5.008156 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=207) 0 20.645935 -8.745431 -4.849958 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=207) 0 18.895422 -9.620597 -5.697867 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=207) 0 17.962437 -9.774881 -5.153774 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=207) 0 18.562943 -9.178571 -7.135817 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=207) 0 18.069596 -10.000612 -7.655605 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=207) 0 17.862839 -8.343303 -7.099599 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=207) 0 19.802606 -8.742252 -7.926733 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=207) 0 20.190580 -7.806980 -7.519724 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=207) 0 20.567753 -9.508795 -7.844011 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=207) 0 19.464789 -8.545131 -9.401415 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=207) 0 19.145200 -9.497412 -9.816957 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=207) 0 18.669651 -7.807321 -9.502684 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=207) 0 20.713253 -8.069085 -10.134258 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=207) 0 21.059244 -7.136735 -9.681669 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=207) 0 21.511120 -8.806683 -10.007591 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=207) 0 20.460175 -7.846467 -11.569372 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=207) 0 19.735749 -7.151644 -11.712789 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=207) 0 21.303670 -7.481396 -12.001100 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=207) 0 20.279764 -8.713596 -12.076014 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=207) 0 19.641009 -10.951746 -5.669923 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=207) 0 20.834979 -10.989363 -5.370651 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=208) 0 18.961623 -12.046045 -6.005257 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=208) 0 17.969567 -11.922931 -6.194815 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=208) 0 19.512883 -13.415781 -5.934201 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=208) 0 20.358470 -13.400630 -5.243436 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=208) 0 18.469504 -14.357785 -5.311734 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=208) 0 17.591497 -14.422841 -5.957403 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=208) 0 18.903705 -15.352126 -5.214448 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=208) 0 18.055885 -13.852408 -3.918345 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=208) 0 18.945790 -13.617433 -3.332786 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=208) 0 17.467325 -12.941594 -4.025491 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=208) 0 17.231050 -14.889476 -3.158896 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=208) 0 16.406770 -15.231850 -3.786953 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=208) 0 17.865930 -15.738029 -2.900538 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=208) 0 16.672896 -14.253214 -1.887449 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=208) 0 17.494684 -13.848113 -1.291135 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=208) 0 16.020393 -13.428244 -2.175753 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=208) 0 15.910566 -15.240558 -1.100783 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=208) 0 16.543690 -15.881390 -0.628844 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=208) 0 15.349752 -14.785867 -0.389557 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=208) 0 15.274789 -15.765686 -1.701434 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=208) 0 20.126621 -13.922989 -7.251146 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=208) 0 20.271831 -15.129654 -7.450931 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=209) 0 20.471662 -13.005671 -8.153869 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=209) 0 20.384986 -12.035992 -7.896295 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=209) 0 21.002065 -13.277199 -9.492074 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=209) 0 21.635451 -14.163794 -9.441441 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=209) 0 19.834857 -13.578849 -10.454085 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=209) 0 20.233686 -13.733889 -11.457008 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=209) 0 19.383691 -14.525038 -10.153064 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=209) 0 18.726754 -12.538106 -10.516963 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=209) 0 18.684046 -11.606199 -11.571430 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=209) 0 19.445050 -11.620759 -12.339088 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=209) 0 17.634870 -10.671503 -11.647287 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=209) 0 17.598839 -9.975871 -12.472487 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=209) 0 16.629898 -10.657010 -10.661745 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=209) 0 15.811939 -9.952910 -10.721577 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=209) 0 16.664661 -11.589547 -9.611983 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=209) 0 15.877821 -11.598253 -8.869242 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=209) 0 17.702308 -12.535398 -9.548238 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=209) 0 17.696736 -13.277252 -8.763118 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=209) 0 21.890649 -12.121935 -9.992111 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=209) 0 21.885349 -11.030036 -9.423480 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=210) 0 22.654885 -12.368237 -11.058904 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=210) 0 22.586448 -13.288451 -11.470979 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=210) 0 23.709526 -11.493711 -11.603676 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=210) 0 24.231073 -12.055301 -12.378390 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=210) 0 23.101685 -10.263822 -12.308000 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=210) 0 22.710067 -9.581296 -11.555671 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=210) 0 23.891426 -9.742887 -12.850865 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=210) 0 21.990264 -10.614525 -13.301739 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=210) 0 21.009020 -9.833562 -13.371162 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=210) 0 22.110861 -11.656499 -13.993907 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=210) 0 24.780929 -11.175562 -10.541977 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=210) 0 25.125721 -12.053293 -9.744119 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=211) 0 25.326137 -9.956595 -10.493105 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=211) 0 25.055414 -9.277717 -11.194514 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=211) 0 26.255351 -9.526163 -9.429481 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=211) 0 27.105650 -10.209620 -9.426814 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=211) 0 26.809765 -8.122382 -9.743227 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=211) 0 27.684212 -7.961537 -9.111569 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=211) 0 27.149791 -8.097692 -10.778199 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=211) 0 25.844503 -6.949186 -9.502470 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=211) 0 25.586962 -6.923287 -8.445181 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=211) 0 26.360474 -6.017357 -9.741091 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=211) 0 24.566205 -7.038988 -10.335778 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=211) 0 24.648706 -6.925509 -11.581873 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=211) 0 23.482077 -7.270393 -9.754694 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=211) 0 25.629653 -9.583024 -8.018211 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=211) 0 26.337302 -9.708504 -7.015557 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=212) 0 24.296963 -9.517721 -7.932303 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=212) 0 23.785028 -9.376842 -8.797113 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=212) 0 23.508114 -9.685843 -6.711259 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=212) 0 22.508042 -10.003723 -6.991510 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=212) 0 23.951202 -10.477326 -6.108029 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=212) 0 23.394584 -8.439539 -5.830465 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=212) 0 22.598858 -8.433647 -4.886282 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=213) 0 24.167844 -7.383245 -6.106221 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=213) 0 24.786985 -7.451038 -6.905669 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=213) 0 24.239229 -6.167805 -5.285142 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=213) 0 23.253607 -5.975635 -4.862272 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=213) 0 25.220121 -6.428347 -4.131260 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=213) 0 24.914762 -7.341292 -3.617321 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=213) 0 26.221830 -6.579338 -4.534172 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=213) 0 25.224653 -5.298235 -3.098498 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=213) 0 24.256225 -4.806751 -3.131424 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=213) 0 25.335591 -5.726332 -2.101473 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=213) 0 26.340422 -4.266896 -3.321117 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=213) 0 26.560904 -4.159588 -4.384366 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=213) 0 25.981396 -3.308085 -2.955187 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=213) 0 27.560224 -4.656861 -2.592357 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=213) 0 27.847911 -5.629207 -2.680625 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=213) 0 28.235686 -3.915467 -1.736161 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=213) 0 28.024060 -2.637290 -1.582852 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=213) 0 27.370130 -2.153243 -2.193688 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=213) 0 28.479919 -2.153977 -0.817690 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=213) 0 29.147311 -4.444469 -0.974769 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=213) 0 29.325253 -5.447674 -0.983808 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=213) 0 29.644778 -3.840126 -0.342601 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=213) 0 24.650955 -4.951912 -6.116758 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=213) 0 25.669900 -4.976641 -6.792596 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=214) 0 23.864888 -3.882930 -6.039603 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=214) 0 23.054753 -3.943352 -5.434008 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=214) 0 23.941047 -2.713041 -6.913045 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=214) 0 24.873141 -2.726752 -7.483878 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=214) 0 22.748013 -2.760313 -7.888626 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=214) 0 21.818755 -2.820664 -7.327116 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=214) 0 22.725042 -1.842513 -8.476413 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=214) 0 22.824031 -3.933302 -8.843989 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=214) 0 23.317392 -3.809232 -9.952599 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=214) 0 22.354746 -5.093165 -8.452071 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=214) 0 22.636206 -5.902728 -9.013479 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=214) 0 21.982386 -5.196989 -7.526487 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=214) 0 23.906617 -1.436367 -6.067076 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=214) 0 22.945068 -1.220242 -5.330850 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=215) 0 24.930387 -0.590894 -6.163528 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=215) 0 25.668312 -0.787235 -6.834466 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=215) 0 25.052893 0.633003 -5.369172 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=215) 0 24.524177 0.517673 -4.420181 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=215) 0 26.538595 0.864090 -5.072808 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=215) 0 27.063491 0.886785 -6.025755 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=215) 0 26.656766 1.838286 -4.604578 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=215) 0 27.222914 -0.162525 -4.181450 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=215) 0 26.631535 -0.976128 -3.483378 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=215) 0 28.534198 -0.146305 -4.176449 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=215) 0 29.022604 -0.804220 -3.601273 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=215) 0 29.014750 0.521459 -4.762224 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=215) 0 24.449068 1.835622 -6.121112 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=215) 0 24.734905 2.038837 -7.303696 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=216) 0 23.634505 2.650019 -5.449125 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=216) 0 23.434874 2.434995 -4.477382 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=216) 0 22.873304 3.743439 -6.064339 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=216) 0 22.354983 3.341559 -6.935182 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=216) 0 21.809606 4.228790 -5.077885 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=216) 0 21.153256 3.388776 -4.851341 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=216) 0 22.294588 4.547102 -4.154184 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=216) 0 20.971925 5.370980 -5.607144 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=216) 0 19.834457 5.099056 -6.381834 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=216) 0 19.542534 4.077816 -6.544118 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=216) 0 19.082596 6.146233 -6.938935 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=216) 0 18.208617 5.930624 -7.532892 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=216) 0 19.474379 7.474722 -6.719355 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=216) 0 18.909731 8.292032 -7.139882 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=216) 0 20.611524 7.747446 -5.945877 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=216) 0 20.911686 8.768268 -5.784492 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=216) 0 21.360642 6.702665 -5.384835 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=216) 0 22.242834 6.927947 -4.802106 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=216) 0 23.739663 4.913628 -6.553471 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=216) 0 24.648622 5.371146 -5.856868 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=217) 0 23.402571 5.445292 -7.728570 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=217) 0 22.586414 5.077834 -8.201351 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=217) 0 24.192676 6.431266 -8.472995 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=217) 0 25.165440 6.557267 -7.997823 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=217) 0 24.428042 5.899143 -9.894292 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=217) 0 23.460421 5.691545 -10.346364 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=217) 0 24.918755 6.667482 -10.491334 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=217) 0 25.278541 4.622803 -9.935940 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=217) 0 26.331347 4.900393 -9.874547 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=217) 0 25.049468 3.990335 -9.079386 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=217) 0 25.019818 3.818687 -11.211727 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=217) 0 25.164893 4.389524 -12.316519 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=217) 0 24.684857 2.613966 -11.100684 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=217) 0 23.505680 7.805607 -8.538279 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=217) 0 22.341250 7.914760 -8.945829 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=218) 0 24.247250 8.858620 -8.193319 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=218) 0 25.167030 8.693151 -7.802896 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=218) 0 23.785948 10.245315 -8.267518 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=218) 0 24.645603 10.915027 -8.265789 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=218) 0 23.254031 10.384323 -9.206854 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=218) 0 22.864525 10.657392 -7.119937 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=218) 0 22.921941 10.099673 -6.024528 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=219) 0 22.018875 11.656338 -7.356957 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=219) 0 21.980099 12.044947 -8.293575 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=219) 0 21.146604 12.241404 -6.337070 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=219) 0 21.746448 12.405483 -5.442088 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=219) 0 20.660328 13.608720 -6.814895 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=219) 0 21.542803 14.209961 -7.027934 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=219) 0 20.083105 13.486685 -7.732328 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=219) 0 19.798953 14.341599 -5.779009 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=219) 0 18.770375 13.983944 -5.841608 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=219) 0 20.173524 14.113415 -4.778755 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=219) 0 19.839882 15.858725 -5.986758 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=219) 0 19.907028 16.329937 -7.149815 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=219) 0 19.882453 16.584996 -4.962979 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=219) 0 19.973345 11.328117 -5.966430 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=219) 0 19.211420 10.873534 -6.826491 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=220) 0 19.807736 11.075133 -4.666640 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=220) 0 20.456414 11.501409 -4.009263 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=220) 0 18.752842 10.196960 -4.147735 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=220) 0 18.691284 9.310985 -4.777062 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=220) 0 19.058154 9.729616 -2.713821 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=220) 0 19.018286 10.594233 -2.060630 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=220) 0 18.022651 8.701994 -2.246640 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=220) 0 18.092407 7.808975 -2.866614 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=220) 0 18.208459 8.437450 -1.208440 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=220) 0 17.015049 9.113026 -2.303134 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=220) 0 20.438627 9.079641 -2.562682 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=220) 0 21.219900 9.778982 -2.856143 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=220) 0 20.608496 8.808915 -1.521502 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=220) 0 20.504567 8.185340 -3.178373 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=220) 0 17.407648 10.917980 -4.202060 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=220) 0 17.118713 11.768471 -3.360115 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=221) 0 16.562873 10.549527 -5.162308 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=221) 0 16.877490 9.879608 -5.847692 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=221) 0 15.160791 10.987479 -5.241929 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=221) 0 14.902057 11.455065 -4.300850 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=221) 0 14.897817 12.044211 -6.331862 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=221) 0 14.035676 12.615675 -6.000051 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=221) 0 16.041683 13.028398 -6.564521 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=221) 0 16.912579 12.510755 -6.962285 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=221) 0 15.728063 13.788896 -7.279518 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=221) 0 16.306421 13.510435 -5.623913 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=221) 0 14.554014 11.470885 -7.571721 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=221) 0 13.682158 11.863830 -7.791412 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=221) 0 14.237926 9.786557 -5.419320 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=221) 0 14.692312 8.739781 -5.884823 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=222) 0 12.942839 9.918408 -5.099159 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=222) 0 12.634428 10.784315 -4.664515 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=222) 0 11.934835 8.887347 -5.398520 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=222) 0 12.159430 7.997078 -4.814954 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=222) 0 10.533622 9.395034 -5.008661 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=222) 0 10.511313 9.558867 -3.931014 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=222) 0 10.344473 10.349571 -5.504681 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=222) 0 9.421525 8.400673 -5.398570 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=222) 0 9.421333 8.267733 -6.480272 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=222) 0 9.612211 7.437695 -4.927926 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=222) 0 8.032850 8.899839 -4.989803 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=222) 0 7.958270 8.931805 -3.905567 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=222) 0 7.908462 9.905051 -5.384238 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=222) 0 6.934792 7.987560 -5.552057 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=222) 0 6.959852 8.043484 -6.644110 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=222) 0 7.155985 6.958796 -5.259974 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=222) 0 5.585780 8.367607 -5.062573 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=222) 0 5.384363 9.344516 -5.269393 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=222) 0 4.862772 7.782513 -5.483868 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=222) 0 5.506543 8.230961 -4.058238 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=222) 0 11.994070 8.481119 -6.870747 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=222) 0 12.054242 7.297062 -7.178359 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=223) 0 12.034119 9.458213 -7.770534 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=223) 0 12.054985 10.415275 -7.433090 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=223) 0 12.059804 9.238598 -9.217018 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=223) 0 11.198490 8.629374 -9.496505 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=223) 0 11.957407 10.580698 -9.962027 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=223) 0 12.869983 11.162236 -9.828264 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=223) 0 11.873081 10.352695 -11.022321 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=223) 0 10.734531 11.428780 -9.568102 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=223) 0 10.504805 12.086346 -10.405515 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=223) 0 9.874482 10.769128 -9.433511 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=223) 0 10.912879 12.300709 -8.311197 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=223) 0 11.994290 12.297244 -7.674302 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=223) 0 9.932010 12.989862 -7.929631 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=223) 0 13.318394 8.473368 -9.649138 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=223) 0 13.210847 7.431285 -10.299328 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=224) 0 14.497987 8.929097 -9.211844 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=224) 0 14.509921 9.779929 -8.657757 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=224) 0 15.776829 8.284378 -9.511580 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=224) 0 15.861046 8.151085 -10.592106 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=224) 0 16.923647 9.189334 -9.025770 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=224) 0 16.758355 9.465578 -7.984936 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=224) 0 17.856277 8.631718 -9.092380 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=224) 0 17.126608 10.448196 -9.846576 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=224) 0 16.686702 10.567711 -10.983918 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=224) 0 17.881374 11.388268 -9.328954 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=224) 0 18.043660 12.234021 -9.853897 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=224) 0 18.311904 11.247053 -8.418252 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=224) 0 15.895310 6.885833 -8.885189 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=224) 0 16.545824 6.018323 -9.461524 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=225) 0 15.276141 6.639328 -7.726308 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=225) 0 14.795413 7.407878 -7.268215 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=225) 0 15.246252 5.323507 -7.079718 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=225) 0 16.241484 4.892823 -7.117682 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=225) 0 14.825837 5.478219 -5.613596 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=225) 0 13.983454 6.168381 -5.562003 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=225) 0 14.486466 4.512837 -5.234481 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=225) 0 15.967019 5.977669 -4.716350 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=225) 0 16.474531 6.827197 -5.172936 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=225) 0 15.377912 6.400097 -3.377055 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=225) 0 14.790927 5.578913 -2.972604 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=225) 0 16.168816 6.654465 -2.677008 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=225) 0 14.734452 7.269441 -3.517338 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=225) 0 16.981351 4.866048 -4.440586 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=225) 0 17.338157 4.429146 -5.368346 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=225) 0 17.838674 5.287951 -3.919961 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=225) 0 16.521694 4.081437 -3.842147 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=225) 0 14.327642 4.339827 -7.802315 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=225) 0 14.707192 3.185006 -7.992233 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=226) 0 13.158843 4.797467 -8.253201 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=226) 0 12.895355 5.754671 -8.037209 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=226) 0 12.278968 4.010042 -9.112872 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=226) 0 12.056351 3.063280 -8.621294 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=226) 0 10.962897 4.781033 -9.332185 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=226) 0 11.215171 5.777546 -9.685296 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=226) 0 10.384435 4.283720 -10.112062 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=226) 0 10.071566 4.932913 -8.082009 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=226) 0 10.656034 5.300079 -7.243643 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=226) 0 8.940627 5.923873 -8.359450 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=226) 0 8.320666 5.559396 -9.180586 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=226) 0 8.323804 6.036759 -7.470225 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=226) 0 9.361215 6.891705 -8.630938 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=226) 0 9.440700 3.617658 -7.647945 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=226) 0 10.218330 2.907036 -7.377360 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=226) 0 8.809129 3.783529 -6.776653 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=226) 0 8.830984 3.217307 -8.458582 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=226) 0 12.993040 3.663281 -10.431700 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=226) 0 12.955042 2.510049 -10.849848 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=227) 0 13.716988 4.600860 -11.053768 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=227) 0 13.708549 5.546209 -10.680963 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=227) 0 14.545679 4.314526 -12.237934 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=227) 0 13.924391 3.838209 -12.995767 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=227) 0 15.100655 5.617401 -12.831235 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=227) 0 15.595587 6.195027 -12.049501 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=227) 0 15.845618 5.365822 -13.586341 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=227) 0 14.021706 6.463992 -13.502980 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=227) 0 13.252282 5.922024 -14.333347 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=227) 0 13.935890 7.680203 -13.221117 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=227) 0 15.690056 3.330960 -11.933319 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=227) 0 15.868974 2.343251 -12.640279 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=228) 0 16.431699 3.527172 -10.844233 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=228) 0 16.275836 4.374393 -10.307054 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=228) 0 17.478263 2.604678 -10.386727 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=228) 0 18.269151 2.566660 -11.136077 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=228) 0 18.057332 3.184417 -9.094137 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=228) 0 18.703325 4.022267 -9.355771 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=228) 0 17.238982 3.593117 -8.509073 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=228) 0 18.824080 2.243976 -8.188803 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=228) 0 20.149253 1.880388 -8.491769 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=228) 0 20.602315 2.191504 -9.422773 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=228) 0 20.900855 1.138809 -7.563801 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=228) 0 21.919892 0.860618 -7.792926 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=228) 0 20.342760 0.794628 -6.321529 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=228) 0 20.938146 0.266812 -5.593614 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=228) 0 19.013511 1.138953 -6.024774 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=228) 0 18.584146 0.870753 -5.069874 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=228) 0 18.246699 1.843106 -6.967202 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=228) 0 17.229021 2.122569 -6.729509 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=228) 0 16.963633 1.167630 -10.199158 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=228) 0 17.671860 0.221568 -10.544058 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=229) 0 15.720520 0.996446 -9.740366 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=229) 0 15.215518 1.825690 -9.440543 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=229) 0 15.024805 -0.296586 -9.676394 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=229) 0 15.686234 -1.021294 -9.202480 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=229) 0 13.768808 -0.140646 -8.781947 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=229) 0 13.249523 0.767977 -9.080537 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=229) 0 12.758392 -1.296996 -8.886284 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=229) 0 13.154504 -2.181769 -8.397083 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=229) 0 11.832162 -1.022001 -8.382659 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=229) 0 12.521452 -1.527494 -9.923807 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=229) 0 14.222892 0.013548 -7.311002 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=229) 0 14.561212 -0.949857 -6.930876 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=229) 0 15.064836 0.701766 -7.249892 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=229) 0 13.136130 0.547349 -6.378209 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=229) 0 12.358359 -0.202584 -6.237448 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=229) 0 13.590189 0.774074 -5.414021 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=229) 0 12.702383 1.460278 -6.787257 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=229) 0 14.743953 -0.827129 -11.094554 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=229) 0 15.164032 -1.945100 -11.416051 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=230) 0 14.124407 -0.025647 -11.975177 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=230) 0 13.851875 0.902930 -11.660694 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=230) 0 13.866285 -0.384574 -13.389592 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=230) 0 13.160565 -1.216040 -13.433654 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=230) 0 13.261888 0.814674 -14.145167 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=230) 0 13.945951 1.657090 -14.064022 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=230) 0 13.188177 0.562066 -15.204043 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=230) 0 11.865475 1.240758 -13.659880 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=230) 0 11.143047 0.493181 -13.966265 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=230) 0 11.840202 1.281059 -12.576664 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=230) 0 11.453280 2.598688 -14.251621 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=230) 0 12.335989 3.107573 -14.634682 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=230) 0 10.765814 2.428850 -15.080355 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=230) 0 10.784934 3.515157 -13.222685 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=230) 0 9.781591 3.139752 -12.996755 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=230) 0 11.373694 3.493349 -12.305162 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=230) 0 10.715748 4.906498 -13.726553 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=230) 0 10.095428 4.973671 -14.529737 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=230) 0 10.407842 5.555689 -13.005817 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=230) 0 11.634594 5.242665 -14.015911 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=230) 0 15.132785 -0.837774 -14.130367 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=230) 0 15.048139 -1.719161 -14.983145 L N-N--0.415700(PDBName=N,ResName=HID,ResNum=231) 0 16.296487 -0.282125 -13.790396 L H-H-0.271900(PDBName=H,ResName=HID,ResNum=231) 0 16.249494 0.510012 -13.158613 L C-CT-0.018800(PDBName=CA,ResName=HID,ResNum=231) 0 17.572650 -0.539290 -14.468111 L H-H1-0.088100(PDBName=HA,ResName=HID,ResNum=231) 0 17.357182 -1.002374 -15.432000 L C-CT--0.046200(PDBName=CB,ResName=HID,ResNum=231) 0 18.248549 0.811005 -14.780526 L H-HC-0.040200(PDBName=HB2,ResName=HID,ResNum=231) 0 18.500759 1.309218 -13.843186 L H-HC-0.040200(PDBName=HB3,ResName=HID,ResNum=231) 0 19.174351 0.629373 -15.327299 L C-CC--0.026600(PDBName=CG,ResName=HID,ResNum=231) 0 17.394285 1.735235 -15.621417 L N-NA--0.381100(PDBName=ND1,ResName=HID,ResNum=231) 0 16.880520 1.458847 -16.866668 L H-H-0.364900(PDBName=HD1,ResName=HID,ResNum=231) 0 17.096645 0.643903 -17.437174 L C-CR-0.205700(PDBName=CE1,ResName=HID,ResNum=231) 0 16.137620 2.504471 -17.259941 L H-H5-0.139200(PDBName=HE1,ResName=HID,ResNum=231) 0 15.617418 2.568706 -18.207718 L N-NB--0.572700(PDBName=NE2,ResName=HID,ResNum=231) 0 16.151081 3.472714 -16.324846 L C-CV-0.129200(PDBName=CD2,ResName=HID,ResNum=231) 0 16.968646 2.994256 -15.291753 L H-H4-0.114700(PDBName=HD2,ResName=HID,ResNum=231) 0 17.214931 3.522694 -14.382573 L C-C-0.597300(PDBName=C,ResName=HID,ResNum=231) 0 18.514047 -1.533311 -13.745131 L O-O--0.567900(PDBName=O,ResName=HID,ResNum=231) 0 19.644997 -1.715245 -14.206220 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=232) 0 18.108969 -2.179652 -12.633857 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=232) 0 17.186239 -1.972563 -12.272672 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=232) 0 18.982054 -3.126599 -11.900592 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=232) 0 19.734140 -3.504568 -12.597031 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=232) 0 19.741720 -2.375952 -10.785485 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=232) 0 19.035779 -1.883521 -10.121827 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=232) 0 20.300782 -3.101651 -10.196827 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=232) 0 20.750999 -1.361746 -11.306021 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=232) 0 21.859393 -1.702280 -11.690590 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=232) 0 20.418060 -0.097103 -11.350403 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=232) 0 21.127697 0.552846 -11.672665 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=232) 0 19.491541 0.177797 -11.045354 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=232) 0 18.317028 -4.411175 -11.338628 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=232) 0 19.004211 -5.432872 -11.256569 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=233) 0 17.027319 -4.424439 -10.963174 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=233) 0 16.479164 -3.582827 -11.088577 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=233) 0 16.317696 -5.684253 -10.619059 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=233) 0 17.059679 -6.408924 -10.288656 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=233) 0 15.395575 -5.516744 -9.401198 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=233) 0 14.892527 -6.461576 -9.223483 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=233) 0 16.039367 -5.344807 -8.541985 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=233) 0 14.341502 -4.405499 -9.396899 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=233) 0 13.957435 -4.310160 -8.383643 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=233) 0 14.813720 -3.460946 -9.628350 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=233) 0 13.148352 -4.660750 -10.309487 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=233) 0 12.196727 -5.327592 -9.920701 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=233) 0 13.164617 -4.141080 -11.517065 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=233) 0 13.932944 -3.555919 -11.816776 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=233) 0 12.385477 -4.300918 -12.144940 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=233) 0 15.681042 -6.349336 -11.853842 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=233) 0 16.059870 -5.991816 -12.959997 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=234) 0 14.807340 -7.355264 -11.715242 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=234) 0 14.537779 -7.664263 -10.792166 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=234) 0 14.081948 -7.966353 -12.843740 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=234) 0 13.809880 -7.170585 -13.536552 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=234) 0 15.009911 -8.975689 -13.561982 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=234) 0 16.008946 -8.553228 -13.666298 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=234) 0 15.087327 -9.860995 -12.931594 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=234) 0 14.535724 -9.423755 -14.957571 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=234) 0 13.474621 -9.633615 -14.935429 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=234) 0 14.785494 -8.363051 -16.028736 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=234) 0 15.853329 -8.216198 -16.171799 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=234) 0 14.343605 -8.690388 -16.969907 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=234) 0 14.325720 -7.417866 -15.743204 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=234) 0 15.275814 -10.694320 -15.376562 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=234) 0 15.042236 -11.494408 -14.672436 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=234) 0 14.937182 -11.004784 -16.365060 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=234) 0 16.351468 -10.525024 -15.391400 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=234) 0 12.806808 -8.691403 -12.347429 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=234) 0 12.888111 -9.363330 -11.315583 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=235) 0 11.661589 -8.602103 -13.053747 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=235) 0 11.374552 -7.655137 -14.126289 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=235) 0 12.128425 -7.690139 -14.911424 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=235) 0 11.310826 -6.648346 -13.710740 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=235) 0 10.017175 -8.061288 -14.700433 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=235) 0 10.161147 -8.773458 -15.514726 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=235) 0 9.445532 -7.199262 -15.043062 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=235) 0 9.342644 -8.757539 -13.520365 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=235) 0 8.548279 -9.431120 -13.845257 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=235) 0 8.948365 -8.015883 -12.831812 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=235) 0 10.507843 -9.485309 -12.848899 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=235) 0 10.299400 -9.603846 -11.785342 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=235) 0 10.711346 -10.877207 -13.474236 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=235) 0 11.655088 -11.097894 -14.229139 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=236) 0 9.793618 -11.806964 -13.196418 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=236) 0 9.000411 -11.544882 -12.630692 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=236) 0 9.713099 -13.123366 -13.841813 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=236) 0 10.437016 -13.180161 -14.655489 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=236) 0 10.015138 -14.252327 -12.833121 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=236) 0 9.344592 -14.151784 -11.978578 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=236) 0 9.756645 -15.194485 -13.319252 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=236) 0 11.457973 -14.417030 -12.312614 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=236) 0 11.483769 -15.380803 -11.808756 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=236) 0 12.501559 -14.475881 -13.428648 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=236) 0 12.594955 -13.505459 -13.914181 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=236) 0 13.467342 -14.753762 -13.006882 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=236) 0 12.208255 -15.223952 -14.164832 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=236) 0 11.882312 -13.366127 -11.281297 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=236) 0 11.127499 -13.294616 -10.499233 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=236) 0 12.829953 -13.660279 -10.832568 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=236) 0 12.023006 -12.397484 -11.753003 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=236) 0 8.324348 -13.316323 -14.476002 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=236) 0 7.342496 -12.750369 -13.989081 L N-N--0.382100(PDBName=N,ResName=VAL,ResNum=237) 0 8.261228 -14.111608 -15.549765 L H-H-0.268100(PDBName=H,ResName=VAL,ResNum=237) 0 9.104961 -14.572198 -15.869081 L C-CT--0.343800(PDBName=CA,ResName=VAL,ResNum=237) 0 7.056432 -14.498357 -16.310778 L H-H1-0.143800(PDBName=HA,ResName=VAL,ResNum=237) 0 6.239548 -14.675784 -15.615516 L C-CT-0.194000(PDBName=CB,ResName=VAL,ResNum=237) 0 6.643997 -13.367116 -17.272657 L H-HC-0.030800(PDBName=HB,ResName=VAL,ResNum=237) 0 6.540176 -12.454869 -16.682128 L C-CT--0.306400(PDBName=CG1,ResName=VAL,ResNum=237) 0 7.676937 -13.091295 -18.373107 L H-HC-0.083600(PDBName=HG11,ResName=VAL,ResNum=237) 0 7.353751 -12.248965 -18.982332 L H-HC-0.083600(PDBName=HG12,ResName=VAL,ResNum=237) 0 8.640686 -12.856125 -17.923417 L H-HC-0.083600(PDBName=HG13,ResName=VAL,ResNum=237) 0 7.790976 -13.973286 -19.004422 L C-CT--0.306400(PDBName=CG2,ResName=VAL,ResNum=237) 0 5.280980 -13.638433 -17.916005 L H-HC-0.083600(PDBName=HG21,ResName=VAL,ResNum=237) 0 4.546006 -13.835290 -17.136014 L H-HC-0.083600(PDBName=HG22,ResName=VAL,ResNum=237) 0 4.966225 -12.774064 -18.498238 L H-HC-0.083600(PDBName=HG23,ResName=VAL,ResNum=237) 0 5.343758 -14.511444 -18.566746 L C-C-0.835000(PDBName=C,ResName=VAL,ResNum=237) 0 7.292056 -15.831362 -17.025708 L O-O2--0.817300(PDBName=O,ResName=VAL,ResNum=237) 0 6.301611 -16.572849 -17.193409 L O-O2--0.817300(PDBName=OXT,ResName=VAL,ResNum=237) 0 8.472609 -16.099535 -17.347108 L C-C-1.004947(PDBName=C18,ResName=GDS,ResNum=238) 0 -24.758580 -15.812630 -11.264535 L H-H1 94 0.0000 O-O2--0.856478(PDBName=O5,ResName=GDS,ResNum=238) 0 -24.295388 -14.882719 -11.950350 L O-O2--0.856478(PDBName=O6,ResName=GDS,ResNum=238) 0 -25.355627 -15.739653 -10.174015 L C-CT-0.021774(PDBName=C10,ResName=GDS,ResNum=238) 0 -24.317790 -20.994479 -5.838027 L H-HC 101 0.0000 C-CT-0.090430(PDBName=C6,ResName=GDS,ResNum=238) 0 -25.056993 -22.231250 -5.334398 L C-C-0.795436(PDBName=C20,ResName=GDS,ResNum=238) 0 -24.193420 -22.921690 -4.258358 L O-O2--0.768529(PDBName=O7,ResName=GDS,ResNum=238) 0 -24.632839 -23.017729 -3.093711 L O-O2--0.768529(PDBName=O8,ResName=GDS,ResNum=238) 0 -23.074687 -23.386360 -4.578011 L N-N3--0.516764(PDBName=N6,ResName=GDS,ResNum=238) 0 -26.422249 -21.835787 -4.881695 L H-H-0.336685(PDBName=H23,ResName=GDS,ResNum=238) 0 -26.938683 -22.626004 -4.507066 L H-H-0.336685(PDBName=H24,ResName=GDS,ResNum=238) 0 -26.378997 -21.129133 -4.150499 L H-H-0.336685(PDBName=H26,ResName=GDS,ResNum=238) 0 -26.947431 -21.447030 -5.662277 L H-HP-0.075961(PDBName=H8,ResName=GDS,ResNum=238) 0 -25.160528 -22.929737 -6.164729 L H-HC-0.040870(PDBName=H15,ResName=GDS,ResNum=238) 0 -25.053030 -20.257367 -6.170665 L H-HC-0.040870(PDBName=H16,ResName=GDS,ResNum=238) 0 -23.771227 -20.575456 -4.999120 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=239) -1 -7.702548 -11.070429 -4.895808 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=239) -1 -7.277635 -10.398492 -5.503407 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=239) -1 -7.116935 -10.942193 -4.118823 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=240) -1 -6.198222 5.343544 9.690087 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=240) -1 -5.373918 5.735066 9.322447 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=240) -1 -5.965508 4.387326 9.614817 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=242) -1 17.173468 -10.469817 -2.552578 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=242) -1 16.257878 -10.794206 -2.687679 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=242) -1 17.208187 -10.483643 -1.571470 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=243) -1 -3.661979 4.635905 2.008700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=243) -1 -4.055227 5.513400 2.229893 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=243) -1 -4.132192 4.082456 2.665334 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=244) -1 31.521465 -1.626781 15.001892 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=244) -1 30.641541 -1.748825 14.573163 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=244) -1 32.016727 -1.216480 14.262261 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=245) -1 -1.390144 3.801080 15.192926 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=245) -1 -1.374867 3.462192 14.259480 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=245) -1 -1.055246 2.996176 15.644683 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=246) -1 -11.273767 -21.018873 -0.498725 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=246) -1 -11.182647 -20.271873 0.129471 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=246) -1 -11.853981 -20.610871 -1.180439 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=248) -1 -12.773856 -22.753016 -3.043437 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=248) -1 -11.809171 -22.942274 -3.059264 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=248) -1 -12.744698 -21.795529 -2.794490 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=250) -1 -9.314876 -13.283308 -4.528522 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=250) -1 -8.754057 -12.503190 -4.721793 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=250) -1 -10.205536 -12.906024 -4.608089 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=251) -1 -15.487189 -11.549230 -11.577094 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=251) -1 -15.765078 -12.372822 -12.082076 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=251) -1 -16.178979 -11.562969 -10.890905 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=253) -1 -9.421829 -20.115391 -2.301374 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=253) -1 -9.215814 -19.280151 -1.823419 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=253) -1 -9.943762 -20.578464 -1.607821 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=255) -1 -14.266953 -9.793123 -13.105659 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=255) -1 -13.347160 -9.919639 -12.774662 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=255) -1 -14.714165 -10.489831 -12.543075 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=257) -1 -24.913339 -14.382261 -14.369194 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=257) -1 -24.254909 -13.645329 -14.488109 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=257) -1 -24.679380 -14.607215 -13.420511 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=258) -1 -14.551430 -24.706168 -2.982760 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=258) -1 -13.925431 -23.938816 -3.067369 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=258) -1 -15.234610 -24.411396 -3.635555 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=259) -1 -21.631261 -15.172379 -11.972486 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=259) -1 -22.597092 -15.000132 -12.018025 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=259) -1 -21.302454 -14.542641 -12.639747 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=260) -1 -22.881068 -23.889182 -1.384780 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=260) -1 -22.599510 -24.688331 -1.890561 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=260) -1 -23.547348 -23.536679 -2.039668 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=261) -1 -21.173972 -11.433553 -12.415044 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=261) -1 -20.327077 -11.049069 -12.099546 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=261) -1 -20.836396 -12.234986 -12.869218 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=262) -1 -25.700432 -13.092910 -10.801230 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=262) -1 -25.175292 -13.697000 -11.396825 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=262) -1 -25.549268 -13.572325 -9.956087 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=263) -1 -27.537162 -14.896630 -14.446103 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=263) -1 -26.564282 -14.704111 -14.397878 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=263) -1 -27.864715 -14.025938 -14.721954 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=264) -1 -17.994130 -12.540315 -14.450966 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=264) -1 -17.613628 -11.625771 -14.462216 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=264) -1 -17.366293 -12.943965 -13.787746 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=266) -1 -28.436085 -13.491755 -10.651902 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=266) -1 -27.545745 -13.116969 -10.843820 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=266) -1 -28.194301 -14.444967 -10.584209 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=267) -1 -29.553709 -16.053505 -8.436698 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=267) -1 -30.336554 -15.771514 -8.970246 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=267) -1 -28.875016 -16.026368 -9.159898 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=269) -1 -19.030156 -16.756117 6.816754 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=269) -1 -19.600669 -17.497275 6.573375 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=269) -1 -19.209031 -16.120847 6.098206 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=270) -1 7.607620 -2.898435 -12.461651 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=270) -1 8.032372 -2.991922 -11.578526 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=270) -1 7.639954 -3.838875 -12.754620 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=271) -1 -20.014338 -18.722246 3.066804 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=271) -1 -20.982564 -18.641503 2.998200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=271) -1 -19.744713 -18.533141 2.143796 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=272) -1 30.238735 11.877686 -2.448812 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=272) -1 29.949003 12.274257 -3.309722 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=272) -1 29.365148 11.872985 -1.990041 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=273) -1 -16.242025 -16.657893 -16.824145 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=273) -1 -16.012876 -16.485086 -17.750615 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=273) -1 -16.719733 -15.809953 -16.610926 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=274) -1 25.218053 -4.563717 -12.745051 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=274) -1 25.153370 -5.387476 -12.207673 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=274) -1 24.277506 -4.296688 -12.758549 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=275) -1 -13.161847 27.106721 2.649479 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=275) -1 -12.398022 26.508183 2.497307 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=275) -1 -13.149551 27.146270 3.632779 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=276) -1 20.215487 -16.466570 -0.287236 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=276) -1 19.308002 -16.279917 0.085054 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=276) -1 20.749989 -16.184104 0.481233 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=277) -1 0.312291 -14.826455 -9.734553 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=277) -1 0.409641 -14.990217 -8.758879 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=277) -1 1.129710 -14.333764 -9.901186 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=278) -1 -27.607668 -10.257463 -8.467935 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=278) -1 -26.877816 -10.244566 -9.121374 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=278) -1 -27.671903 -9.294488 -8.265622 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=279) -1 25.575786 -9.771449 -16.698402 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=279) -1 24.863149 -9.091993 -16.637864 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=279) -1 25.054761 -10.563975 -16.409482 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=280) -1 19.774797 8.144823 -14.895034 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=280) -1 19.840408 9.138415 -14.914409 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=280) -1 19.971424 7.948141 -15.824126 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=281) -1 2.098037 -1.354361 -8.209478 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=281) -1 3.027747 -1.126260 -7.958552 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=281) -1 1.686614 -0.461074 -8.093903 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=282) -1 -21.042987 -3.248823 -17.638391 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=282) -1 -21.685115 -3.688911 -17.018228 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=282) -1 -21.360436 -3.597580 -18.483524 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=283) -1 -23.674483 23.138786 -4.707082 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=283) -1 -23.260431 23.105512 -5.594799 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=283) -1 -24.608415 22.950087 -4.943888 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=284) -1 -7.575212 -18.648958 11.437703 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=284) -1 -8.563457 -18.713235 11.388076 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=284) -1 -7.494602 -17.710722 11.729734 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=285) -1 -23.352160 21.627369 10.067409 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=285) -1 -23.109165 20.968697 9.373768 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=285) -1 -24.017471 21.132095 10.562388 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=286) -1 1.961607 8.658573 7.664217 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=286) -1 2.155116 8.189664 8.490737 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=286) -1 2.479598 8.107983 7.026368 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=287) -1 21.852994 12.579521 -2.931595 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=287) -1 22.027695 12.190016 -2.038805 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=287) -1 21.701531 13.516164 -2.662141 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=288) -1 -13.727589 24.029616 -16.119268 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=288) -1 -13.220310 23.534545 -16.778130 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=288) -1 -14.607080 24.083816 -16.563308 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=289) -1 -15.205868 17.123362 2.529473 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=289) -1 -15.973944 16.707343 2.994478 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=289) -1 -14.654750 17.356330 3.314051 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=291) -1 10.090055 19.489658 16.547143 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=291) -1 10.785346 19.300740 15.872400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=291) -1 9.685922 18.618901 16.636760 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=292) -1 26.793986 1.453013 -9.859063 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=292) -1 27.478533 2.133741 -10.030988 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=292) -1 26.065322 1.792313 -10.426413 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=293) -1 -13.579107 7.160885 -12.254758 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=293) -1 -13.038767 6.563347 -12.822712 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=293) -1 -12.999952 7.185925 -11.453545 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=294) -1 -21.389659 -6.596931 15.730110 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=294) -1 -21.385096 -6.676827 14.743951 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=294) -1 -20.548786 -7.072106 15.926002 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=295) -1 -10.828246 15.173650 -6.470030 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=295) -1 -11.454385 14.779143 -7.131639 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=295) -1 -10.297534 14.358248 -6.276944 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=296) -1 -21.688045 2.311986 -11.404307 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=296) -1 -20.901994 2.521047 -11.969114 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=296) -1 -21.235129 1.865417 -10.655103 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=297) -1 -13.761052 8.985513 13.304999 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=297) -1 -14.386819 8.227434 13.379557 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=297) -1 -12.907673 8.491453 13.307533 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=298) -1 35.147319 -0.373185 11.404546 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=298) -1 35.087292 -0.476257 10.412952 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=298) -1 35.957576 -0.880802 11.567786 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=299) -1 19.312731 13.502407 -11.076209 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=299) -1 19.170384 14.197978 -11.737320 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=299) -1 19.216669 12.697532 -11.641378 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=301) -1 26.192362 -7.885405 -13.465140 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=301) -1 25.634739 -7.523424 -12.727802 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=301) -1 25.907642 -7.265889 -14.180161 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=302) -1 -10.155522 4.123703 15.242287 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=302) -1 -9.439668 3.917276 14.591319 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=302) -1 -10.811999 4.526549 14.621524 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=303) -1 18.545307 3.158680 -22.737221 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=303) -1 18.738136 2.628986 -21.942451 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=303) -1 17.606022 3.383454 -22.585334 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=304) -1 -21.006380 13.121513 12.700657 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=304) -1 -21.408612 13.288060 11.805157 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=304) -1 -21.748633 13.379218 13.266816 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=305) -1 -18.960325 1.360242 10.623123 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=305) -1 -19.703443 1.980661 10.535810 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=305) -1 -18.211888 1.979951 10.739912 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=306) -1 7.366890 -3.534935 5.145458 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=306) -1 8.229827 -3.577651 4.682009 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=306) -1 6.777911 -3.387588 4.366620 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=307) -1 4.939705 -10.511252 10.916342 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=307) -1 4.400627 -9.685052 10.916179 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=307) -1 5.761143 -10.145813 10.490426 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=308) -1 12.539607 13.729701 -11.502200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=308) -1 12.566970 13.026305 -12.190879 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=308) -1 13.473927 13.792666 -11.265062 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=309) -1 -10.283964 19.320978 -11.202550 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=309) -1 -10.400883 18.851063 -12.063721 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=309) -1 -10.242062 18.534927 -10.603510 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=310) -1 -10.540842 -1.053715 11.166219 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=310) -1 -10.908956 -1.687592 11.813646 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=310) -1 -9.777481 -0.704092 11.678766 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=311) -1 23.881309 15.437852 -6.565753 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=311) -1 23.521853 16.277603 -6.950630 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=311) -1 23.450659 15.511732 -5.669398 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=312) -1 -11.815204 14.443031 -0.427900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=312) -1 -12.518301 15.021803 -0.032565 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=312) -1 -12.387404 13.655475 -0.626970 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=313) -1 0.381371 -3.738621 14.628920 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=313) -1 0.545058 -4.312201 15.412327 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=313) -1 1.278743 -3.349140 14.521340 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=314) -1 -26.158867 -7.802990 -10.439381 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=314) -1 -26.655603 -7.733741 -9.598043 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=314) -1 -25.900316 -8.747022 -10.416375 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=315) -1 -19.349485 14.459823 -2.580146 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=315) -1 -19.577719 13.568671 -2.950065 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=315) -1 -18.966028 14.860739 -3.398032 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=316) -1 19.645769 -18.761924 -1.592538 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=316) -1 19.879526 -17.932941 -1.109996 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=316) -1 20.317297 -19.367002 -1.248909 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=317) -1 -21.911941 -16.772100 5.478850 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=317) -1 -21.205074 -16.154556 5.208989 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=317) -1 -22.221688 -16.367952 6.300947 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=318) -1 -13.604218 5.206824 11.421793 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=318) -1 -13.307334 6.025594 10.951082 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=318) -1 -14.245922 4.864802 10.741251 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=319) -1 29.227841 13.007015 -4.768270 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=319) -1 30.074859 13.033393 -5.281790 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=319) -1 28.623952 12.707142 -5.488793 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=320) -1 -18.349494 26.280931 3.058661 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=320) -1 -18.242765 25.320545 2.910004 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=320) -1 -17.445181 26.526587 3.343060 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=321) -1 -20.249251 29.157883 -3.477054 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=321) -1 -20.024256 29.409347 -4.402662 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=321) -1 -20.475633 30.019903 -3.103068 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=322) -1 23.776654 6.365698 -13.235842 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=322) -1 24.362886 5.603121 -12.956821 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=322) -1 22.910235 5.965811 -12.986631 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=323) -1 25.122305 -13.989368 -14.140478 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=323) -1 24.185223 -14.084491 -13.833423 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=323) -1 25.335342 -14.914326 -14.332874 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=324) -1 15.884936 9.387418 -13.423567 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=324) -1 15.987214 9.793674 -12.543157 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=324) -1 15.135096 8.764670 -13.242749 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=325) -1 -27.889052 -14.952964 -1.095799 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=325) -1 -27.669883 -14.053064 -0.746123 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=325) -1 -28.877192 -14.869367 -1.113319 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=326) -1 12.346383 14.463094 -6.186500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=326) -1 11.392301 14.492006 -5.916838 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=326) -1 12.293456 13.665357 -6.782478 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=327) -1 -25.844169 2.167819 -3.863197 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=327) -1 -26.378764 1.453615 -3.447963 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=327) -1 -26.391105 2.345376 -4.658372 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=328) -1 14.781281 15.935485 -5.650250 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=328) -1 15.241369 15.607878 -4.847024 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=328) -1 14.106305 15.242045 -5.771536 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=329) -1 3.008634 -2.835805 -4.219701 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=329) -1 3.829605 -2.909889 -4.778252 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=329) -1 3.091836 -1.878858 -3.978844 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=330) -1 11.835280 16.967487 -7.270822 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=330) -1 12.211084 16.163883 -6.858011 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=330) -1 12.316316 17.661295 -6.769242 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=331) -1 -6.627617 11.421873 16.646201 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=331) -1 -6.991854 10.690638 16.092117 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=331) -1 -5.875349 10.978229 17.058929 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=332) -1 -1.540504 -16.156132 -4.274944 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=332) -1 -2.481055 -16.428653 -4.325455 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=332) -1 -1.183791 -16.658876 -5.046231 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=333) -1 0.681707 -10.649862 14.168101 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=333) -1 0.762689 -11.628240 14.171359 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=333) -1 1.596757 -10.385912 14.002484 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=334) -1 -24.106133 7.678229 5.382365 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=334) -1 -24.187002 6.919702 5.984315 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=334) -1 -23.210269 7.481582 4.991630 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=335) -1 3.186022 6.181965 -2.166749 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=335) -1 4.072245 6.599872 -2.309652 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=335) -1 3.477694 5.251298 -2.031412 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=336) -1 31.803588 10.801911 2.737294 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=336) -1 31.006033 11.187144 3.118780 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=336) -1 31.694838 11.020045 1.788828 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=337) -1 -15.267819 32.356889 -1.971728 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=337) -1 -15.127811 33.188285 -1.497234 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=337) -1 -15.437017 31.745691 -1.211443 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=338) -1 7.539605 11.666434 -7.582566 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=338) -1 8.436118 12.060459 -7.481040 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=338) -1 7.296023 12.048171 -8.453762 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=339) -1 9.117095 -0.983074 -13.633996 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=339) -1 9.461982 -0.787990 -12.730059 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=339) -1 8.505297 -1.725878 -13.406578 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=340) -1 14.137429 18.352051 -2.821087 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=340) -1 15.022123 18.045817 -2.531149 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=340) -1 13.574875 17.663073 -2.387783 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=341) -1 9.714734 14.332854 -5.658406 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=341) -1 9.714131 13.768141 -6.472175 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=341) -1 8.743940 14.475271 -5.568165 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=342) -1 -24.405382 14.216706 2.745707 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=342) -1 -24.698101 13.444330 3.286458 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=342) -1 -23.852997 13.729675 2.077574 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=343) -1 -2.485752 -5.139045 19.174310 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=343) -1 -3.246183 -5.496822 19.674539 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=343) -1 -2.482187 -4.215377 19.504038 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=344) -1 -8.786694 20.954748 4.821388 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=344) -1 -9.455573 20.289638 4.520975 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=344) -1 -9.048949 21.016353 5.770079 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=345) -1 -12.449625 -26.401224 -3.361940 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=345) -1 -13.247064 -25.817488 -3.335423 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=345) -1 -12.795532 -27.150840 -2.820852 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=346) -1 -10.877743 -16.325050 17.326511 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=346) -1 -10.594616 -16.377124 16.370030 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=346) -1 -11.595110 -17.003406 17.289950 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=347) -1 27.440212 7.636060 -8.252076 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=347) -1 27.587668 8.591240 -8.094916 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=347) -1 27.444665 7.617745 -9.230884 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=348) -1 -15.758280 -21.483801 2.862635 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=348) -1 -15.293089 -21.397473 3.722490 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=348) -1 -16.661666 -21.211079 3.126589 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=349) -1 15.844759 1.404456 -20.492076 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=349) -1 15.657954 2.156621 -21.085543 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=349) -1 14.954116 1.195589 -20.156763 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=350) -1 20.098017 1.963563 14.304883 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=350) -1 20.602955 2.804272 14.405405 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=350) -1 20.606739 1.392732 14.924686 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=351) -1 25.151943 -14.821102 -9.521861 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=351) -1 24.442578 -15.235338 -10.066001 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=351) -1 25.033836 -13.884944 -9.770670 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=352) -1 -12.239106 3.334974 20.782684 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=352) -1 -11.428001 2.777772 20.738822 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=352) -1 -11.911312 4.096204 21.282126 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=353) -1 3.830586 -13.609933 -3.249157 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=353) -1 4.648720 -13.267646 -2.819354 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=353) -1 3.183108 -13.427797 -2.531446 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=354) -1 -11.885870 3.722170 -15.817960 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=354) -1 -12.273923 3.622133 -16.699420 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=354) -1 -11.700523 2.780165 -15.592417 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=355) -1 -20.957316 -6.830905 13.043487 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=355) -1 -19.978627 -6.738628 13.132956 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=355) -1 -21.104388 -6.131526 12.345720 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=356) -1 -26.357669 -28.763190 -5.197742 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=356) -1 -26.552455 -28.526011 -4.271202 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=356) -1 -25.532498 -28.257391 -5.339354 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=357) -1 -11.845457 -25.591048 0.223580 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=357) -1 -12.804193 -25.622304 0.001226 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=357) -1 -11.784384 -26.299784 0.878990 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=358) -1 -9.302314 -6.813104 20.140691 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=358) -1 -8.560482 -7.391908 20.413273 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=358) -1 -9.178599 -6.070252 20.776148 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=359) -1 -8.172900 16.322709 -0.874101 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=359) -1 -8.319651 15.738049 -0.094002 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=359) -1 -8.761718 15.860774 -1.519848 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=360) -1 -13.006208 29.499285 -6.808156 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=360) -1 -12.763257 28.722173 -7.373706 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=360) -1 -12.299167 29.379964 -6.115177 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=361) -1 -4.351284 -16.524832 -4.781187 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=361) -1 -4.346386 -15.730678 -4.195665 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=361) -1 -5.152454 -16.976766 -4.414096 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=362) -1 12.629122 15.417100 7.509398 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=362) -1 12.543783 16.334937 7.169118 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=362) -1 13.545750 15.216099 7.238111 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=363) -1 8.687347 -2.656605 -16.800282 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=363) -1 8.796466 -3.302426 -16.052017 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=363) -1 8.350144 -3.252811 -17.485885 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=364) -1 -21.799883 -1.750914 -14.091216 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=364) -1 -22.225540 -0.924202 -13.750575 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=364) -1 -22.557930 -2.374525 -13.958768 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=365) -1 33.387390 -4.599580 6.193832 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=365) -1 32.456483 -4.275383 6.179849 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=365) -1 33.605491 -4.459570 5.237400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=366) -1 -24.351550 5.921046 -4.725610 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=366) -1 -25.144804 5.592776 -5.200120 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=366) -1 -24.235949 5.198434 -4.067276 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=367) -1 7.317130 15.401796 -7.945416 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=367) -1 8.171905 15.824320 -8.180932 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=367) -1 7.266758 14.726616 -8.657127 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=368) -1 -13.836171 -27.887232 -1.501518 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=368) -1 -14.584092 -28.476907 -1.357230 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=368) -1 -14.133491 -27.074287 -1.038769 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=369) -1 -3.131932 -5.760315 -13.423875 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=369) -1 -3.178491 -6.621481 -13.858740 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=369) -1 -4.068527 -5.468754 -13.474328 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=370) -1 -0.767811 6.499511 -7.334695 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=370) -1 -0.211600 6.486565 -8.131445 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=370) -1 -0.062787 6.385198 -6.640670 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=371) -1 -22.584238 -4.464140 -15.874519 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=371) -1 -21.947860 -4.925163 -15.283145 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=371) -1 -23.205443 -4.108448 -15.200570 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=372) -1 31.327189 -3.359982 17.182871 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=372) -1 31.613655 -2.861581 16.389804 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=372) -1 30.423669 -3.000818 17.295106 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=374) -1 5.741648 -12.950546 11.895210 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=374) -1 4.918634 -13.163197 12.387283 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=374) -1 5.600357 -11.989987 11.742295 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=375) -1 9.577285 13.626690 2.268212 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=375) -1 10.296105 14.208985 2.625732 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=375) -1 8.814397 14.216324 2.372652 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=376) -1 16.282984 13.000736 14.262769 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=376) -1 15.581421 12.917033 13.563508 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=376) -1 16.739004 12.140675 14.115711 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=377) -1 -29.321101 -16.143261 -12.765061 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=377) -1 -28.736149 -16.136123 -11.975704 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=377) -1 -28.735058 -15.687359 -13.410896 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=378) -1 -8.251189 -18.650709 -5.630444 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=378) -1 -8.917142 -18.008062 -5.956857 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=378) -1 -8.479997 -19.429846 -6.188111 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=379) -1 -19.959182 12.256228 -4.042197 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=379) -1 -20.329959 11.355690 -4.198285 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=379) -1 -19.121701 12.174685 -4.557985 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=380) -1 3.409480 3.784947 -6.508982 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=380) -1 3.718047 2.920358 -6.186555 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=380) -1 2.514495 3.817894 -6.081335 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=381) -1 -14.323435 18.330995 9.370152 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=381) -1 -14.626790 19.096128 8.833360 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=381) -1 -15.191093 18.075235 9.782638 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=382) -1 34.402070 -3.036756 -1.835575 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=382) -1 34.146727 -3.984106 -1.762226 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=382) -1 34.071357 -2.821321 -2.716046 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=383) -1 -12.258853 -5.956441 -13.230087 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=383) -1 -12.475627 -6.599599 -13.942925 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=383) -1 -13.168517 -5.734365 -12.932804 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=384) -1 -7.387092 -8.688844 20.891370 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=384) -1 -7.378998 -8.821080 21.854577 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=384) -1 -6.451038 -8.363433 20.769583 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=385) -1 11.851827 18.554831 14.719428 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=385) -1 11.731709 17.623504 14.391916 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=385) -1 12.676924 18.783189 14.268981 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=386) -1 35.527489 0.606463 1.297983 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=386) -1 34.906927 1.051292 0.675270 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=386) -1 35.754208 -0.186759 0.750757 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=387) -1 -18.667242 16.900553 8.869354 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=387) -1 -18.586258 16.650909 7.927708 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=387) -1 -19.639398 17.060076 8.921316 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=388) -1 -21.706449 23.697922 9.595085 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=388) -1 -22.327991 22.944566 9.752100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=388) -1 -21.850612 24.217717 10.395747 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=389) -1 13.178731 10.166048 15.551081 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=389) -1 13.767084 10.058550 14.764120 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=389) -1 13.583125 10.985387 15.931553 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=390) -1 -19.166792 -5.011672 -11.800436 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=390) -1 -19.748394 -5.060905 -11.005948 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=390) -1 -19.251883 -4.048901 -11.998992 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=391) -1 1.064150 10.889945 0.534141 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=391) -1 1.976680 10.534112 0.348805 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=391) -1 0.813683 10.261311 1.255710 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=392) -1 -4.650063 6.777024 17.785166 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=392) -1 -3.888838 7.345754 17.982146 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=392) -1 -4.175257 6.026043 17.325759 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=393) -1 -12.218594 0.364174 19.183070 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=393) -1 -12.478467 1.104857 18.594682 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=393) -1 -12.555219 -0.395430 18.640304 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=394) -1 -10.510283 28.771064 -13.912257 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=394) -1 -10.009940 29.596327 -13.937416 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=394) -1 -11.395491 29.094071 -13.629068 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=395) -1 -31.558481 -22.494379 -4.747129 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=395) -1 -31.122901 -22.360738 -3.875169 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=395) -1 -31.223879 -23.399062 -4.955320 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=396) -1 20.479636 -2.748105 -16.612427 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=396) -1 19.804362 -3.449518 -16.789706 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=396) -1 20.246825 -2.530264 -15.685587 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=397) -1 -2.431401 -8.122255 16.787283 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=397) -1 -3.411769 -7.995843 16.833575 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=397) -1 -2.385607 -8.932698 16.240292 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=398) -1 8.305390 6.576473 7.834275 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=398) -1 7.794431 6.258326 8.627147 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=398) -1 8.337437 7.525268 8.029561 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=399) -1 -3.636238 -14.214280 -12.658553 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=399) -1 -4.386232 -13.857415 -13.196276 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=399) -1 -3.576211 -15.115031 -13.040594 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=400) -1 -24.101816 1.047097 1.809249 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=400) -1 -24.177044 0.151265 1.407745 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=400) -1 -23.891137 0.784942 2.741130 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=401) -1 -14.423884 -15.945848 15.552453 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=401) -1 -15.388712 -16.041795 15.545493 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=401) -1 -14.298034 -15.546741 16.454271 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=402) -1 26.492572 5.613511 -3.935546 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=402) -1 27.143272 5.775082 -4.672118 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=402) -1 25.698046 5.435562 -4.498124 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=403) -1 -4.451223 -1.493477 22.571796 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=403) -1 -3.999785 -1.284647 23.404691 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=403) -1 -5.042991 -0.693158 22.500188 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=404) -1 -30.549967 -14.976899 -1.448459 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=404) -1 -30.748510 -14.592632 -2.330073 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=404) -1 -31.076229 -15.800199 -1.491821 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=405) -1 -0.042338 -15.375782 2.150891 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=405) -1 -0.288296 -15.521793 3.091964 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=405) -1 -0.859794 -14.925656 1.832250 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=406) -1 -23.180743 20.363047 4.250693 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=406) -1 -23.238668 19.601966 4.868263 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=406) -1 -22.966133 19.890575 3.414937 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=407) -1 -14.644477 -17.645804 9.583408 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=407) -1 -15.346771 -17.269656 9.006682 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=407) -1 -14.547262 -16.884197 10.217303 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=408) -1 12.795885 5.796660 -18.859261 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=408) -1 13.179276 5.530596 -17.993672 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=408) -1 12.663886 4.910044 -19.259944 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=409) -1 6.779488 -5.653793 1.164561 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=409) -1 7.377837 -6.304860 0.707576 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=409) -1 6.433247 -5.206258 0.345721 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=410) -1 16.790018 20.163021 3.254547 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=410) -1 16.213790 20.262420 2.450886 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=410) -1 17.158308 19.261427 3.036566 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=411) -1 10.906848 -1.528798 -15.642335 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=411) -1 10.321551 -1.266906 -14.889248 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=411) -1 10.224283 -1.934397 -16.228240 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=412) -1 8.484859 -7.115277 -7.181092 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=412) -1 9.443959 -6.882351 -7.222870 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=412) -1 8.329791 -6.983038 -6.217262 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=413) -1 -26.684952 1.873758 2.132913 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=413) -1 -26.813319 1.235235 2.878513 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=413) -1 -25.741257 1.670721 1.925444 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=414) -1 10.076949 5.007164 11.457436 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=414) -1 10.432116 5.343820 10.609106 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=414) -1 10.625282 5.509495 12.094362 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=415) -1 22.455654 15.896397 -4.346454 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=415) -1 21.600487 16.337092 -4.550885 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=415) -1 22.280015 15.601483 -3.429346 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=416) -1 -22.190294 -25.586333 -3.438211 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=416) -1 -22.538059 -24.782102 -3.900507 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=416) -1 -21.281481 -25.597844 -3.789908 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=417) -1 20.963693 -17.808631 -13.912997 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=417) -1 20.041573 -17.917348 -14.233479 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=417) -1 21.102325 -16.868508 -14.220256 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=418) -1 24.214509 19.866022 -10.951566 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=418) -1 24.227871 18.924133 -10.658502 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=418) -1 23.543592 20.228506 -10.361042 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=419) -1 -21.297517 -7.674651 -11.032283 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=419) -1 -20.352529 -7.831131 -11.262334 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=419) -1 -21.190812 -6.934822 -10.397218 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=420) -1 13.832925 15.206067 4.441640 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=420) -1 14.416813 14.818969 5.120232 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=420) -1 14.283299 16.072270 4.299000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=421) -1 5.859647 -12.483772 -1.753203 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=421) -1 6.789659 -12.559469 -1.455105 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=421) -1 5.636749 -11.588165 -1.451959 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=422) -1 -15.370516 5.213603 -11.475639 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=422) -1 -14.906065 6.060878 -11.652899 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=422) -1 -15.332118 4.815846 -12.375874 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=423) -1 -3.606737 -17.652415 -7.099316 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=423) -1 -3.884534 -17.136732 -6.297321 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=423) -1 -4.292702 -18.341839 -7.095274 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=424) -1 -9.628278 28.953057 -2.974560 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=424) -1 -8.837967 28.505559 -2.588689 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=424) -1 -10.203118 28.997123 -2.188100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=425) -1 -7.750599 23.522292 -10.936758 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=425) -1 -7.125233 22.846976 -10.574500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=425) -1 -7.770261 24.137326 -10.164736 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=426) -1 31.356103 11.324855 0.054827 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=426) -1 31.140916 11.485688 -0.892012 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=426) -1 31.924838 10.521888 -0.045395 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=427) -1 -8.093160 -16.859699 -13.026586 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=427) -1 -7.215992 -16.763202 -12.593330 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=427) -1 -8.545304 -16.062462 -12.684027 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=428) -1 23.905113 0.621513 -9.472155 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=428) -1 24.262215 1.143506 -8.717761 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=428) -1 24.073580 1.275780 -10.197598 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=429) -1 -17.866100 -2.614802 17.049191 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=429) -1 -18.368267 -2.263899 16.296867 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=429) -1 -18.317580 -3.488663 17.163585 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=430) -1 -24.948886 -3.616041 -0.967931 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=430) -1 -24.682560 -4.339833 -0.361582 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=430) -1 -24.327563 -3.794807 -1.719733 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=431) -1 13.256848 -18.203334 1.216693 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=431) -1 13.171156 -17.289847 1.591452 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=431) -1 14.220335 -18.175703 0.990694 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=432) -1 -21.320996 17.460002 8.743958 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=432) -1 -21.756375 18.332131 8.831757 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=432) -1 -22.102176 16.890320 8.588383 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=433) -1 18.390750 2.082037 -20.097001 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=433) -1 18.157083 2.997901 -19.834828 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=433) -1 17.481731 1.722765 -20.257215 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=434) -1 -20.724658 6.077515 -5.845829 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=434) -1 -21.540789 5.923772 -6.393290 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=434) -1 -20.484385 5.115329 -5.707041 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=435) -1 -7.946452 25.518236 -12.800428 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=435) -1 -7.880575 24.710868 -12.236391 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=435) -1 -7.069547 25.516608 -13.214229 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=436) -1 9.037247 -8.267600 -9.571482 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=436) -1 8.722997 -8.056064 -8.660930 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=436) -1 9.847565 -8.777439 -9.347070 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=437) -1 -5.284907 -1.443365 -11.033625 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=437) -1 -5.628669 -1.049742 -11.866956 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=437) -1 -4.963180 -0.621012 -10.592486 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=438) -1 20.086555 10.112858 12.785965 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=438) -1 20.447762 11.033849 12.772163 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=438) -1 20.734008 9.698494 12.157734 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=439) -1 23.863381 17.435484 -9.793090 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=439) -1 23.281125 17.509051 -9.001948 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=439) -1 23.949440 16.463916 -9.849376 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=440) -1 -17.549443 12.867165 -9.068136 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=440) -1 -18.376231 13.368322 -8.897824 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=440) -1 -17.826709 11.976316 -8.760630 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=441) -1 10.613459 15.185057 -3.105429 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=441) -1 10.254544 14.314058 -2.837020 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=441) -1 10.299660 15.219950 -4.032625 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=442) -1 6.378470 -6.343660 -8.723484 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=442) -1 7.110924 -6.691768 -8.159030 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=442) -1 6.252237 -5.467774 -8.275930 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=443) -1 -11.733069 -9.688250 -15.792501 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=443) -1 -11.095586 -10.066876 -15.144531 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=443) -1 -11.751514 -10.386162 -16.460322 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=444) -1 12.857744 -19.768450 -2.734827 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=444) -1 12.255259 -19.387190 -2.061084 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=444) -1 13.551824 -20.144461 -2.145612 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=445) -1 15.490490 -12.334382 10.707707 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=445) -1 16.415051 -12.026783 10.896740 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=445) -1 15.685639 -13.301500 10.618528 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=446) -1 -21.491024 -9.199737 9.492791 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=446) -1 -22.199145 -8.535865 9.678096 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=446) -1 -21.077895 -8.760831 8.708807 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=447) -1 -15.491990 14.473708 -6.172159 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=447) -1 -15.313714 13.554418 -5.867338 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=447) -1 -15.378625 14.346623 -7.141616 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=448) -1 29.102411 8.338324 13.970534 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=448) -1 29.990842 8.108340 14.362292 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=448) -1 28.700224 7.438470 14.002365 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=449) -1 9.245539 -6.139213 3.963832 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=449) -1 9.212454 -5.267082 3.508548 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=449) -1 9.932936 -5.948281 4.638299 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=450) -1 -10.124424 15.244982 -2.394670 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=450) -1 -10.495621 14.622898 -3.075336 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=450) -1 -10.704179 14.966535 -1.635790 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=451) -1 -18.748159 26.214039 -4.991608 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=451) -1 -18.827327 26.790795 -5.796151 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=451) -1 -18.908106 25.339084 -5.449530 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=452) -1 -15.177221 11.898140 -5.364645 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=452) -1 -14.711707 12.009343 -4.489130 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=452) -1 -14.728372 11.068276 -5.650920 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=453) -1 22.535597 -6.759099 -13.073486 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=453) -1 23.351136 -6.929353 -12.527332 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=453) -1 22.517693 -5.771760 -12.989301 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=454) -1 -11.261876 5.011809 -8.805370 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=454) -1 -10.527360 4.490242 -9.187010 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=454) -1 -12.032106 4.478151 -9.104169 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=455) -1 24.589061 -4.033473 -16.886301 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=455) -1 23.937813 -3.705647 -17.560149 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=455) -1 24.535086 -3.262791 -16.261758 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=456) -1 -8.259123 20.634214 0.307012 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=456) -1 -8.036510 20.916996 1.220854 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=456) -1 -9.240912 20.561214 0.391542 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=457) -1 -6.924329 5.066313 -9.527283 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=457) -1 -7.803726 4.814796 -9.915534 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=457) -1 -6.353333 4.496480 -10.109826 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=458) -1 -20.965166 14.000207 -5.818094 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=458) -1 -20.238868 14.645078 -5.621095 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=458) -1 -20.737447 13.328702 -5.120369 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=459) -1 -19.052640 28.081204 1.242953 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=459) -1 -19.892643 27.745889 0.860932 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=459) -1 -18.936154 27.419785 1.973142 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=460) -1 -13.317198 -1.453733 17.582718 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=460) -1 -14.287687 -1.320212 17.526389 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=460) -1 -13.229289 -2.370365 17.286524 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=461) -1 -26.690565 -0.051049 -10.310300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=461) -1 -26.910430 -0.998890 -10.120247 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=461) -1 -27.155445 0.061506 -11.157244 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=462) -1 11.654258 17.770223 4.119975 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=462) -1 12.226115 18.429387 3.663682 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=462) -1 11.993320 17.859269 5.035600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=463) -1 -22.811642 22.811726 -7.373976 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=463) -1 -23.743196 22.502682 -7.511386 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=463) -1 -22.741985 23.434462 -8.133541 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=464) -1 8.508741 -12.908037 -0.859391 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=464) -1 9.216114 -12.442049 -0.365265 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=464) -1 9.071400 -13.360962 -1.543268 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=465) -1 -5.714935 -4.891538 -13.217070 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=465) -1 -6.168230 -4.120531 -13.634153 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=465) -1 -5.513043 -4.501874 -12.334576 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=466) -1 -11.753319 21.361967 -12.219164 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=466) -1 -11.283150 20.700638 -11.650877 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=466) -1 -12.240633 20.732013 -12.803689 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=467) -1 27.280085 7.977027 -11.069921 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=467) -1 27.327863 7.900852 -12.057801 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=467) -1 26.630500 8.724028 -11.014578 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=468) -1 8.734781 -2.893273 -9.990478 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=468) -1 8.794490 -3.847244 -9.756365 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=468) -1 7.929497 -2.646879 -9.476059 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=469) -1 11.481221 -15.402907 8.336882 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=469) -1 12.256435 -14.805651 8.381613 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=469) -1 11.854013 -16.128336 7.788651 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=470) -1 21.794113 12.786179 -14.719718 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=470) -1 22.469757 12.258878 -14.223107 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=470) -1 22.246227 13.636312 -14.785235 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=471) -1 -14.399211 26.412697 -9.630281 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=471) -1 -15.270779 26.722202 -9.281735 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=471) -1 -14.128044 27.199600 -10.136820 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=472) -1 3.441283 6.977055 6.129857 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=472) -1 4.407479 6.883655 6.316950 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=472) -1 3.266271 6.043879 5.839989 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=473) -1 -16.871882 20.347877 -0.903797 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=473) -1 -15.897551 20.221583 -1.044861 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=473) -1 -17.194750 19.793068 -1.649378 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=474) -1 -9.251236 -1.375488 -14.735841 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=474) -1 -8.667137 -2.139527 -14.605114 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=474) -1 -10.122143 -1.741434 -14.506719 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=475) -1 -24.443617 -16.817129 -15.438180 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=475) -1 -24.607492 -15.906993 -15.098064 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=475) -1 -23.511339 -16.756310 -15.683723 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=476) -1 -12.292513 -22.997332 1.004271 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=476) -1 -11.868713 -22.361335 0.380460 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=476) -1 -11.950532 -23.842937 0.644546 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=477) -1 2.986246 3.150153 -11.752710 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=477) -1 3.188166 3.415090 -10.815620 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=477) -1 3.831956 3.438262 -12.169453 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=478) -1 11.108391 -6.785346 -7.788920 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=478) -1 11.384920 -7.661584 -8.121602 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=478) -1 11.625539 -6.191108 -8.364151 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=479) -1 11.443523 -18.336563 -0.843079 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=479) -1 12.127948 -18.379729 -0.133491 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=479) -1 10.712029 -17.919503 -0.326083 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=480) -1 0.712749 -15.277412 -7.136640 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=480) -1 0.159969 -16.015777 -6.812927 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=480) -1 1.103110 -14.964111 -6.290407 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=481) -1 5.607497 7.313682 -2.374617 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=481) -1 5.673726 7.917488 -1.597937 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=481) -1 6.525661 6.951083 -2.371660 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=482) -1 25.237351 7.974186 -14.872511 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=482) -1 24.664719 7.325860 -14.404705 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=482) -1 24.590466 8.640468 -15.137589 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=483) -1 -18.765544 24.366912 -17.988648 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=483) -1 -19.497592 24.134123 -18.569818 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=483) -1 -19.183825 24.310895 -17.105082 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=484) -1 -27.539033 -7.607537 -8.010441 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=484) -1 -27.909157 -6.761884 -8.382107 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=484) -1 -27.514929 -7.343495 -7.059262 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=485) -1 -28.948158 22.455369 -1.292292 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=485) -1 -29.250744 22.531443 -0.366819 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=485) -1 -29.490759 21.699458 -1.603479 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=486) -1 -16.229481 24.258623 -17.039464 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=486) -1 -17.051698 24.299380 -17.589095 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=486) -1 -16.256569 25.184514 -16.674608 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=487) -1 -20.026988 -9.187946 11.753660 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=487) -1 -20.550989 -8.487839 12.195912 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=487) -1 -20.561326 -9.297338 10.928962 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=488) -1 -7.914039 26.507624 0.779970 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=488) -1 -8.088233 25.548951 0.940716 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=488) -1 -7.350915 26.717024 1.539205 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=489) -1 3.669845 -5.510995 -8.360141 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=489) -1 4.309237 -4.818575 -8.069278 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=489) -1 4.299978 -6.148830 -8.757532 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=490) -1 27.281758 3.506376 -7.478264 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=490) -1 27.677249 3.452204 -8.377946 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=490) -1 26.426551 3.058266 -7.638170 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=491) -1 -13.720982 18.098956 4.559780 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=491) -1 -13.127091 17.329657 4.760661 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=491) -1 -13.298768 18.759213 5.173002 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=492) -1 -11.338147 -24.679850 -5.337503 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=492) -1 -10.802054 -24.211161 -4.666782 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=492) -1 -11.696495 -25.414628 -4.800526 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=493) -1 0.689278 -13.402172 13.982763 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=493) -1 0.283325 -14.072467 14.580797 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=493) -1 -0.057814 -13.303097 13.341924 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=494) -1 10.950596 -12.657004 6.652735 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=494) -1 11.688264 -13.088315 7.140620 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=494) -1 11.322194 -11.751194 6.568812 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=495) -1 12.732842 16.311591 -1.706130 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=495) -1 12.629661 15.822018 -0.867443 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=495) -1 11.957139 15.969045 -2.206559 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=496) -1 -18.194753 15.048923 -0.102126 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=496) -1 -17.299100 14.637616 -0.074458 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=496) -1 -18.397063 14.927958 -1.058340 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=497) -1 -16.157910 -7.873517 -12.503377 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=497) -1 -15.414582 -8.503857 -12.612768 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=497) -1 -15.670986 -7.021494 -12.578407 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=498) -1 27.383300 9.861483 -5.057171 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=498) -1 27.085817 9.999874 -4.135103 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=498) -1 26.781593 9.127151 -5.323276 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=499) -1 5.491540 -15.197896 7.209183 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=499) -1 5.891945 -14.835904 8.035902 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=499) -1 6.309174 -15.581515 6.804143 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=500) -1 11.788733 16.093548 13.702765 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=500) -1 11.279872 15.727442 12.935371 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=500) -1 12.221233 15.258959 14.002712 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=501) -1 -25.813387 20.678626 3.159073 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=501) -1 -25.668130 19.708363 2.994449 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=501) -1 -25.018436 20.853107 3.711101 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=502) -1 27.788176 12.147304 -1.191175 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=502) -1 28.159958 12.610318 -0.408252 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=502) -1 27.520318 12.929393 -1.734865 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=503) -1 4.570704 -0.824350 -7.197965 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=503) -1 4.844970 -0.065211 -6.657623 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=503) -1 4.805866 -1.571791 -6.590532 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=504) -1 -24.638666 16.243840 4.496430 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=504) -1 -24.479888 15.541262 3.809082 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=504) -1 -24.946546 15.645040 5.227356 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=505) -1 25.899364 15.094554 12.981127 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=505) -1 26.123240 14.852864 12.054165 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=505) -1 26.377971 14.373354 13.453944 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=506) -1 -22.186721 9.933177 7.804733 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=506) -1 -21.852128 9.476026 8.617187 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=506) -1 -21.508671 9.609745 7.160883 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=507) -1 14.124135 -18.877894 -9.688209 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=507) -1 15.082903 -18.744727 -9.510021 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=507) -1 13.938357 -18.064628 -10.202256 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=508) -1 -27.607507 0.391677 -7.598650 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=508) -1 -27.543118 -0.585132 -7.409558 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=508) -1 -27.341546 0.385438 -8.539181 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=509) -1 12.839827 -10.547882 6.681052 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=509) -1 13.127022 -10.587642 7.622675 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=509) -1 13.674998 -10.803065 6.238313 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=511) -1 21.806340 11.770080 4.117769 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=511) -1 20.895888 12.017990 4.385124 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=511) -1 22.141713 11.414933 4.974168 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=512) -1 30.999325 4.766089 14.970149 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=512) -1 31.770630 4.399907 14.480720 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=512) -1 30.715883 3.934430 15.442939 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=513) -1 -29.796288 -2.131542 -5.742849 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=513) -1 -29.044912 -2.265628 -6.362633 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=513) -1 -29.701721 -2.953944 -5.200327 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=514) -1 -16.939576 29.606826 2.262865 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=514) -1 -17.816708 29.253021 2.013648 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=514) -1 -16.626344 28.908404 2.869186 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=515) -1 28.888334 -8.606920 -13.008120 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=515) -1 28.648803 -9.423968 -13.480257 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=515) -1 28.048668 -8.110496 -13.067222 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=516) -1 13.993895 10.263030 -15.273877 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=516) -1 14.796421 10.069620 -14.749047 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=516) -1 13.592634 10.975287 -14.742151 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=517) -1 0.635519 11.903606 -1.949438 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=517) -1 -0.050996 11.227947 -2.161945 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=517) -1 0.918133 11.566369 -1.067249 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=518) -1 -6.245993 -7.456950 -12.646888 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=518) -1 -5.718996 -7.386687 -11.821171 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=518) -1 -6.125735 -6.544382 -12.997039 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=519) -1 -3.690800 -19.748295 10.430644 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=519) -1 -3.619216 -18.803978 10.179311 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=519) -1 -4.551485 -19.973961 10.019899 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=520) -1 33.594962 -5.646707 -1.793090 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=520) -1 33.364487 -5.841597 -2.742179 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=520) -1 33.088312 -6.384997 -1.374469 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=521) -1 -21.164482 -21.856231 -0.869803 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=521) -1 -21.726134 -22.644631 -1.068340 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=521) -1 -20.485635 -21.967100 -1.578178 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=522) -1 32.451688 -7.818455 -0.608333 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=522) -1 32.877396 -7.688795 0.274709 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=522) -1 32.785253 -8.697421 -0.840194 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=523) -1 -21.380629 9.029360 -9.331965 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=523) -1 -21.989271 8.274216 -9.522078 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=523) -1 -20.931347 8.678133 -8.532220 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=524) -1 -2.633598 11.199033 -0.424205 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=524) -1 -2.032601 11.925253 -0.154388 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=524) -1 -2.093912 10.781503 -1.133260 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=525) -1 -13.996076 15.698098 0.595681 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=525) -1 -14.733590 15.136038 0.279995 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=525) -1 -14.477316 16.246976 1.260118 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=526) -1 -13.364394 8.477686 1.571412 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=526) -1 -13.777875 9.329449 1.307918 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=526) -1 -13.203080 8.074983 0.699233 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=527) -1 -24.271148 2.423605 8.681935 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=527) -1 -24.910754 1.873022 8.164164 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=527) -1 -23.800995 2.861372 7.938964 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=528) -1 -8.760851 0.084252 22.023369 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=528) -1 -8.449104 -0.538753 21.330017 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=528) -1 -9.250329 0.728767 21.463166 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=529) -1 10.634147 -12.953188 -5.755445 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=529) -1 10.971755 -13.682104 -6.332372 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=529) -1 9.840660 -13.399787 -5.384086 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=530) -1 33.712971 6.683444 13.659469 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=530) -1 33.513127 5.721250 13.584603 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=530) -1 34.250246 6.822343 12.870228 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=531) -1 -9.453460 6.389676 16.663151 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=531) -1 -9.668377 5.587686 16.145205 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=531) -1 -8.536281 6.561839 16.365553 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=532) -1 30.460289 3.196547 7.425525 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=532) -1 30.423482 2.992595 6.461570 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=532) -1 29.905602 4.005930 7.443862 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=533) -1 16.949465 -17.924290 -4.314776 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=533) -1 17.904874 -17.840469 -4.531034 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=533) -1 16.558421 -17.785922 -5.203933 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=534) -1 -8.613743 16.228027 15.873097 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=534) -1 -8.305371 15.288641 15.945335 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=534) -1 -7.839956 16.690561 16.227598 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=535) -1 -18.516379 15.000614 -5.160572 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=535) -1 -18.102184 14.130437 -5.376173 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=535) -1 -17.916706 15.591505 -5.668949 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=536) -1 -9.020726 25.043454 -2.315081 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=536) -1 -8.666229 24.167743 -2.027890 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=536) -1 -8.993731 24.914976 -3.291551 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=537) -1 -17.740983 21.116697 1.529666 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=537) -1 -17.001289 20.624715 1.981411 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=537) -1 -17.502153 20.860758 0.594303 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=538) -1 20.991945 19.784004 -6.909774 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=538) -1 20.668691 19.873172 -5.993471 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=538) -1 20.157774 19.513174 -7.358466 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=539) -1 9.990703 15.687849 -8.767491 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=539) -1 10.627165 16.283284 -8.297368 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=539) -1 10.185901 14.844961 -8.312134 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=540) -1 -26.607685 -22.474481 0.024001 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=540) -1 -25.729122 -22.594385 0.444792 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=540) -1 -26.626579 -23.271673 -0.552179 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=541) -1 5.220486 -12.357837 4.092176 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=541) -1 5.669197 -11.471480 4.055588 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=541) -1 6.046191 -12.918723 4.125984 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=542) -1 -22.881206 19.167181 1.808594 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=542) -1 -23.743841 18.735607 2.001740 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=542) -1 -22.375388 18.377473 1.494952 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=543) -1 0.500587 -5.448630 16.712127 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=543) -1 0.359353 -6.011312 17.500758 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=543) -1 1.428817 -5.159246 16.865875 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=544) -1 17.250550 -5.891768 14.877555 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=544) -1 17.321082 -6.737043 15.350849 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=544) -1 18.161230 -5.840976 14.487503 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=545) -1 15.979774 -16.475548 -11.510107 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=545) -1 16.297901 -16.962357 -10.719614 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=545) -1 15.068709 -16.257025 -11.220845 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=546) -1 16.267179 -17.201042 5.815123 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=546) -1 16.574657 -17.847474 5.166786 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=546) -1 15.490751 -16.817546 5.344471 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=547) -1 9.939069 -0.684632 -11.028977 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=547) -1 10.795321 -0.655884 -10.578957 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=547) -1 9.522364 -1.460187 -10.583981 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=548) -1 -16.413931 -17.005232 7.544220 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=548) -1 -16.117895 -16.311826 6.908563 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=548) -1 -17.390393 -16.911845 7.434492 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=549) -1 29.275699 7.859255 6.457065 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=549) -1 29.975986 8.231587 7.057596 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=549) -1 29.856149 7.611090 5.698038 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=550) -1 23.766034 9.107367 -3.758718 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=550) -1 23.266877 9.328462 -4.592960 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=550) -1 24.096201 10.028143 -3.569649 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=551) -1 23.521445 -13.765766 3.540243 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=551) -1 23.231011 -14.515334 4.103036 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=551) -1 22.928120 -13.903831 2.764442 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=552) -1 30.145720 7.785142 -12.591199 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=552) -1 30.020439 6.904822 -12.193929 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=552) -1 29.366473 7.829681 -13.183577 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=553) -1 33.020868 4.106689 13.173050 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=553) -1 33.509677 3.311930 12.840809 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=553) -1 32.392280 4.204081 12.406457 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=554) -1 -25.172604 14.306162 6.295944 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=554) -1 -25.256399 13.638609 5.566105 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=554) -1 -25.265922 13.666445 7.058987 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=555) -1 -18.979784 27.661730 -7.264918 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=555) -1 -19.724786 27.231209 -7.749073 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=555) -1 -19.420450 28.476078 -6.952515 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=556) -1 0.424779 2.049423 -11.556821 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=556) -1 1.203010 2.637464 -11.697789 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=556) -1 0.900694 1.222193 -11.303254 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=557) -1 -9.767563 20.975698 7.373759 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=557) -1 -10.592767 21.067384 7.904595 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=557) -1 -9.157644 20.636384 8.044138 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=558) -1 -16.347527 19.128392 -12.564694 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=558) -1 -15.618399 18.494343 -12.781947 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=558) -1 -17.033183 18.460891 -12.292858 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=559) -1 14.192595 -2.601774 14.102659 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=559) -1 14.262841 -2.465352 13.133634 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=559) -1 14.027119 -1.673699 14.389213 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=560) -1 -13.624820 32.166547 -7.166737 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=560) -1 -14.039462 32.316182 -6.292986 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=560) -1 -13.222423 31.283912 -7.015879 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=561) -1 -11.588024 -14.225737 18.829789 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=561) -1 -11.277547 -14.960065 18.246034 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=561) -1 -11.200965 -13.458979 18.347236 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=562) -1 24.932020 11.191841 14.290949 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=562) -1 24.254809 10.713186 14.786445 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=562) -1 24.398882 11.571304 13.556153 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=563) -1 -14.572205 31.805376 -12.240844 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=563) -1 -15.287595 31.204558 -12.586697 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=563) -1 -14.806829 32.623359 -12.705038 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=564) -1 17.340042 4.323651 11.959462 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=564) -1 18.186305 4.811201 12.051750 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=564) -1 17.687867 3.401998 11.934435 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=565) -1 -10.201862 26.134633 -14.275633 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=565) -1 -10.257154 27.120708 -14.186452 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=565) -1 -9.376281 25.980100 -13.761233 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=566) -1 -16.151686 0.769972 -14.898622 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=566) -1 -16.342014 0.935152 -15.855024 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=566) -1 -17.053463 0.988866 -14.538445 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=567) -1 -8.840742 1.236790 -14.448351 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=567) -1 -9.719011 1.467946 -14.820486 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=567) -1 -8.875694 0.252883 -14.583062 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=568) -1 14.990303 20.728822 -1.597792 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=568) -1 15.803166 20.747401 -2.156197 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=568) -1 14.480946 20.040541 -2.077920 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=569) -1 26.803842 -8.656364 -18.955494 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=569) -1 26.299402 -7.820365 -18.853870 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=569) -1 26.474902 -9.150719 -18.176392 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=570) -1 8.255874 -5.552065 -12.591161 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=570) -1 7.621643 -6.288345 -12.392765 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=570) -1 8.745132 -5.554990 -11.731217 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=571) -1 -22.248699 -5.000965 6.721140 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=571) -1 -22.756266 -5.828170 6.813425 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=571) -1 -21.791760 -5.001726 7.610352 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=572) -1 17.201129 -2.179943 -17.841717 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=572) -1 17.869554 -1.537959 -18.172040 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=572) -1 17.749512 -2.980946 -17.750113 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=573) -1 -27.936124 20.154210 1.392686 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=573) -1 -28.501113 20.943788 1.540692 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=573) -1 -27.317076 20.240522 2.147264 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=574) -1 16.701336 -14.783045 10.254164 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=574) -1 16.730916 -15.168095 9.350795 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=574) -1 17.658218 -14.651888 10.412852 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=575) -1 27.267634 13.938397 -3.105538 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=575) -1 26.536015 13.960103 -3.760068 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=575) -1 28.023297 13.753897 -3.710183 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=576) -1 -19.491278 24.115868 -15.355687 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=576) -1 -18.656918 23.588953 -15.275198 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=576) -1 -20.018260 23.686117 -14.653704 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=577) -1 -19.989627 26.649832 -2.638030 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=577) -1 -19.677402 26.347691 -3.531936 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=577) -1 -20.194133 27.595180 -2.887991 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=578) -1 -25.298496 -5.560230 -11.611669 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=578) -1 -24.446583 -5.904025 -11.955639 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=578) -1 -25.667305 -6.393679 -11.224678 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=579) -1 -23.801418 -3.493003 -13.588327 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=579) -1 -24.676933 -3.238866 -13.208751 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=579) -1 -23.637737 -4.316892 -13.079524 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=580) -1 -16.686184 11.086360 4.244668 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=580) -1 -16.010046 11.203212 4.954628 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=580) -1 -16.204374 11.524439 3.502560 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=581) -1 3.822597 -14.495887 5.260787 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=581) -1 4.442628 -14.804832 5.975997 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=581) -1 4.432922 -13.872713 4.801148 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=582) -1 -13.926965 30.990569 -9.703044 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=582) -1 -14.145371 31.494519 -10.515161 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=582) -1 -13.738259 31.719840 -9.078266 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=583) -1 18.602857 18.586022 -7.537413 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=583) -1 17.653947 18.310183 -7.554513 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=583) -1 19.022326 17.689260 -7.486007 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=584) -1 4.683980 -9.793165 -0.844389 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=584) -1 5.379302 -9.711959 -0.143933 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=584) -1 4.810557 -8.918433 -1.286913 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=585) -1 -16.729763 11.111205 0.049154 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=585) -1 -15.781979 10.959844 0.298279 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=585) -1 -17.151204 10.451426 0.652653 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=586) -1 6.085856 -7.501185 3.053704 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=586) -1 6.108826 -7.064836 3.927471 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=586) -1 6.347431 -6.743468 2.476892 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=587) -1 -8.215356 -19.820911 7.326190 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=587) -1 -7.984636 -18.840282 7.302648 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=587) -1 -7.593965 -20.068281 8.059449 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=588) -1 -12.874320 28.632342 -10.436707 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=588) -1 -12.470574 28.294774 -9.607385 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=588) -1 -13.234792 29.492348 -10.099308 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=589) -1 10.660702 6.921654 -17.524432 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=589) -1 11.339530 6.633065 -18.176322 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=589) -1 11.234780 7.475935 -16.939399 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=590) -1 26.424717 10.236917 -2.502703 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=590) -1 26.917103 10.895285 -1.944733 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=590) -1 25.676580 10.824992 -2.783254 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=591) -1 7.769371 3.731414 -14.473545 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=591) -1 7.837204 2.793436 -14.761269 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=591) -1 8.193812 4.173693 -15.242182 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=592) -1 -10.398676 -12.087612 17.637706 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=592) -1 -9.953510 -11.488486 18.276615 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=592) -1 -10.931049 -11.418044 17.138056 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=593) -1 32.374878 5.151323 -3.371237 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=593) -1 31.481453 5.376392 -3.739489 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=593) -1 32.926928 5.301869 -4.151698 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=594) -1 29.466165 0.315048 -7.774658 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=594) -1 30.062828 -0.254540 -8.276595 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=594) -1 28.591425 -0.053617 -8.026774 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=595) -1 27.065516 12.808489 13.914101 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=595) -1 26.327472 12.258941 14.274013 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=595) -1 27.826220 12.230910 14.175870 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=596) -1 -23.283646 4.501174 -11.687336 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=596) -1 -23.971394 4.550085 -10.985644 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=596) -1 -22.928329 3.599883 -11.509129 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=597) -1 27.469824 10.450748 -8.845465 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=597) -1 28.298209 10.359815 -9.373862 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=597) -1 26.809850 10.439744 -9.571529 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=598) -1 -8.897825 12.032978 2.166124 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=598) -1 -9.064227 11.065964 2.080078 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=598) -1 -9.593818 12.239805 2.849962 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=599) -1 18.906066 13.801552 13.515603 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=599) -1 18.063607 13.883952 14.002723 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=599) -1 19.345211 14.644671 13.764421 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=600) -1 7.069679 -9.400216 9.672711 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=600) -1 7.854126 -9.044877 10.115863 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=600) -1 7.245815 -9.121161 8.742891 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=601) -1 6.650116 -14.001939 9.361882 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=601) -1 7.587072 -14.000932 9.054938 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=601) -1 6.776594 -13.772263 10.304572 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=602) -1 -7.212787 -14.576846 19.606892 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=602) -1 -7.408091 -15.142210 18.830242 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=602) -1 -8.065934 -14.655337 20.092622 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=603) -1 1.621412 -13.468229 1.173585 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=603) -1 1.144516 -14.257706 1.518815 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=603) -1 2.005511 -13.125240 2.009214 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=604) -1 -8.800347 -15.803622 -3.903686 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=604) -1 -9.189983 -16.205670 -4.717569 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=604) -1 -8.909364 -14.844256 -4.156790 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=605) -1 -7.623369 13.221614 6.065917 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=605) -1 -8.419126 13.793730 6.006782 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=605) -1 -7.317337 13.270317 5.130737 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=606) -1 11.308770 -10.418878 -6.109938 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=606) -1 11.219178 -10.181782 -5.163505 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=606) -1 11.022156 -11.369647 -6.058813 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=607) -1 -12.108344 7.280428 -9.998875 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=607) -1 -12.589369 7.607077 -9.204004 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=607) -1 -11.692312 6.473213 -9.607312 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=608) -1 -26.676045 21.021768 -0.868334 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=608) -1 -27.103065 20.545190 -0.116315 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=608) -1 -27.395675 21.669124 -1.066129 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=609) -1 13.545834 19.473538 3.103655 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=609) -1 13.595984 20.325610 3.605367 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=609) -1 13.976627 19.767628 2.263918 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=610) -1 -2.018037 -14.431639 6.887065 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=610) -1 -2.766289 -13.862728 6.615443 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=610) -1 -1.619699 -14.645569 6.022995 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=611) -1 -3.284827 13.411018 5.490251 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=611) -1 -2.545028 13.326570 6.130446 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=611) -1 -2.780499 13.494449 4.652274 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=612) -1 -16.616330 27.554232 -8.650900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=612) -1 -17.488632 27.524543 -8.194195 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=612) -1 -16.310434 28.443817 -8.354785 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=613) -1 25.410950 12.075360 6.089577 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=613) -1 25.688597 11.229410 5.641680 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=613) -1 25.755296 12.719224 5.452832 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=614) -1 12.803266 18.063879 6.659276 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=614) -1 13.783018 18.042375 6.746758 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=614) -1 12.604347 18.928239 7.049326 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=615) -1 -19.969713 14.019711 -8.413025 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=615) -1 -20.450427 13.208437 -8.719253 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=615) -1 -20.348351 14.079931 -7.504257 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=616) -1 -13.651118 11.860569 -3.173102 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=616) -1 -12.985332 11.139398 -3.218332 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=616) -1 -13.642556 12.042595 -2.203369 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=617) -1 31.514392 4.118027 10.978676 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=617) -1 31.367632 4.882346 10.366241 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=617) -1 31.843814 3.457561 10.326643 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=618) -1 -15.741111 -19.643623 -14.039128 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=618) -1 -15.021533 -20.284598 -13.897856 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=618) -1 -16.176987 -19.674739 -13.155950 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=619) -1 -9.278923 4.839123 11.413653 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=619) -1 -9.400981 5.790729 11.674029 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=619) -1 -8.777592 4.526436 12.198714 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=620) -1 -17.224904 22.615258 -15.096873 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=620) -1 -16.783230 23.081042 -15.846327 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=620) -1 -16.486544 22.020039 -14.824090 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=621) -1 -18.582693 -7.616997 -11.474082 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=621) -1 -17.666522 -7.729701 -11.847572 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=621) -1 -18.682066 -6.646114 -11.640262 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=622) -1 -19.021961 22.287658 -13.023434 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=622) -1 -18.442495 21.889161 -12.333714 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=622) -1 -18.394754 22.288510 -13.780406 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=623) -1 12.096927 -18.340396 -7.946867 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=623) -1 12.725008 -18.846306 -8.522258 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=623) -1 12.667656 -17.538036 -7.795316 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=624) -1 -13.272122 16.258448 7.954794 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=624) -1 -14.104770 16.247512 7.421148 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=624) -1 -13.458450 17.052999 8.510084 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=625) -1 31.424038 7.455939 14.903201 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=625) -1 32.322210 7.360713 14.500040 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=625) -1 31.257307 6.504910 15.116556 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=626) -1 8.813572 -8.672916 4.801881 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=626) -1 9.787433 -8.767649 4.947431 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=626) -1 8.823947 -7.776145 4.370579 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=627) -1 10.577619 14.665917 11.741476 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=627) -1 10.631660 14.420447 10.796209 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=627) -1 10.459602 13.781366 12.150308 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=628) -1 11.482389 -8.700460 5.233744 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=628) -1 11.768149 -9.009765 4.346142 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=628) -1 11.960717 -9.349039 5.800654 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=629) -1 -3.866618 6.463520 8.675581 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=629) -1 -3.069240 6.424374 9.225932 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=629) -1 -4.222207 7.347255 8.937442 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=630) -1 23.774959 -13.297122 -4.696715 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=630) -1 24.175553 -13.071388 -5.582374 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=630) -1 23.285614 -14.115743 -4.981384 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=631) -1 4.669494 4.707186 8.733142 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=631) -1 3.879870 4.238146 8.414206 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=631) -1 5.037337 5.051249 7.892203 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=632) -1 -10.964945 9.355960 -6.315047 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=632) -1 -10.044535 9.667949 -6.497698 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=632) -1 -10.838489 8.394839 -6.527925 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=633) -1 -19.062270 24.038430 -9.261843 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=633) -1 -18.786458 24.248611 -10.170754 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=633) -1 -19.240213 23.075847 -9.345251 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=634) -1 27.827786 -5.103545 10.909555 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=634) -1 28.610046 -4.846019 11.465658 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=634) -1 27.847470 -4.355487 10.272123 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=635) -1 -20.166326 23.682647 4.789941 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=635) -1 -20.190184 23.476016 5.763565 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=635) -1 -20.180191 24.654820 4.833433 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=636) -1 16.906741 -18.694685 -1.766253 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=636) -1 16.802979 -18.447769 -2.726641 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=636) -1 17.887742 -18.811891 -1.756300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=637) -1 -20.403288 -13.612330 -13.972314 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=637) -1 -20.142930 -14.521843 -14.276190 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=637) -1 -19.532709 -13.160256 -14.157976 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=638) -1 -24.739355 -18.538382 1.392052 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=638) -1 -24.309158 -19.269081 0.894910 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=638) -1 -24.113092 -18.453020 2.141374 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=639) -1 32.714131 -6.371261 -4.212108 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=639) -1 32.819053 -6.411523 -5.173208 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=639) -1 31.930640 -6.970413 -4.097942 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=640) -1 -20.619610 3.709050 10.385453 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=640) -1 -21.499033 3.315521 10.645381 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=640) -1 -20.607578 3.421445 9.442542 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=641) -1 -16.025330 24.146929 -2.294674 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=641) -1 -16.725809 24.707440 -1.893146 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=641) -1 -15.801300 23.566222 -1.556460 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=642) -1 -24.042294 -23.008233 0.862578 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=642) -1 -23.628035 -23.416627 0.061973 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=642) -1 -23.758836 -23.633032 1.545531 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=643) -1 23.605114 11.460660 -13.283003 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=643) -1 23.595886 10.527061 -12.984614 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=643) -1 23.895313 11.903135 -12.455645 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=644) -1 -20.092762 8.460886 -6.986685 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=644) -1 -20.437619 9.018035 -6.247593 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=644) -1 -20.225057 7.569207 -6.579087 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=645) -1 -19.512545 21.290886 -9.658809 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=645) -1 -18.620014 21.277258 -10.099682 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=645) -1 -19.718833 20.317434 -9.777723 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=646) -1 -18.279091 -6.817674 13.445000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=646) -1 -17.786759 -7.562200 13.055292 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=646) -1 -17.637069 -6.081737 13.304929 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=647) -1 -15.567954 30.761033 0.186798 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=647) -1 -14.852151 30.101332 0.338744 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=647) -1 -16.147019 30.534916 0.957103 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=648) -1 15.991667 15.305284 -3.254513 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=648) -1 16.192460 16.180078 -2.846060 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=648) -1 16.721038 14.773763 -2.868993 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=649) -1 -18.030642 9.224927 1.434682 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=649) -1 -18.284012 9.247755 2.388614 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=649) -1 -18.926163 9.169178 1.031233 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=650) -1 -18.558367 29.442181 -14.709588 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=650) -1 -18.759342 28.480869 -14.779808 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=650) -1 -19.181205 29.809737 -15.348562 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=651) -1 18.882846 2.050410 11.941844 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=651) -1 19.278048 2.043410 12.853411 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=651) -1 18.940792 1.095072 11.737644 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=652) -1 -1.685471 -17.688233 6.232572 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=652) -1 -2.136851 -18.531840 6.376374 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=652) -1 -1.573872 -17.370731 7.153027 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=653) -1 14.084750 -16.180937 4.591245 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=653) -1 13.994169 -15.211474 4.801612 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=653) -1 13.710889 -16.156293 3.673428 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=654) -1 11.521089 3.326542 8.674844 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=654) -1 12.035202 2.922181 9.406925 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=654) -1 11.479622 2.561602 8.057412 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=655) -1 22.340940 -10.535483 -3.244588 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=655) -1 21.803819 -10.884680 -4.003002 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=655) -1 22.503367 -9.627425 -3.592892 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=656) -1 -9.563450 28.117309 -8.358009 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=656) -1 -10.515971 27.931821 -8.248066 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=656) -1 -9.421998 27.780104 -9.269239 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=657) -1 18.154298 13.870041 -2.137857 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=657) -1 17.795981 13.073006 -2.599197 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=657) -1 18.724947 13.426316 -1.472287 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=658) -1 -25.489367 -17.723065 -8.249401 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=658) -1 -25.404440 -17.009564 -8.938549 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=658) -1 -24.629844 -17.609982 -7.798511 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=659) -1 0.993442 11.115603 7.199064 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=659) -1 1.776638 11.557379 7.569001 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=659) -1 1.265957 10.166934 7.328112 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=660) -1 -13.176711 11.609201 -12.090760 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=660) -1 -13.725382 10.883570 -12.499360 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=660) -1 -12.831292 11.092326 -11.315403 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=661) -1 30.865066 0.063145 17.056148 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=661) -1 31.315773 -0.476487 16.366065 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=661) -1 30.126834 -0.546527 17.275581 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=662) -1 24.242789 -11.808812 -15.599971 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=662) -1 24.637489 -12.587383 -15.157723 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=662) -1 23.404610 -11.727159 -15.085186 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=663) -1 -12.465976 14.023840 -8.253976 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=663) -1 -13.452486 13.956666 -8.305427 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=663) -1 -12.266703 13.069500 -8.062509 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=664) -1 29.908389 5.548981 -4.279085 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=664) -1 29.662553 4.635699 -4.021563 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=664) -1 29.294222 5.689357 -5.033200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=665) -1 -8.469459 -20.621829 2.332121 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=665) -1 -8.025221 -20.635405 3.223010 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=665) -1 -9.115174 -21.355552 2.490393 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=666) -1 25.881090 -5.975418 12.529685 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=666) -1 26.318468 -5.655339 13.335888 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=666) -1 26.571046 -5.729126 11.857478 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=667) -1 10.807290 -16.329023 -9.361732 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=667) -1 11.165623 -15.733327 -8.661262 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=667) -1 11.113120 -17.193398 -9.015425 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=668) -1 -25.260042 12.239097 4.472984 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=668) -1 -24.781760 11.573380 5.034293 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=668) -1 -25.988118 11.680328 4.148950 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=669) -1 -13.557805 3.858474 -9.945367 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=669) -1 -13.790109 2.998789 -10.345147 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=669) -1 -14.244492 4.430253 -10.362047 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=670) -1 12.634053 14.720734 0.683193 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=670) -1 13.477171 14.341527 0.982144 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=670) -1 12.267018 15.049642 1.534332 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=671) -1 13.969438 -16.272645 -2.818328 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=671) -1 14.096020 -16.934977 -3.540191 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=671) -1 12.982908 -16.239377 -2.818315 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=672) -1 -6.045121 -19.822644 -2.154964 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=672) -1 -6.284187 -19.561891 -1.244451 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=672) -1 -6.163880 -18.975742 -2.628835 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=673) -1 -15.024783 -23.015847 0.787836 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=673) -1 -14.043343 -22.949289 0.909687 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=673) -1 -15.297672 -22.489815 1.589065 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=674) -1 -12.978324 26.076041 -14.480277 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=674) -1 -11.997074 26.105295 -14.425123 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=674) -1 -13.087678 25.468786 -15.245368 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=675) -1 0.243335 -12.080978 -5.270424 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=675) -1 0.816144 -12.878850 -5.190716 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=675) -1 -0.633404 -12.507106 -5.089575 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=676) -1 -11.769082 13.701127 -3.857940 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=676) -1 -12.311561 14.496821 -4.028487 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=676) -1 -12.468759 13.037566 -3.689600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=677) -1 10.914148 -18.012340 2.975282 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=677) -1 10.345660 -17.770186 2.209918 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=677) -1 11.690732 -18.372706 2.505763 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=678) -1 -16.368144 26.628924 -15.834156 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=678) -1 -15.822308 27.244579 -15.302294 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=678) -1 -17.264000 26.868578 -15.528318 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=679) -1 -7.898589 4.717023 18.268565 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=679) -1 -8.507040 5.458618 18.061009 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=679) -1 -8.542752 3.965983 18.221248 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=680) -1 -15.327792 16.351709 -4.266788 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=680) -1 -15.510315 15.675274 -4.962563 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=680) -1 -14.362637 16.224840 -4.166326 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=681) -1 -11.275454 16.754647 15.678433 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=681) -1 -10.322723 16.680006 15.911995 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=681) -1 -11.634398 15.989047 16.170363 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=682) -1 20.945103 15.314310 -9.443019 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=682) -1 20.489857 15.731557 -8.676961 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=682) -1 20.216302 14.807768 -9.836161 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=683) -1 -8.420968 -13.091369 -13.560032 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=683) -1 -9.090168 -12.404739 -13.745277 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=683) -1 -8.940150 -13.707096 -13.000323 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=684) -1 11.360990 -9.416352 -8.571358 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=684) -1 11.661593 -10.232591 -9.001292 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=684) -1 11.325648 -9.729088 -7.626520 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=685) -1 -22.154735 13.481078 10.359099 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=685) -1 -21.949109 13.763586 9.441540 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=685) -1 -22.707516 12.686172 10.164330 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=686) -1 -22.843942 0.451422 -12.972138 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=686) -1 -23.347981 -0.046643 -12.274571 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=686) -1 -22.493098 1.178233 -12.400035 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=687) -1 19.038208 19.085244 -4.886570 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=687) -1 18.693791 19.035004 -5.808500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=687) -1 19.408218 18.165039 -4.819175 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=688) -1 -5.273272 12.151922 6.931994 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=688) -1 -4.741219 12.800295 6.416322 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=688) -1 -6.176487 12.512031 6.756661 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=689) -1 19.641968 -17.671305 -4.129731 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=689) -1 19.686076 -18.257722 -3.346818 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=689) -1 20.082625 -16.870497 -3.765308 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=690) -1 -29.645395 -23.710870 -7.802910 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=690) -1 -29.255415 -23.591535 -8.677430 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=690) -1 -29.952178 -22.800594 -7.600204 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=691) -1 10.035988 -0.996136 10.734829 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=691) -1 9.953019 -1.881030 11.124167 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=691) -1 9.349238 -1.063141 10.018009 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=692) -1 10.574923 12.224714 12.996756 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=692) -1 10.394450 11.580002 13.728204 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=692) -1 10.716739 11.569774 12.263944 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=693) -1 21.147077 -7.843104 -15.084745 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=693) -1 21.680800 -7.344487 -14.414077 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=693) -1 21.044450 -8.690827 -14.567255 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=694) -1 31.995892 6.847873 -1.288537 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=694) -1 32.197753 6.219051 -2.015192 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=694) -1 32.243083 6.287625 -0.512199 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=695) -1 18.169861 -11.927660 10.834243 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=695) -1 18.647527 -12.765468 10.634853 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=695) -1 18.696165 -11.304514 10.289806 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=696) -1 -5.124970 8.719304 9.457410 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=696) -1 -5.701238 8.666065 8.655193 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=696) -1 -5.803259 8.531899 10.148244 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=697) -1 -3.185811 7.550385 -7.012086 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=697) -1 -2.277918 7.196585 -7.203449 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=697) -1 -3.715836 6.827052 -7.426102 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=698) -1 -19.166027 24.114081 -6.547224 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=698) -1 -19.591873 23.221580 -6.542253 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=698) -1 -19.006651 24.197159 -7.517412 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=699) -1 18.681068 -7.383939 -16.220975 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=699) -1 18.339355 -8.306443 -16.162377 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=699) -1 19.597182 -7.534829 -15.882183 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=700) -1 34.230261 10.502981 -1.872074 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=700) -1 35.135668 10.223119 -1.686869 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=700) -1 33.732274 9.977197 -1.203139 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=701) -1 -30.152595 -18.928911 -0.107029 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=701) -1 -29.443223 -19.535081 -0.429242 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=701) -1 -29.880362 -18.803458 0.811019 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=703) -1 -1.939923 0.860169 -11.172440 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=703) -1 -1.067999 1.310418 -11.330107 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=703) -1 -1.618897 -0.076417 -11.173576 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=704) -1 9.895492 12.842840 -13.403003 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=704) -1 9.887433 13.534355 -12.705826 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=704) -1 8.954824 12.658113 -13.501645 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=705) -1 15.455095 -17.467576 -6.595002 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=705) -1 14.808263 -16.907011 -7.094931 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=705) -1 14.823183 -17.858989 -5.938435 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=706) -1 -14.266784 14.195912 4.733247 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=706) -1 -14.509998 13.822331 3.849951 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=706) -1 -14.463050 13.389879 5.281778 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=707) -1 -11.793337 15.283821 -10.538994 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=707) -1 -11.954313 14.819798 -9.677710 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=707) -1 -11.129091 15.944927 -10.231086 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=708) -1 7.363942 -13.870598 4.410279 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=708) -1 7.442168 -14.625668 5.036952 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=708) -1 8.314865 -13.735639 4.202074 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=709) -1 18.112948 12.455812 11.276235 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=709) -1 18.372042 13.037087 12.030674 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=709) -1 18.443519 13.026388 10.531083 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=710) -1 -31.728635 -19.748943 -3.670739 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=710) -1 -32.206192 -20.468101 -4.124051 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=710) -1 -31.202385 -19.389190 -4.422751 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=711) -1 -7.887041 26.931672 -6.638262 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=711) -1 -7.412603 27.649360 -6.189618 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=711) -1 -8.533713 27.458238 -7.174048 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=712) -1 9.175051 -3.561466 3.012673 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=712) -1 9.440797 -2.635056 3.234585 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=712) -1 8.336380 -3.382527 2.540601 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=713) -1 0.136831 8.504997 -4.520670 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=713) -1 0.745920 8.493270 -3.739411 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=713) -1 0.471829 7.686800 -4.972001 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=715) -1 36.830808 -2.421046 4.827863 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=715) -1 36.323599 -2.485911 5.668723 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=715) -1 36.569216 -1.509832 4.553597 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=716) -1 16.653745 -5.754968 -15.442943 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=716) -1 17.280957 -6.448696 -15.772296 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=716) -1 16.618216 -6.036919 -14.492532 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=717) -1 -29.019331 22.685021 1.501849 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=717) -1 -29.481025 23.323469 2.064026 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=717) -1 -28.079125 22.946182 1.668141 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=718) -1 29.514727 2.945096 -3.403525 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=718) -1 28.577413 2.888763 -3.106875 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=718) -1 29.411863 2.594556 -4.325166 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=719) -1 -25.052660 -5.855821 -4.057859 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=719) -1 -24.665229 -5.874161 -4.970076 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=719) -1 -24.350599 -5.289499 -3.631436 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=720) -1 -7.105251 7.712700 11.104280 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=720) -1 -8.030552 7.565091 11.434427 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=720) -1 -6.906138 6.808087 10.783832 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=721) -1 31.392034 8.444277 7.983783 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=721) -1 31.474103 7.640732 8.532736 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=721) -1 32.175491 8.341048 7.397542 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=722) -1 29.407490 7.064807 11.437253 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=722) -1 29.564810 7.848473 11.999225 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=722) -1 29.141889 6.416703 12.132705 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=723) -1 -28.691797 -18.852159 -13.293888 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=723) -1 -29.188939 -18.015248 -13.177917 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=723) -1 -28.066835 -18.570031 -14.006331 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=724) -1 -18.732307 16.313343 -9.220056 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=724) -1 -18.199628 16.411542 -8.396839 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=724) -1 -19.215213 15.480092 -8.995343 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=725) -1 -8.305969 12.385821 13.467254 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=725) -1 -9.002213 11.856991 13.935740 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=725) -1 -7.793738 11.629107 13.074083 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=726) -1 -19.213803 16.559033 1.925147 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=726) -1 -18.769013 16.103526 1.168889 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=726) -1 -18.515897 16.440300 2.609466 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=727) -1 -18.490039 14.092439 12.338111 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=727) -1 -19.402298 13.734191 12.471190 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=727) -1 -17.991643 13.416155 12.867745 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=728) -1 -10.687075 12.551195 4.023409 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=728) -1 -10.407468 13.327608 4.555813 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=728) -1 -11.344681 12.149352 4.624935 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=729) -1 -11.629167 8.750160 6.685251 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=729) -1 -11.590804 8.543547 5.729745 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=729) -1 -11.308166 7.892882 7.052764 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=730) -1 -12.464023 19.441347 10.971033 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=730) -1 -13.125432 18.922593 10.459157 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=730) -1 -12.577436 19.074341 11.855383 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=731) -1 -10.313320 6.818586 -6.891149 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=731) -1 -9.439808 6.957468 -7.331229 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=731) -1 -10.657893 6.086240 -7.452031 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=732) -1 -12.184447 -21.515722 4.994234 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=732) -1 -13.128806 -21.544657 5.267904 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=732) -1 -11.745119 -21.563189 5.869464 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=733) -1 -3.224464 -2.781728 20.502633 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=733) -1 -3.554501 -2.242690 21.259218 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=733) -1 -3.399684 -2.153573 19.766795 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=734) -1 2.249541 12.029117 -4.078716 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=734) -1 1.690448 12.128439 -3.267379 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=734) -1 1.561210 12.009426 -4.761309 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=735) -1 -14.684400 31.642546 -4.518790 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=735) -1 -13.932317 31.096391 -4.187294 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=735) -1 -14.979355 32.023482 -3.650014 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=736) -1 30.343313 4.213542 0.214178 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=736) -1 31.160285 4.741674 0.428225 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=736) -1 30.726820 3.655702 -0.507622 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=737) -1 -5.614079 -18.852844 13.334935 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=737) -1 -5.349628 -17.993582 12.912328 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=737) -1 -6.308054 -19.123120 12.688065 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=738) -1 7.593213 -8.383762 7.201380 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=738) -1 6.877182 -7.921425 6.698123 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=738) -1 8.143282 -8.671695 6.428309 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=739) -1 -24.312120 10.299667 6.141682 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=739) -1 -24.370321 9.369525 5.797722 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=739) -1 -23.505156 10.187982 6.706424 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=740) -1 -10.396636 26.513752 -0.425416 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=740) -1 -9.522140 26.718214 -0.015586 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=740) -1 -10.081587 25.953102 -1.177767 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=741) -1 -0.942602 -17.445698 -6.573542 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=741) -1 -0.557540 -18.222432 -7.003545 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=741) -1 -1.879976 -17.514443 -6.871774 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=742) -1 7.950647 1.967676 12.965150 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=742) -1 7.086609 1.557893 12.808070 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=742) -1 7.773492 2.885298 12.634701 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=743) -1 28.974820 10.981383 14.359793 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=743) -1 29.847179 11.044736 14.776058 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=743) -1 28.916124 10.001357 14.226586 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=744) -1 -9.639983 2.792575 17.714279 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=744) -1 -9.943425 3.137484 16.848734 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=744) -1 -9.584368 1.831849 17.511143 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=745) -1 1.077645 -5.479286 -7.754954 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=745) -1 1.146256 -4.712370 -7.126336 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=745) -1 2.038812 -5.534961 -8.009670 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=746) -1 19.667864 -14.468204 7.083371 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=746) -1 19.669054 -14.407639 6.094088 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=746) -1 20.619010 -14.215086 7.233927 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=747) -1 33.537112 -0.704220 5.445987 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=747) -1 34.252455 -0.470524 4.808239 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=747) -1 33.584625 0.086865 6.032763 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=748) -1 -20.339777 21.732372 -7.018163 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=748) -1 -21.278215 22.013450 -7.126034 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=748) -1 -20.132755 21.465880 -7.937030 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=749) -1 -11.003387 23.579228 -14.572422 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=749) -1 -10.255010 23.098360 -14.158764 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=749) -1 -10.637517 24.492764 -14.573743 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=750) -1 -9.745385 -2.428524 22.905306 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=750) -1 -9.331751 -1.558641 22.738052 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=750) -1 -10.594448 -2.173557 23.283672 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=751) -1 -29.153890 -12.425417 -8.217688 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=751) -1 -28.649274 -11.574277 -8.253018 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=751) -1 -28.975963 -12.750004 -9.128389 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=752) -1 -27.448602 -6.288772 -5.532773 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=752) -1 -26.685534 -6.325114 -4.916082 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=752) -1 -27.206667 -5.469362 -6.034808 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=753) -1 11.925602 1.949182 14.302849 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=753) -1 11.478240 1.637002 13.474059 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=753) -1 11.119034 2.222703 14.805535 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=754) -1 -1.535944 -2.044546 13.972747 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=754) -1 -1.829960 -1.820836 14.893765 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=754) -1 -0.867635 -2.741369 14.197515 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=755) -1 28.684043 5.556606 -11.467916 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=755) -1 28.126391 6.323074 -11.222514 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=755) -1 28.225350 5.266035 -12.290111 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=756) -1 -0.713007 12.918509 0.649709 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=756) -1 -0.313244 13.505064 -0.014580 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=756) -1 -0.012456 12.222403 0.708906 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=757) -1 28.067197 -7.475338 -2.943589 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=757) -1 28.310800 -8.161301 -2.275966 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=757) -1 27.494768 -8.034244 -3.527902 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=758) -1 -11.316187 -22.509351 -6.936419 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=758) -1 -11.341192 -23.367662 -6.449342 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=758) -1 -12.040638 -22.635658 -7.564491 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=759) -1 -8.732488 -10.364894 19.218380 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=759) -1 -8.016771 -11.045132 19.159835 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=759) -1 -8.303088 -9.756900 19.873023 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=760) -1 3.102691 0.670463 -12.921033 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=760) -1 2.544922 0.159581 -12.295111 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=760) -1 2.983875 1.574356 -12.554792 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=761) -1 14.052680 21.658856 4.610286 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=761) -1 14.666965 22.336541 4.260376 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=761) -1 14.632531 21.239551 5.284668 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=762) -1 22.064273 -13.232660 -2.543694 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=762) -1 22.730603 -13.338401 -3.266403 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=762) -1 22.031941 -12.252516 -2.504160 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=763) -1 -17.286895 16.058865 3.841478 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=763) -1 -17.628874 16.405544 4.698836 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=763) -1 -17.258000 15.093079 4.083404 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=764) -1 9.705215 -16.940180 0.736012 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=764) -1 10.048824 -16.079831 1.090092 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=764) -1 8.850035 -16.601354 0.361682 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=765) -1 -6.797832 6.921109 16.106409 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=765) -1 -6.063173 6.997927 16.767259 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=765) -1 -6.598992 6.013649 15.771476 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=766) -1 -14.702327 28.067742 -14.139655 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=766) -1 -14.101382 27.286490 -14.283999 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=766) -1 -14.020321 28.705185 -13.812730 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=767) -1 13.751491 5.261330 -21.481068 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=767) -1 13.543643 5.902279 -20.774154 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=767) -1 13.220714 4.491477 -21.177548 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=768) -1 -7.567313 9.317594 15.216989 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=768) -1 -8.536596 9.147478 15.293879 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=768) -1 -7.234087 8.429754 15.504044 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=769) -1 -8.863567 19.210125 -5.242574 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=769) -1 -9.179236 18.729661 -6.038441 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=769) -1 -9.326278 18.686570 -4.544806 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=770) -1 -12.553631 -18.568026 8.045898 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=770) -1 -13.284978 -18.918467 7.490145 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=770) -1 -13.094949 -18.081677 8.717428 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=771) -1 -4.736606 -6.859692 -10.420899 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=771) -1 -3.992658 -6.815786 -9.759331 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=771) -1 -4.844399 -5.887521 -10.569090 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=772) -1 11.018301 7.003578 -11.911027 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=772) -1 11.098534 7.839965 -12.429888 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=772) -1 11.832929 7.079846 -11.365152 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=773) -1 -27.093285 23.759353 -2.807128 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=773) -1 -26.654728 24.112569 -1.992631 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=773) -1 -27.905904 23.387849 -2.389247 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=774) -1 -14.832103 11.921647 6.022196 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=774) -1 -13.925094 11.578403 5.800191 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=774) -1 -15.062066 11.257597 6.723930 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=775) -1 15.176379 5.800887 12.678277 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=775) -1 14.618791 5.068445 13.017278 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=775) -1 15.954612 5.279321 12.359626 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=776) -1 -26.499298 4.201862 3.646692 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=776) -1 -25.911814 3.683467 4.245546 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=776) -1 -26.756480 3.488163 3.019780 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=777) -1 -26.319238 22.423189 -5.005163 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=777) -1 -26.629566 23.068387 -4.312407 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=777) -1 -26.722655 21.604883 -4.607906 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=778) -1 9.471451 4.861226 -16.289664 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=778) -1 9.717221 5.702633 -16.761838 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=778) -1 9.989891 4.233246 -16.856210 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=779) -1 9.278301 -16.123062 -6.865529 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=779) -1 10.161887 -15.668445 -6.971825 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=779) -1 9.105984 -16.332591 -7.804477 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=780) -1 35.917354 7.548282 2.253476 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=780) -1 35.764143 8.244109 2.917842 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=780) -1 34.995303 7.428037 1.920769 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=781) -1 -6.382865 -3.362117 22.014889 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=781) -1 -6.974274 -2.773828 21.495552 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=781) -1 -5.723312 -2.702659 22.327117 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=782) -1 -27.450510 20.444954 -3.552913 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=782) -1 -27.014667 20.308034 -2.689963 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=782) -1 -28.388191 20.316269 -3.299854 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=783) -1 23.550544 9.260103 -0.998691 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=783) -1 24.281434 8.746254 -0.608497 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=783) -1 23.655086 9.047936 -1.947623 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=784) -1 6.846406 5.803330 9.907464 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=784) -1 5.988285 5.393615 9.653814 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=784) -1 6.987295 5.377720 10.780075 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=785) -1 -23.754938 3.175926 -6.800222 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=785) -1 -23.126377 3.057151 -6.030770 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=785) -1 -23.745776 2.247768 -7.133398 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=786) -1 3.356801 4.489141 5.105130 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=786) -1 2.963859 4.622362 4.212429 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=786) -1 4.285171 4.264697 4.834193 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=787) -1 7.974480 -15.766129 6.289794 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=787) -1 8.415765 -15.263318 7.013250 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=787) -1 8.764591 -16.204821 5.894331 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=788) -1 -13.915469 1.634671 -13.757431 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=788) -1 -14.152403 1.471219 -12.817460 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=788) -1 -14.720943 1.247523 -14.192827 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=789) -1 27.774405 -12.691005 -10.237604 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=789) -1 26.851028 -12.394237 -10.079703 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=789) -1 27.768950 -12.680278 -11.228186 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=790) -1 -12.008310 -16.003866 -10.904956 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=790) -1 -12.911777 -15.821073 -10.589705 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=790) -1 -12.219969 -16.549427 -11.707148 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=791) -1 -16.802323 -10.113422 -14.343623 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=791) -1 -15.846304 -10.151453 -14.154445 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=791) -1 -17.059996 -9.316660 -13.850089 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=792) -1 26.979221 3.365529 -2.531310 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=792) -1 26.739591 4.166320 -3.050938 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=792) -1 27.189966 3.794456 -1.667486 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=793) -1 1.618174 8.304112 -2.307178 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=793) -1 2.162642 7.470438 -2.270258 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=793) -1 1.120926 8.200165 -1.470790 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=794) -1 12.428211 8.091444 -15.866202 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=794) -1 13.087635 8.824391 -15.840756 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=794) -1 12.905241 7.418605 -15.333069 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=795) -1 7.610053 -15.433747 -0.151606 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=795) -1 7.906169 -14.521606 -0.359455 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=795) -1 6.680470 -15.393173 -0.414839 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=796) -1 37.913927 -4.343357 3.216965 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=796) -1 37.710888 -3.594214 3.820465 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=796) -1 37.503033 -5.079760 3.686323 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=797) -1 -8.938487 -15.434929 -1.213289 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=797) -1 -8.640696 -15.448812 -2.152631 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=797) -1 -8.907658 -16.410472 -1.028877 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=798) -1 28.768245 5.439700 7.567746 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=798) -1 28.882026 6.325238 7.140626 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=798) -1 27.849190 5.246604 7.308947 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=799) -1 -12.136148 5.407453 -13.784651 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=799) -1 -11.203073 5.505580 -13.532538 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=799) -1 -12.028379 4.836470 -14.593063 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=801) -1 30.915043 -6.637028 2.191665 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=801) -1 30.337471 -6.871153 1.440100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=801) -1 30.252959 -6.532176 2.906883 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=802) -1 -7.581780 20.859388 -3.569172 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=802) -1 -7.518731 20.122748 -2.904465 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=802) -1 -8.036741 20.338581 -4.289760 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=803) -1 34.920437 3.319616 5.553150 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=803) -1 35.343370 3.021065 4.711412 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=803) -1 35.060724 4.275421 5.491384 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=804) -1 -8.991931 -23.083123 5.238354 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=804) -1 -9.553073 -22.996765 4.443765 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=804) -1 -9.602982 -22.773159 5.934439 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=805) -1 3.488872 -0.192838 -3.920583 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=805) -1 4.069019 0.374862 -4.479519 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=805) -1 2.709989 0.417564 -3.854037 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=806) -1 -26.431565 -1.639076 6.334978 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=806) -1 -27.087230 -2.311911 6.573593 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=806) -1 -25.611422 -2.203782 6.319316 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=807) -1 -12.062528 5.244228 13.670369 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=807) -1 -12.575018 5.197028 12.824248 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=807) -1 -11.729043 6.182015 13.567907 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=808) -1 6.391191 -0.777531 -11.319846 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=808) -1 6.681487 -1.560203 -11.847795 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=808) -1 6.243826 -1.222484 -10.451885 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=809) -1 -15.500097 29.841392 -7.808950 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=809) -1 -14.649330 29.727797 -7.312408 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=809) -1 -15.142835 30.328994 -8.591558 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=810) -1 13.867681 0.052502 14.725737 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=810) -1 14.472734 0.571546 15.271629 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=810) -1 13.138741 0.697749 14.586298 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=811) -1 -10.714570 -17.179175 -8.793901 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=811) -1 -11.063776 -18.084867 -9.013049 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=811) -1 -11.167760 -16.680951 -9.520679 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=812) -1 -19.369719 -21.807712 1.220389 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=812) -1 -20.100181 -21.792562 0.565566 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=812) -1 -18.614374 -22.014705 0.626940 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=813) -1 -16.469120 -4.904095 12.942043 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=813) -1 -16.568952 -4.235036 12.225290 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=813) -1 -15.760229 -5.459389 12.554301 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=814) -1 -0.590164 -16.727659 -0.239539 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=814) -1 -1.200611 -17.418064 0.101127 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=814) -1 -0.248164 -16.368709 0.605147 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=815) -1 -1.835090 -15.797679 -10.982862 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=815) -1 -2.095218 -14.940337 -11.372503 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=815) -1 -1.005806 -15.514241 -10.512065 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=816) -1 11.784738 9.109467 -13.397680 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=816) -1 11.683570 8.922056 -14.360668 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=816) -1 12.656745 8.633555 -13.260638 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=817) -1 22.639230 -2.840651 -18.323194 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=817) -1 22.516017 -1.896541 -18.518986 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=817) -1 21.869102 -3.005977 -17.737312 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=818) -1 -17.260480 21.287005 -11.158473 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=818) -1 -16.915051 20.460814 -11.575122 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=818) -1 -16.409026 21.685584 -10.865444 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=819) -1 26.437462 11.798099 8.620874 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=819) -1 26.898322 11.004805 8.226407 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=819) -1 25.931164 12.060885 7.808525 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=820) -1 -26.576871 0.286592 -0.330759 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=820) -1 -26.961084 0.948392 0.265406 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=820) -1 -27.031153 0.477771 -1.169225 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=821) -1 -6.059490 0.581160 22.501888 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=821) -1 -5.871355 1.430854 22.037866 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=821) -1 -7.037097 0.572748 22.456098 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=822) -1 -7.930640 7.388927 -8.136176 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=822) -1 -7.569317 6.695075 -8.724009 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=822) -1 -7.085573 7.772523 -7.792972 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=823) -1 -22.618729 3.496186 6.749880 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=823) -1 -21.851834 3.014801 7.141944 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=823) -1 -22.122435 4.272934 6.373323 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=824) -1 17.176724 20.115882 -3.143428 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=824) -1 17.895923 19.934063 -3.792300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=824) -1 17.027887 19.208291 -2.805458 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=825) -1 11.255666 10.510525 11.070991 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=825) -1 12.178598 10.871687 11.037181 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=825) -1 11.415822 9.617629 10.706427 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=826) -1 25.104856 -5.940353 -15.052883 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=826) -1 25.265205 -5.330693 -14.292286 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=826) -1 24.996807 -5.263454 -15.767665 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=827) -1 -7.584777 25.365154 -8.877185 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=827) -1 -6.908120 24.738773 -8.489541 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=827) -1 -7.681920 25.953152 -8.085797 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=828) -1 -10.659933 13.549296 16.264770 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=828) -1 -9.692010 13.662056 16.383430 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=828) -1 -10.658035 12.689681 15.777136 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=829) -1 -16.241944 15.686132 14.744759 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=829) -1 -15.616626 16.369163 15.067621 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=829) -1 -16.755410 16.197811 14.093357 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=830) -1 -16.317601 30.150800 -13.366903 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=830) -1 -17.190668 29.997058 -13.805386 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=830) -1 -15.848476 29.338824 -13.667094 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=831) -1 -18.181853 4.686800 15.182150 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=831) -1 -18.361330 5.644052 15.189887 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=831) -1 -18.482632 4.449777 14.280248 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=832) -1 -23.856660 23.747055 2.006551 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=832) -1 -23.512458 24.248590 1.239638 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=832) -1 -23.038905 23.308534 2.319506 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=833) -1 34.953627 -2.493024 6.849948 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=833) -1 34.472032 -3.352587 6.791744 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=833) -1 34.333219 -1.933659 6.318497 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=834) -1 -8.712581 -4.843964 21.989536 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=834) -1 -9.199013 -4.063814 22.344524 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=834) -1 -7.792452 -4.512496 22.077166 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=835) -1 -31.550877 -17.564723 -1.938819 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=835) -1 -31.082004 -18.025702 -1.194725 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=835) -1 -31.839980 -18.357007 -2.447161 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=836) -1 -17.322608 12.078841 13.690878 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=836) -1 -17.871087 11.308488 13.958746 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=836) -1 -16.645782 11.609032 13.136959 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=837) -1 0.927136 -0.631374 11.199345 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=837) -1 0.310177 -1.258756 10.788166 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=837) -1 0.350640 0.192938 11.169275 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=838) -1 -18.989161 -0.462252 -1.674899 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=838) -1 -18.328494 -0.765303 -1.026141 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=838) -1 -18.556809 0.351382 -2.008957 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=839) -1 19.700292 16.435023 11.204313 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=839) -1 20.181291 15.634912 10.863622 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=839) -1 18.940759 16.441366 10.603669 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=840) -1 32.831187 9.046745 -0.092435 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=840) -1 32.480841 8.305392 -0.664411 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=840) -1 33.067695 8.485174 0.697318 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=841) -1 -9.743984 12.655354 -6.482720 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=841) -1 -10.548545 12.295520 -6.927774 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=841) -1 -9.110358 11.934452 -6.711882 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=842) -1 -14.064006 28.483588 0.459680 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=842) -1 -13.747379 28.018161 1.267036 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=842) -1 -14.932345 28.050432 0.335135 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=843) -1 8.957531 5.334980 14.437621 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=843) -1 9.776616 5.784011 14.158582 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=843) -1 9.312773 4.519279 14.834905 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=844) -1 -22.922042 -12.602792 -14.394463 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=844) -1 -22.022163 -12.994453 -14.463121 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=844) -1 -22.737308 -11.862838 -13.784026 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=845) -1 6.981864 14.443083 -5.447409 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=845) -1 6.011708 14.325095 -5.314670 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=845) -1 6.963685 14.881270 -6.335848 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=846) -1 13.512294 -16.212718 -10.301698 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=846) -1 13.588566 -16.107666 -9.319116 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=846) -1 12.546573 -16.100614 -10.401151 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=847) -1 -0.934150 1.039799 15.268397 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=847) -1 -0.129652 0.532887 15.005945 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=847) -1 -1.127798 1.459441 14.383217 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=848) -1 -24.768568 6.171894 2.990040 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=848) -1 -25.539265 5.596106 3.194053 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=848) -1 -24.805465 6.802329 3.725826 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=849) -1 10.128981 -13.939666 4.349090 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=849) -1 10.263335 -14.861279 4.680437 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=849) -1 10.431488 -13.441091 5.143733 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=850) -1 -9.508035 11.523941 -3.899591 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=850) -1 -8.613891 11.832818 -3.630177 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=850) -1 -9.691044 12.149796 -4.630368 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=851) -1 -24.353631 -26.785382 -4.693773 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=851) -1 -24.042744 -26.350748 -5.528026 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=851) -1 -23.571411 -26.594221 -4.125974 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=852) -1 -21.089003 22.842977 -11.307582 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=852) -1 -20.727462 22.151367 -10.708721 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=852) -1 -20.486311 22.713340 -12.078096 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=853) -1 -30.168336 -18.792162 -5.723048 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=853) -1 -29.429127 -18.525758 -6.329961 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=853) -1 -30.159606 -17.978838 -5.145398 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=854) -1 5.707640 0.783754 -13.409481 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=854) -1 5.915291 0.212043 -12.628244 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=854) -1 4.719432 0.668449 -13.408769 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=855) -1 -20.238792 23.215858 7.399612 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=855) -1 -20.759179 23.544437 8.178281 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=855) -1 -20.210430 22.259837 7.632056 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=856) -1 -17.896238 17.087150 -11.715482 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=856) -1 -17.341631 16.348661 -12.061934 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=856) -1 -18.146672 16.697085 -10.842440 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=857) -1 3.078754 -5.077000 -2.429598 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=857) -1 3.006641 -4.297920 -3.019468 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=857) -1 2.981361 -4.630262 -1.551575 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=858) -1 -5.659545 5.016413 19.704888 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=858) -1 -6.527507 4.909585 19.246493 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=858) -1 -5.258529 5.705287 19.133529 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=859) -1 7.589530 12.244858 -3.944118 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=859) -1 8.470101 12.398233 -3.516317 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=859) -1 7.473580 13.122644 -4.378696 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=860) -1 -11.680312 9.994575 -3.744677 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=860) -1 -11.627009 9.709571 -4.688442 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=860) -1 -10.871870 10.576185 -3.726147 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=861) -1 -12.201009 27.272965 -8.106888 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=861) -1 -12.835808 26.607311 -8.461405 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=861) -1 -11.819950 26.746269 -7.362699 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=862) -1 -11.963404 13.271773 -13.834032 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=862) -1 -11.534595 12.638826 -14.427438 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=862) -1 -12.395561 12.653925 -13.194712 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=863) -1 32.899164 -0.371051 12.971354 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=863) -1 32.841974 0.604460 12.958202 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=863) -1 33.768105 -0.491817 12.518468 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=864) -1 -14.865271 -21.323179 5.538996 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=864) -1 -14.942702 -20.600420 6.214606 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=864) -1 -15.744970 -21.753620 5.690476 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=865) -1 1.819232 -13.161916 -1.470163 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=865) -1 1.795041 -13.312331 -0.490950 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=865) -1 1.207471 -13.881846 -1.752121 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=866) -1 -26.853381 -12.594771 -0.173142 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=866) -1 -25.961682 -12.466304 -0.583323 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=866) -1 -26.989882 -11.668395 0.152505 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=867) -1 9.438600 2.646783 15.164415 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=867) -1 8.903237 2.359680 14.389827 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=867) -1 8.877086 2.356965 15.896140 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=868) -1 -8.302770 -0.006850 12.428310 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=868) -1 -7.743621 -0.226597 11.642150 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=868) -1 -7.665805 0.551157 12.922750 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=869) -1 16.037376 20.326993 5.960170 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=869) -1 16.421025 20.119193 5.082103 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=869) -1 16.007735 19.435153 6.360367 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=870) -1 35.467355 -5.884360 0.290208 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=870) -1 34.922643 -5.770497 -0.514345 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=870) -1 34.848828 -6.389522 0.856148 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=871) -1 -13.052316 11.426322 14.482057 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=871) -1 -13.874858 11.924578 14.657789 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=871) -1 -13.418620 10.604503 14.091963 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=872) -1 -2.307124 -1.192195 16.383669 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=872) -1 -1.912402 -0.303569 16.306548 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=872) -1 -2.862195 -1.094509 17.175715 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=873) -1 -0.561182 -7.537147 -7.527111 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=873) -1 0.032094 -6.744170 -7.626811 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=873) -1 -0.134627 -8.142696 -8.153571 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=874) -1 -20.484644 9.191037 0.151865 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=874) -1 -20.851938 9.104748 1.074146 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=874) -1 -21.136623 8.656030 -0.330952 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=875) -1 -25.396178 22.112864 -7.515865 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=875) -1 -25.799494 22.275688 -6.628591 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=875) -1 -25.994223 21.437762 -7.863144 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=876) -1 13.628808 -11.016718 9.321420 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=876) -1 13.358248 -10.382012 10.006745 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=876) -1 14.359753 -11.483232 9.817132 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=877) -1 27.818528 1.354836 15.386218 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=877) -1 27.694447 0.371231 15.328154 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=877) -1 27.020759 1.629534 14.879325 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=878) -1 -17.356693 13.624083 4.945508 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=878) -1 -17.255313 12.697111 4.638478 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=878) -1 -16.989745 13.544599 5.852393 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=879) -1 -8.028813 22.639352 -1.457886 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=879) -1 -8.048930 21.873091 -0.826524 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=879) -1 -7.844152 22.131703 -2.286558 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=880) -1 -21.514977 9.015301 10.285033 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=880) -1 -21.198741 9.449979 11.115139 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=880) -1 -21.110888 8.126591 10.407821 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=881) -1 -26.621629 16.723641 -0.677167 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=881) -1 -26.533099 15.991220 -1.302617 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=881) -1 -25.830167 16.576738 -0.108420 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=882) -1 24.889985 -11.964039 5.010928 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=882) -1 24.504028 -12.674416 4.437400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=882) -1 24.646653 -12.331604 5.893172 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=883) -1 16.034115 3.853705 -21.740436 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=883) -1 16.512384 4.282607 -20.995089 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=883) -1 15.243412 4.441913 -21.787672 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=884) -1 10.715143 12.977008 -0.135625 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=884) -1 11.441930 13.623900 0.028526 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=884) -1 10.202048 13.104284 0.695296 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=885) -1 -15.358042 11.006561 12.286148 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=885) -1 -15.109046 11.225410 11.368659 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=885) -1 -14.730375 10.279608 12.480503 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=886) -1 -1.834846 -10.165675 15.047527 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=886) -1 -1.979618 -11.143019 15.081313 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=886) -1 -0.896085 -10.169673 14.727629 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=887) -1 21.700432 0.244313 15.694172 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=887) -1 21.807648 -0.548821 15.136892 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=887) -1 22.520023 0.242727 16.204419 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=888) -1 -10.954712 25.300430 1.979148 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=888) -1 -10.942211 25.764158 1.107412 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=888) -1 -10.128513 24.771525 1.880162 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=889) -1 25.703850 -13.401460 12.331038 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=889) -1 25.170600 -13.182862 11.545160 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=889) -1 25.507651 -12.633092 12.906605 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=890) -1 6.391305 3.390801 -10.065185 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=890) -1 6.127275 3.540062 -11.003130 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=890) -1 7.077625 2.696390 -10.206046 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=891) -1 -4.473820 -10.889644 15.000007 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=891) -1 -3.670720 -10.350565 14.829310 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=891) -1 -4.075696 -11.789014 14.942072 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=892) -1 -29.760948 -14.240637 -6.376297 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=892) -1 -29.662047 -14.978586 -7.024041 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=892) -1 -29.542239 -13.485774 -6.988808 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=893) -1 -6.535737 -0.246519 -13.196583 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=893) -1 -6.744159 0.532915 -13.745981 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=893) -1 -7.279034 -0.182739 -12.540087 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=894) -1 -18.022590 7.547386 14.692114 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=894) -1 -17.045805 7.453897 14.706496 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=894) -1 -18.186742 7.320828 13.741803 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=895) -1 25.248832 -10.090619 10.205298 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=895) -1 24.943515 -10.976825 10.484827 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=895) -1 25.254674 -9.623306 11.070175 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=896) -1 11.461890 6.364688 13.417635 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=896) -1 12.063451 6.912648 12.848446 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=896) -1 11.614608 6.852574 14.274928 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=897) -1 -14.093458 -15.119214 18.060755 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=897) -1 -14.072926 -15.934958 18.614931 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=897) -1 -13.320549 -14.646210 18.443088 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=898) -1 20.063191 -14.147731 4.419330 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=898) -1 19.842934 -13.210950 4.226478 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=898) -1 19.794745 -14.551703 3.552677 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=899) -1 9.315576 10.959820 3.103379 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=899) -1 9.337421 11.893836 2.819734 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=899) -1 9.948102 10.558359 2.481734 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=900) -1 -25.417483 -10.452342 -10.117191 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=900) -1 -25.521330 -11.337215 -10.545471 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=900) -1 -24.488592 -10.254516 -10.418643 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=901) -1 27.959474 5.824534 -6.191837 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=901) -1 27.698580 5.025604 -6.709206 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=901) -1 27.809689 6.514606 -6.882865 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=902) -1 -26.622448 -9.899096 0.352399 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=902) -1 -27.264515 -9.178353 0.277683 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=902) -1 -25.794916 -9.380437 0.511241 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=903) -1 34.041636 1.356653 7.146155 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=903) -1 33.502957 1.873980 7.777679 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=903) -1 34.383408 2.095705 6.578627 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=904) -1 -12.416827 19.619800 6.313514 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=904) -1 -11.525083 19.522966 5.930241 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=904) -1 -12.199324 19.908805 7.221668 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=905) -1 33.507012 -7.218266 1.775562 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=905) -1 32.581300 -6.961014 2.030578 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=905) -1 33.893419 -7.280329 2.684262 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=906) -1 -26.410785 23.060928 2.045282 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=906) -1 -25.484405 23.422767 2.131909 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=906) -1 -26.249904 22.188991 2.492496 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=907) -1 2.591886 -15.303683 10.716679 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=907) -1 2.006890 -15.418825 9.919677 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=907) -1 2.777945 -16.235929 10.916284 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=908) -1 -22.926909 13.150299 0.804079 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=908) -1 -22.218048 13.668780 0.356461 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=908) -1 -22.673464 12.248379 0.555757 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=909) -1 13.577899 -18.188690 -4.769415 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=909) -1 12.647187 -18.097735 -5.083171 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=909) -1 13.432121 -18.899715 -4.089882 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=910) -1 9.302468 -6.432529 8.096580 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=910) -1 8.611491 -7.090021 7.883869 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=910) -1 8.772709 -5.608984 8.116455 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=911) -1 -27.817727 -16.132208 -10.476299 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=911) -1 -27.788272 -17.131682 -10.551854 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=911) -1 -26.828266 -16.005505 -10.331597 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=912) -1 12.185494 7.670216 15.625198 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=912) -1 13.029540 7.174743 15.771856 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=912) -1 12.535004 8.590048 15.728873 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=913) -1 -25.992600 24.315507 -0.419780 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=913) -1 -25.096301 24.655247 -0.224072 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=913) -1 -26.218722 23.899900 0.436423 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=914) -1 -1.763621 12.807996 3.279962 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=914) -1 -2.052580 11.923206 2.938345 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=914) -1 -1.402649 13.176152 2.439754 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=915) -1 19.239678 -17.205669 -8.971209 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=915) -1 19.828630 -17.228309 -9.757091 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=915) -1 19.690919 -16.522438 -8.434814 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=916) -1 -6.292915 10.857180 -5.489541 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=916) -1 -5.490506 10.581639 -4.972912 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=916) -1 -6.634699 11.543197 -4.867821 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=917) -1 24.121647 -12.726892 10.113655 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=917) -1 24.179669 -12.658011 9.130418 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=917) -1 23.483679 -13.469503 10.185546 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=918) -1 1.484303 -0.388983 -10.984516 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=918) -1 1.824637 -0.790965 -10.164611 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=918) -1 0.664900 -0.914285 -11.116830 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=919) -1 26.733991 -9.378372 -4.371271 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=919) -1 26.085294 -10.055778 -4.062061 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=919) -1 26.580806 -9.450280 -5.345407 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=920) -1 -11.006796 26.061867 -5.908602 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=920) -1 -10.224351 25.575728 -5.556018 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=920) -1 -11.568616 25.296838 -6.169204 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=921) -1 -21.733718 22.338511 3.070939 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=921) -1 -21.224738 22.811960 3.770671 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=921) -1 -22.254240 21.721626 3.635754 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=922) -1 -4.882695 -7.803363 20.955272 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=922) -1 -3.957610 -8.103614 20.781868 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=922) -1 -4.708894 -6.843666 21.103858 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=923) -1 30.191439 2.465686 15.997632 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=923) -1 30.534738 1.667331 16.472269 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=923) -1 29.288828 2.117777 15.772145 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=924) -1 -18.729077 10.758420 -7.782518 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=924) -1 -19.596197 11.080544 -8.133845 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=924) -1 -18.979866 9.821462 -7.603088 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=925) -1 12.618615 -17.196086 6.601593 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=925) -1 13.156613 -17.945165 6.900015 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=925) -1 13.180715 -16.856285 5.862348 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=926) -1 -20.565714 6.621746 -14.670207 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=926) -1 -20.033375 5.901225 -15.081065 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=926) -1 -21.463475 6.217225 -14.753863 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=927) -1 -13.565628 8.637421 -8.069153 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=927) -1 -13.531409 8.845503 -7.113392 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=927) -1 -14.410665 8.124328 -8.097230 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=929) -1 -30.017745 -24.688062 -5.312209 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=929) -1 -29.599576 -25.587171 -5.282298 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=929) -1 -29.874165 -24.490013 -6.271535 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=930) -1 23.665885 -7.835731 -16.389768 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=930) -1 22.743512 -7.849801 -16.063654 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=930) -1 24.065320 -7.190257 -15.764743 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=931) -1 -23.341607 25.173075 -0.286328 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=931) -1 -22.608763 25.803295 -0.095823 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=931) -1 -23.386553 25.240238 -1.253417 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=932) -1 -15.486137 4.229384 13.002216 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=932) -1 -16.026630 3.809615 12.290462 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=932) -1 -14.720431 4.529327 12.456061 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=933) -1 -28.709159 18.426821 -0.579843 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=933) -1 -27.983341 17.755830 -0.628734 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=933) -1 -28.466576 18.861626 0.267601 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=934) -1 0.434227 -3.240821 -9.383760 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=934) -1 0.579649 -4.088212 -8.917348 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=934) -1 1.097437 -2.675734 -8.929405 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=935) -1 -9.226646 22.309810 -12.944528 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=935) -1 -8.748954 22.669190 -12.164499 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=935) -1 -10.064351 22.026288 -12.522490 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=936) -1 -25.871591 0.963193 7.079874 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=936) -1 -26.060859 1.311139 6.189846 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=936) -1 -26.080060 0.011832 6.945089 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=937) -1 21.511993 15.106919 -1.883655 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=937) -1 20.690946 15.644953 -1.961966 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=937) -1 21.805955 15.349441 -0.993869 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=938) -1 -28.332197 -23.460845 -3.585350 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=938) -1 -28.933483 -23.972063 -4.181515 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=938) -1 -29.001367 -22.864811 -3.168928 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=939) -1 24.317290 -0.979354 -12.600261 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=939) -1 24.983994 -1.336233 -11.984989 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=939) -1 23.492417 -1.327219 -12.198812 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=940) -1 23.762535 12.202779 12.076626 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=940) -1 22.787164 12.170946 12.257901 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=940) -1 23.786972 13.076574 11.609967 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=941) -1 3.238254 -1.937847 11.895550 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=941) -1 2.453862 -1.414751 11.610321 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=941) -1 3.605359 -2.176251 11.017353 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=942) -1 -25.943161 4.677259 -6.699041 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=942) -1 -25.181937 4.045418 -6.749481 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=942) -1 -26.655301 4.034255 -6.463685 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=943) -1 23.434761 16.171063 13.077061 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=943) -1 24.327932 15.748370 13.162995 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=943) -1 23.639642 17.067621 13.378963 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=944) -1 -3.404980 4.789453 16.624323 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=944) -1 -3.763545 3.873465 16.670584 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=944) -1 -2.596861 4.601253 16.075254 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=945) -1 -9.607675 -14.865488 -11.807977 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=945) -1 -9.166262 -15.012976 -10.940531 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=945) -1 -10.504470 -15.213564 -11.591141 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=946) -1 14.497282 6.273630 15.473493 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=946) -1 14.109777 5.429200 15.149375 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=946) -1 15.105756 6.475204 14.739478 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=947) -1 -4.791479 -4.084882 -10.798033 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=947) -1 -3.817683 -3.992058 -10.941614 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=947) -1 -5.025641 -3.121530 -10.753371 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=948) -1 -17.171925 1.716063 -17.239440 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=948) -1 -18.139129 1.730208 -17.125900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=948) -1 -16.942874 2.626852 -16.944693 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=949) -1 22.320419 11.565985 -0.502531 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=949) -1 22.737907 11.762209 0.381214 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=949) -1 22.779772 10.699366 -0.675107 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=950) -1 -3.195894 -16.917826 -13.069870 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=950) -1 -2.627206 -16.703266 -12.294939 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=950) -1 -2.697816 -17.641850 -13.471362 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=951) -1 -24.059723 -5.370725 1.007599 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=951) -1 -24.089524 -4.601944 1.621845 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=951) -1 -23.183494 -5.737647 1.240076 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=952) -1 -8.468838 10.258510 -7.041467 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=952) -1 -7.660381 10.435750 -6.500519 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=952) -1 -8.140282 9.521702 -7.592957 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=953) -1 -21.160593 11.605438 -8.665875 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=953) -1 -21.335744 10.728018 -9.095464 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=953) -1 -21.861513 11.583229 -7.976541 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=954) -1 27.204367 -13.899570 -7.900595 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=954) -1 27.655840 -13.527588 -8.702031 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=954) -1 26.583923 -14.517064 -8.362374 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=955) -1 -12.263649 -19.234902 14.347396 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=955) -1 -12.007269 -20.027849 13.814669 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=955) -1 -11.931024 -18.536043 13.721809 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=956) -1 20.734921 -17.013611 -11.323563 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=956) -1 19.899368 -16.596135 -11.687208 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=956) -1 20.982523 -17.516987 -12.142839 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=957) -1 3.403727 9.859569 -0.182026 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=957) -1 4.308904 9.555981 0.052177 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=957) -1 3.503264 9.935847 -1.155070 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=958) -1 26.765155 -11.214618 -1.349232 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=958) -1 26.603708 -12.115305 -1.036128 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=958) -1 26.130518 -11.166011 -2.102616 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=959) -1 -3.742281 -17.029818 9.934954 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=959) -1 -4.207426 -16.791749 10.778221 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=959) -1 -4.550853 -17.112398 9.351906 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=960) -1 3.807997 3.832764 -9.285010 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=960) -1 4.778542 3.709085 -9.377184 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=960) -1 3.720288 3.846362 -8.311818 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=961) -1 29.225989 -10.383178 -4.097506 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=961) -1 28.307560 -10.019104 -4.187716 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=961) -1 29.162092 -11.081935 -4.798264 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=962) -1 25.586837 10.092752 -10.906354 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=962) -1 24.822668 9.639843 -11.343805 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=962) -1 25.200824 11.002540 -10.845366 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=963) -1 -10.069416 -23.140109 -3.377007 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=963) -1 -9.141571 -22.820372 -3.332849 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=963) -1 -9.988323 -23.937898 -2.790725 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=964) -1 7.609697 4.512311 12.218783 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=964) -1 8.517767 4.654917 11.819771 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=964) -1 7.785960 4.959382 13.086880 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=965) -1 -20.404419 21.520447 0.869280 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=965) -1 -20.860400 21.671133 1.728472 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=965) -1 -19.544975 21.170288 1.188481 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=966) -1 -8.169664 -9.323751 -12.925601 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=966) -1 -7.582018 -8.523033 -12.898921 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=966) -1 -7.470949 -9.998073 -12.696213 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=967) -1 -6.665446 -17.586188 -3.766308 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=967) -1 -7.145764 -18.123923 -4.455148 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=967) -1 -7.334082 -16.867077 -3.665260 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=968) -1 -14.736258 4.263852 -13.956421 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=968) -1 -14.423959 3.329900 -13.986855 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=968) -1 -13.872978 4.727788 -13.994650 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=969) -1 -25.254833 18.129807 2.681966 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=969) -1 -25.179022 17.489601 3.434877 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=969) -1 -25.258029 17.477965 1.937998 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=970) -1 -10.305069 -25.390668 -2.008974 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=970) -1 -10.716198 -25.459100 -1.117204 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=970) -1 -10.976555 -25.883310 -2.534361 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=971) -1 1.135311 -15.667459 8.535433 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=971) -1 1.332945 -15.857981 7.591015 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=971) -1 0.202009 -15.981159 8.575104 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=972) -1 -9.300714 -14.838524 13.029804 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=972) -1 -9.616517 -15.325958 13.818777 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=972) -1 -8.506175 -15.387638 12.810100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=973) -1 -15.590634 1.831766 18.359995 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=973) -1 -15.801984 0.908216 18.086650 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=973) -1 -15.407054 1.674762 19.316641 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=974) -1 32.229462 2.181962 9.149448 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=974) -1 31.918699 1.247376 9.097845 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=974) -1 31.593508 2.582062 8.493847 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=975) -1 3.672430 9.957066 -2.983127 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=975) -1 3.253490 10.713939 -3.456310 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=975) -1 2.886425 9.371597 -2.884725 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=976) -1 -15.234092 13.197315 15.088395 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=976) -1 -15.993856 12.715414 14.679480 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=976) -1 -15.609731 14.116088 15.040960 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=977) -1 36.633099 4.898913 2.009655 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=977) -1 36.531958 5.874130 2.083901 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=977) -1 36.103604 4.740345 1.192451 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=978) -1 -18.841862 4.181849 12.487909 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=978) -1 -18.128219 3.741581 11.960659 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=978) -1 -19.607672 3.991134 11.897531 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=979) -1 -14.292234 1.466736 20.732720 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=979) -1 -13.694985 2.203762 20.978458 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=979) -1 -13.636641 0.795267 20.457453 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=980) -1 -6.752401 -2.670426 -14.344862 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=980) -1 -6.307311 -2.480219 -15.184548 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=980) -1 -6.640011 -1.803156 -13.883350 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=981) -1 -28.082619 -18.049748 -7.290186 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=981) -1 -27.178896 -17.793434 -7.592123 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=981) -1 -28.598067 -17.306386 -7.688071 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=982) -1 23.584545 14.647100 -9.239323 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=982) -1 23.712969 14.806134 -8.279417 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=982) -1 22.625787 14.872715 -9.318628 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=983) -1 35.721535 -0.059819 3.950255 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=983) -1 35.593172 -0.039089 2.966231 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=983) -1 36.013344 0.875537 4.071848 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=984) -1 -19.558713 30.085305 -5.951188 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=984) -1 -18.596584 30.316608 -5.831191 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=984) -1 -19.855724 30.874100 -6.431072 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=985) -1 -1.109086 9.862807 -2.246903 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=985) -1 -0.986942 9.455678 -3.129048 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=985) -1 -0.851716 9.109696 -1.670573 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=986) -1 -26.183868 -3.154177 -12.238152 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=986) -1 -26.727884 -2.961687 -11.449257 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=986) -1 -25.934330 -4.094670 -12.030938 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=987) -1 6.593595 -10.030717 3.958757 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=987) -1 6.236181 -9.137798 3.737094 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=987) -1 7.479235 -9.753655 4.302155 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=988) -1 7.877347 1.029575 -14.967953 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=988) -1 8.376754 0.324202 -14.488159 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=988) -1 7.008950 0.940594 -14.495757 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=989) -1 -5.769391 8.647311 -7.154780 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=989) -1 -5.787829 9.450090 -6.595834 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=989) -1 -4.824907 8.396482 -7.074105 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=990) -1 -5.771356 -13.175621 -13.926360 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=990) -1 -6.740678 -13.198957 -13.691856 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=990) -1 -5.847227 -13.040756 -14.885742 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=991) -1 17.621702 4.749610 -19.691276 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=991) -1 17.428977 5.170237 -18.812812 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=991) -1 18.372724 5.295157 -19.974606 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=992) -1 -10.304434 17.694014 -7.085747 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=992) -1 -11.185238 18.040871 -6.815125 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=992) -1 -10.406746 16.755805 -6.778185 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=993) -1 22.994307 10.790157 6.339822 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=993) -1 23.781020 11.379164 6.400382 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=993) -1 23.463199 9.942963 6.104053 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=994) -1 29.762275 -3.916123 12.366666 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=994) -1 29.543567 -3.352490 13.148220 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=994) -1 30.478350 -3.356946 11.975811 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=995) -1 13.379497 7.757123 12.035171 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=995) -1 13.797148 8.548638 12.451996 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=995) -1 14.106489 7.102653 12.188841 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=996) -1 5.654070 3.421771 -12.715090 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=996) -1 5.679619 2.472468 -12.989266 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=996) -1 6.360575 3.767761 -13.313917 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=997) -1 -16.124053 15.207871 -12.641359 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=997) -1 -15.434691 14.767647 -12.077128 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=997) -1 -16.515494 14.423419 -13.061624 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=998) -1 -12.436276 10.970156 5.441578 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=998) -1 -12.172033 10.290561 6.116372 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=998) -1 -12.275952 10.412751 4.630880 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=999) -1 -23.452292 11.187537 9.792801 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=999) -1 -23.226251 10.481382 10.433594 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=999) -1 -23.001168 10.814000 8.990711 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1000) -1 -2.871468 -6.494657 -8.553411 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1000) -1 -2.073879 -6.960597 -8.214553 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1000) -1 -2.901187 -5.745743 -7.909911 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1002) -1 -19.847497 1.635720 -16.133963 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1002) -1 -20.027372 0.670589 -16.287535 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1002) -1 -19.323100 1.538588 -15.287070 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1003) -1 -20.591435 -5.268448 -14.134731 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1003) -1 -20.000507 -5.339534 -13.350100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1003) -1 -19.999357 -4.730331 -14.720223 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1004) -1 -8.632098 -15.346510 -9.271268 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1004) -1 -9.341170 -14.708206 -9.009978 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1004) -1 -9.081987 -16.186391 -9.027904 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1005) -1 10.855363 5.903327 8.981942 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1005) -1 10.054165 5.952834 8.421983 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1005) -1 11.134621 4.971187 8.788141 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1006) -1 -24.725889 -1.385106 0.644483 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1006) -1 -25.440361 -0.802026 0.273499 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1006) -1 -24.809434 -2.136203 0.007078 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1007) -1 -21.145004 8.853720 2.674312 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1007) -1 -21.539130 8.164687 3.268167 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1007) -1 -20.373622 9.109243 3.230353 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1008) -1 13.048704 -15.720923 2.133956 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1008) -1 13.566212 -15.045658 1.642644 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1008) -1 12.138095 -15.369677 1.992283 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1009) -1 -0.768830 -7.072625 18.606673 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1009) -1 -1.351400 -6.295469 18.811471 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1009) -1 -1.342284 -7.513127 17.931052 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1010) -1 -18.786075 -7.425374 15.999377 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1010) -1 -18.603039 -7.135258 15.067732 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1010) -1 -18.249787 -8.257584 15.992992 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1011) -1 -25.931022 -20.286625 -9.165314 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1011) -1 -25.756471 -19.353316 -8.896336 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1011) -1 -26.571089 -20.540300 -8.463470 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1012) -1 -27.095540 -2.606143 -9.656919 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1012) -1 -26.174736 -2.940709 -9.522934 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1012) -1 -27.351401 -2.508153 -8.698211 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1013) -1 4.656066 -7.190847 -1.634536 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1013) -1 5.413399 -6.610796 -1.383636 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1013) -1 4.098170 -6.507348 -2.091932 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1014) -1 -20.386505 -0.982314 -16.247672 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1014) -1 -20.914353 -1.266033 -15.461938 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1014) -1 -20.659870 -1.679718 -16.884520 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1015) -1 13.521795 0.937981 -19.004584 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1015) -1 12.700977 0.767854 -18.474896 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1015) -1 14.099498 0.247819 -18.571330 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1016) -1 36.129787 2.577374 3.248226 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1016) -1 36.422031 3.428517 2.828955 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1016) -1 35.985984 2.046840 2.432585 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1017) -1 20.945903 7.868351 -12.470501 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1017) -1 21.037090 6.887472 -12.419756 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1017) -1 20.487580 7.934850 -13.346181 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1018) -1 -2.652631 -16.653944 13.479106 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1018) -1 -2.590947 -17.642131 13.383975 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1018) -1 -3.536307 -16.533724 13.038320 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1019) -1 -22.350241 7.759677 -4.354086 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1019) -1 -21.707029 7.102376 -4.698623 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1019) -1 -23.168569 7.209879 -4.368271 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1020) -1 23.305538 11.931004 1.928036 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1020) -1 22.696645 11.898897 2.708912 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1020) -1 24.159248 11.816503 2.364650 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1021) -1 9.257611 -4.405797 -14.872220 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1021) -1 10.199495 -4.329986 -14.606999 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1021) -1 8.911324 -4.941599 -14.124647 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1022) -1 19.468271 -14.146333 9.859437 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1022) -1 20.400292 -14.409475 10.040605 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1022) -1 19.451472 -14.279993 8.884746 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1023) -1 -5.566189 3.247944 -11.002715 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1023) -1 -4.694145 3.467500 -11.429150 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1023) -1 -5.334278 2.339170 -10.685641 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1024) -1 20.649015 15.914487 13.676895 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1024) -1 21.610169 15.952584 13.502488 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1024) -1 20.304811 16.258581 12.818953 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1025) -1 21.671581 -14.215224 1.530971 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1025) -1 21.549539 -13.813996 0.660302 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1025) -1 20.744705 -14.491102 1.739849 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1026) -1 14.896690 -4.689297 15.751655 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1026) -1 15.715839 -5.049705 15.353396 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1026) -1 14.678595 -3.983404 15.104504 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1027) -1 12.708816 13.530028 14.115149 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1027) -1 13.363674 13.121716 13.493978 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1027) -1 11.889501 13.094239 13.780669 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1028) -1 -15.431384 15.957887 6.422514 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1028) -1 -16.022246 15.287519 6.847128 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1028) -1 -15.077968 15.398486 5.685982 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1029) -1 1.802847 7.667927 3.967939 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1029) -1 2.413000 7.637040 4.735066 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1029) -1 1.973053 6.782241 3.579088 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1030) -1 -18.049561 25.508922 -1.166777 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1030) -1 -18.745896 25.888840 -1.757536 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1030) -1 -18.629097 24.935781 -0.604279 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1031) -1 17.429323 10.726878 13.253541 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1031) -1 18.384315 10.482680 13.300323 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1031) -1 17.466659 11.293562 12.439773 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1032) -1 -17.710654 -14.502953 -16.354100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1032) -1 -18.420334 -14.989049 -15.872739 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1032) -1 -17.698843 -13.675124 -15.817855 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1033) -1 -28.239248 -20.608004 -0.972727 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1033) -1 -27.598774 -20.281176 -1.648167 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1033) -1 -27.651029 -21.261689 -0.510697 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1034) -1 -22.282588 2.432091 -14.912737 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1034) -1 -22.532959 1.647615 -14.386341 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1034) -1 -21.516897 2.085195 -15.410036 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1035) -1 0.260597 -15.277646 -2.386949 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1035) -1 0.023324 -15.835397 -1.601540 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1035) -1 -0.412381 -15.625073 -3.021218 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1036) -1 -15.830319 27.320059 3.625979 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1036) -1 -15.061660 27.192600 3.025888 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1036) -1 -15.355241 27.309245 4.488768 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1037) -1 5.910471 5.708589 6.470032 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1037) -1 6.835271 5.933561 6.690593 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1037) -1 6.050395 5.115733 5.695380 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1038) -1 -11.753641 26.049678 -11.300894 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1038) -1 -12.095541 26.961879 -11.291194 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1038) -1 -10.805998 26.217553 -11.086779 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1039) -1 12.374255 11.760565 -13.402521 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1039) -1 12.116497 10.811823 -13.305811 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1039) -1 11.474277 12.146548 -13.551060 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1040) -1 12.503698 3.299192 -19.992379 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1040) -1 12.946330 2.435697 -19.808252 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1040) -1 11.767745 3.238542 -19.342291 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1041) -1 -26.406759 0.165136 4.237052 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1041) -1 -25.415139 0.171556 4.222749 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1041) -1 -26.548170 -0.580806 4.859672 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1042) -1 -10.185097 -18.353714 -13.797835 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1042) -1 -9.803657 -19.210970 -13.565239 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1042) -1 -9.415673 -17.759565 -13.609206 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1043) -1 -10.214675 8.695533 15.419489 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1043) -1 -10.154199 7.912092 16.012675 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1043) -1 -10.686400 8.276245 14.654472 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1044) -1 -25.204738 12.231902 7.954985 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1044) -1 -25.049463 11.464453 7.362594 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1044) -1 -24.737440 11.919398 8.760979 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1045) -1 -22.776007 -5.970000 -12.604943 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1045) -1 -22.039060 -5.776211 -13.229803 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1045) -1 -22.368469 -6.714696 -12.105355 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1046) -1 -30.086822 -16.753224 -4.034842 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1046) -1 -30.355686 -15.814462 -4.162204 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1046) -1 -30.658329 -16.978305 -3.261021 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1047) -1 -8.307199 15.545574 3.193625 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1047) -1 -7.573369 14.897371 3.251668 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1047) -1 -8.659235 15.327153 2.303785 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1048) -1 -10.153914 -10.807108 -13.860164 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1048) -1 -10.780771 -10.545998 -13.149602 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1048) -1 -9.385671 -10.227007 -13.600603 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1049) -1 -1.483957 12.259141 7.178800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1049) -1 -1.999849 11.744220 7.831168 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1049) -1 -0.587861 11.884633 7.323154 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1050) -1 13.576898 18.334751 -5.561097 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1050) -1 13.659266 18.603363 -4.617466 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1050) -1 14.040172 17.465537 -5.518574 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1051) -1 -23.262160 3.906066 2.829004 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1051) -1 -23.780677 3.493572 3.553214 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1051) -1 -23.732607 4.768784 2.758070 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1052) -1 -27.041404 -17.577108 -15.014090 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1052) -1 -27.279261 -16.631260 -14.915672 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1052) -1 -26.084817 -17.487781 -15.229749 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1053) -1 -7.749651 27.414814 -1.817868 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1053) -1 -8.079894 26.535256 -2.107326 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1053) -1 -7.567138 27.222903 -0.873852 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1054) -1 18.800565 -0.106092 -18.504970 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1054) -1 19.750380 -0.082953 -18.242795 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1054) -1 18.791511 0.642652 -19.145333 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1055) -1 -24.491990 16.244240 0.921354 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1055) -1 -24.515460 15.422904 1.469820 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1055) -1 -23.515901 16.378400 0.883974 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1056) -1 11.870565 -3.699905 -14.279484 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1056) -1 11.755182 -2.934156 -14.885088 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1056) -1 12.758402 -4.016063 -14.590931 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1057) -1 23.500844 14.616083 10.826771 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1057) -1 22.544201 14.568197 10.554435 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1057) -1 23.407576 15.276506 11.555517 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1058) -1 29.425966 9.604497 -10.548431 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1058) -1 30.105666 9.323846 -11.195914 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1058) -1 28.728707 8.940679 -10.745586 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1059) -1 -5.277459 2.803855 21.171984 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1059) -1 -5.518957 3.637484 20.694463 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1059) -1 -4.312087 2.844332 21.106052 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1060) -1 -18.951665 10.055697 14.615491 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1060) -1 -19.199414 10.177904 15.545088 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1060) -1 -18.619923 9.122235 14.646193 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1061) -1 -24.950513 4.782781 -9.519580 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1061) -1 -25.404601 4.995911 -8.678546 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1061) -1 -25.076800 3.796597 -9.519262 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1062) -1 9.125159 -14.154827 8.175094 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1062) -1 9.565911 -13.442599 7.656290 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1062) -1 9.932650 -14.689371 8.403173 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1063) -1 21.301654 -0.349892 -17.485410 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1063) -1 20.977402 -1.237513 -17.194844 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1063) -1 21.672273 -0.032866 -16.631326 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1064) -1 35.930762 -1.745525 -0.011461 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1064) -1 36.612817 -2.460234 0.065716 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1064) -1 35.383361 -2.143026 -0.734900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1065) -1 -17.807185 -18.289897 -15.252470 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1065) -1 -17.069764 -18.847461 -14.912214 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1065) -1 -17.305090 -17.736903 -15.895229 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1066) -1 -7.873400 18.851300 -1.730533 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1066) -1 -7.765465 17.943803 -1.348181 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1066) -1 -7.897707 19.372332 -0.896091 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1067) -1 16.447299 22.809254 3.674656 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1067) -1 16.656971 23.152289 2.794497 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1067) -1 16.689828 21.858541 3.562136 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1068) -1 2.279620 -10.516422 -1.910693 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1068) -1 3.186640 -10.408313 -1.549068 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1068) -1 2.140287 -11.475595 -1.730852 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1069) -1 -19.370184 4.237952 -15.217816 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1069) -1 -19.635554 3.515643 -15.833286 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1069) -1 -19.494970 3.755585 -14.361384 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1070) -1 9.350760 -5.557931 -10.088766 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1070) -1 10.293610 -5.501718 -9.817994 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1070) -1 9.175922 -6.504845 -9.881752 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1071) -1 -8.634250 23.930926 1.142750 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1071) -1 -8.490746 23.505871 0.269820 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1071) -1 -8.275354 23.216954 1.728415 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1072) -1 -13.459475 -7.819207 -14.861090 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1072) -1 -13.854215 -8.529841 -14.302495 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1072) -1 -12.801401 -8.373901 -15.356242 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1073) -1 -15.218032 12.688893 2.560712 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1073) -1 -14.766855 11.978969 2.029971 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1073) -1 -15.547683 13.240955 1.818554 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1074) -1 -11.524498 -19.191456 3.762218 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1074) -1 -11.871384 -20.040949 4.125571 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1074) -1 -11.115766 -18.833555 4.590974 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1075) -1 -19.107683 -3.596747 -15.681897 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1075) -1 -19.640487 -3.570691 -16.506620 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1075) -1 -18.971576 -2.644610 -15.530928 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1077) -1 28.788568 5.580856 13.638498 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1077) -1 28.595642 4.708432 13.230577 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1077) -1 29.535729 5.311486 14.231847 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1078) -1 -11.067840 -20.355932 9.464779 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1078) -1 -10.621808 -19.747676 10.107547 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1078) -1 -11.631480 -19.697397 8.997041 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1079) -1 24.414840 11.718517 -3.514894 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1079) -1 24.790407 12.388330 -4.141350 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1079) -1 23.521380 12.114797 -3.386238 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1080) -1 -23.004389 5.732418 -7.122554 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1080) -1 -23.233521 4.768323 -7.182460 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1080) -1 -23.573393 5.967251 -6.349968 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1081) -1 -7.986136 20.049632 -13.834421 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1081) -1 -7.604331 20.244186 -14.697599 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1081) -1 -8.458874 20.886705 -13.634219 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1082) -1 -27.659096 -18.729070 -10.797368 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1082) -1 -28.009429 -18.992138 -11.677002 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1082) -1 -27.126976 -19.506994 -10.565345 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1083) -1 -6.031512 23.564350 -7.740927 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1083) -1 -6.232311 23.182425 -6.864569 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1083) -1 -5.992291 22.757936 -8.292852 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1084) -1 14.864387 -0.908500 -17.594732 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1084) -1 14.785947 -1.239991 -16.674442 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1084) -1 15.677720 -1.411744 -17.865143 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1085) -1 -4.426396 -5.133379 21.277185 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1085) -1 -5.247903 -4.701931 21.608753 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1085) -1 -3.873618 -4.331789 21.134088 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1086) -1 6.428985 -9.440764 1.147188 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1086) -1 6.258136 -8.682121 1.759097 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1086) -1 6.684049 -10.119293 1.805343 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1087) -1 0.261474 9.387151 2.644491 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1087) -1 0.858246 8.718436 3.080784 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1087) -1 0.362382 10.109750 3.325046 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1089) -1 -17.280973 -22.181743 -0.527173 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1089) -1 -16.856547 -21.328295 -0.722737 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1089) -1 -16.530333 -22.644029 -0.077085 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1090) -1 -20.469385 8.730098 6.139293 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1090) -1 -20.999482 8.137322 5.542624 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1090) -1 -20.187502 8.062070 6.804531 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1091) -1 -26.601618 -19.619567 -2.934568 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1091) -1 -27.052469 -18.735853 -2.995539 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1091) -1 -25.763527 -19.317747 -2.501106 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1092) -1 -24.026577 -0.840731 -10.950094 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1092) -1 -24.063187 -1.719049 -10.514994 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1092) -1 -24.915245 -0.500299 -10.733242 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1093) -1 -15.099770 13.785561 -8.771949 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1093) -1 -16.017032 13.407983 -8.870577 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1093) -1 -14.873919 13.859661 -9.729712 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1094) -1 -13.024430 19.536131 -13.822838 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1094) -1 -12.143117 19.092751 -13.914383 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1094) -1 -13.574716 18.725493 -13.666486 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1095) -1 -27.517429 2.584399 -6.004778 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1095) -1 -28.317908 2.240200 -5.553210 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1095) -1 -27.417856 1.883918 -6.698064 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1096) -1 -22.894902 2.480004 10.925563 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1096) -1 -23.424926 2.474108 10.081877 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1096) -1 -23.504729 2.004017 11.506657 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1097) -1 27.395476 12.024842 -6.592480 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1097) -1 27.446416 11.582965 -7.475649 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1097) -1 27.412449 11.206612 -6.025375 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1098) -1 25.169797 -6.505683 -18.320308 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1098) -1 24.552472 -6.998492 -17.742458 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1098) -1 25.085900 -5.606447 -17.951499 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1099) -1 -23.130704 -25.239651 -6.571589 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1099) -1 -22.251083 -25.156770 -7.010712 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1099) -1 -23.068641 -24.479100 -5.949725 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1100) -1 -17.014923 30.817366 -5.794045 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1100) -1 -16.265317 31.192347 -5.276022 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1100) -1 -16.513542 30.487546 -6.577930 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1101) -1 -13.699323 -17.582851 19.162560 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1101) -1 -13.142514 -18.168129 19.688829 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1101) -1 -13.466506 -17.869551 18.248593 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1102) -1 -2.290492 -8.490980 20.445883 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1102) -1 -1.898459 -9.368324 20.354223 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1102) -1 -1.667718 -7.945391 19.920835 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1103) -1 25.516082 8.001405 -5.533678 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1103) -1 24.844245 8.304452 -4.888167 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1103) -1 25.222812 7.084025 -5.688001 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1104) -1 -10.047824 -16.655318 14.886805 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1104) -1 -10.480624 -17.076090 14.093694 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1104) -1 -9.188024 -17.136779 14.862181 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1105) -1 -29.114976 0.398866 -5.255410 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1105) -1 -28.686426 0.367129 -6.141993 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1105) -1 -29.587240 -0.475812 -5.293333 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1106) -1 -22.756819 12.000790 -6.442859 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1106) -1 -23.651522 12.333814 -6.295546 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1106) -1 -22.218783 12.799858 -6.248808 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1107) -1 35.078009 -0.583362 8.785240 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1107) -1 34.773799 0.117871 8.163213 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1107) -1 35.133013 -1.341091 8.156319 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1108) -1 27.271891 4.814481 -13.684201 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1108) -1 27.225885 4.090113 -14.330472 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1108) -1 26.420162 4.630480 -13.185154 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1109) -1 8.528033 -14.481365 -4.874169 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1109) -1 8.684730 -15.164940 -5.569824 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1109) -1 7.559267 -14.465490 -4.854375 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1110) -1 -20.919611 14.610280 -0.323375 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1110) -1 -20.637577 14.571376 -1.272879 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1110) -1 -20.019653 14.626430 0.086749 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1111) -1 -10.787784 19.362197 4.036179 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1111) -1 -10.728818 18.560903 3.485216 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1111) -1 -11.680769 19.683675 3.805875 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1112) -1 23.000608 -16.804878 7.762430 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1112) -1 22.658508 -16.503679 6.895836 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1112) -1 23.933787 -16.946085 7.562385 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1113) -1 -13.634475 27.025123 5.361306 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1113) -1 -13.439061 26.094586 5.640952 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1113) -1 -13.275603 27.509695 6.120766 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1114) -1 -17.416371 -22.190160 5.662983 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1114) -1 -17.820813 -21.676096 4.925344 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1114) -1 -18.086459 -22.866400 5.809712 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1115) -1 17.139140 -15.387810 7.620162 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1115) -1 18.081297 -15.274558 7.365922 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1115) -1 16.885025 -16.116539 7.004435 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1116) -1 16.026940 17.837084 -7.205343 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1116) -1 15.305894 18.452376 -6.978429 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1116) -1 15.710242 17.023746 -6.753201 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1117) -1 -7.195454 10.100222 12.622493 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1117) -1 -7.197116 9.698866 13.517618 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1117) -1 -7.080818 9.300694 12.069719 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1118) -1 10.488128 1.217783 12.156203 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1118) -1 9.563466 1.490613 12.351990 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1118) -1 10.302786 0.394913 11.636129 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1119) -1 -30.921363 -14.132334 -4.033058 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1119) -1 -31.435360 -13.316485 -4.149913 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1119) -1 -30.439073 -14.140721 -4.910592 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1120) -1 15.880759 -17.875020 0.548324 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1120) -1 16.641435 -17.291972 0.789486 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1120) -1 16.230144 -18.222272 -0.312667 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1121) -1 30.755374 6.103686 9.354028 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1121) -1 30.233786 6.542064 10.073641 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1121) -1 30.021696 5.863933 8.747041 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1122) -1 -11.623944 1.137913 -15.050972 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1122) -1 -11.601452 0.162137 -14.962064 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1122) -1 -12.474132 1.317878 -14.569738 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1123) -1 7.800266 -7.609268 -0.412883 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1123) -1 8.117701 -7.980297 -1.268134 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1123) -1 7.465575 -8.420764 0.015806 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1124) -1 33.589361 1.879296 -0.224732 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1124) -1 32.979223 1.374363 0.368708 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1124) -1 32.927754 2.194288 -0.887776 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1125) -1 -16.774974 27.733987 -0.209547 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1125) -1 -17.078263 26.832373 -0.467973 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1125) -1 -17.536003 27.996420 0.362459 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1126) -1 -8.014083 3.753705 13.619222 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1126) -1 -7.489104 2.960729 13.349352 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1126) -1 -7.457515 4.034579 14.392492 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1127) -1 6.313286 -2.123408 -8.926013 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1127) -1 6.138472 -2.942179 -8.378329 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1127) -1 5.711727 -1.508911 -8.440083 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1128) -1 33.817470 2.009712 11.597530 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1128) -1 33.422749 2.067406 10.705808 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1128) -1 34.426313 1.249541 11.474898 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1129) -1 28.937370 -1.951753 16.870308 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1129) -1 29.064757 -2.054295 15.888600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1129) -1 28.011604 -1.631033 16.859568 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1130) -1 -7.020230 12.564865 -3.411978 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1130) -1 -7.058367 13.504690 -3.168791 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1130) -1 -6.210473 12.295381 -2.900201 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1131) -1 1.626363 -14.406320 -4.684184 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1131) -1 1.233527 -14.757602 -3.853100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1131) -1 2.525325 -14.170639 -4.344299 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1132) -1 20.547858 9.518602 -10.438535 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1132) -1 20.647936 8.864299 -11.179143 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1132) -1 21.089603 9.058193 -9.758451 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1133) -1 -20.204582 6.553589 10.364324 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1133) -1 -20.045720 6.610903 9.385391 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1133) -1 -20.482368 5.612403 10.417919 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1134) -1 -28.174478 -5.134818 -8.772781 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1134) -1 -27.669345 -4.735406 -8.020640 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1134) -1 -28.124449 -4.408820 -9.415890 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1136) -1 -9.789604 14.790380 5.279449 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1136) -1 -9.265483 15.215595 4.554449 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1136) -1 -10.571017 15.385077 5.283047 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1137) -1 -4.257188 -9.841134 -10.509135 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1137) -1 -4.199908 -8.895069 -10.754885 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1137) -1 -4.585591 -9.725785 -9.568899 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1138) -1 -28.552811 -26.928515 -5.090773 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1138) -1 -28.068344 -27.645271 -5.548321 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1138) -1 -27.986215 -26.835151 -4.288824 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1139) -1 24.116162 12.414710 -10.760186 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1139) -1 23.145721 12.276169 -10.576718 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1139) -1 24.210194 13.288331 -10.298551 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1140) -1 -16.065330 18.505411 5.964751 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1140) -1 -15.934912 17.559786 6.232538 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1140) -1 -15.275787 18.605393 5.388510 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1141) -1 -11.832102 11.477809 -7.768454 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1141) -1 -11.941977 11.030929 -8.641682 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1141) -1 -11.692367 10.677111 -7.204073 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1142) -1 2.042233 -9.837184 3.693111 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1142) -1 1.559567 -9.612138 4.508322 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1142) -1 2.036700 -10.815220 3.730922 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1143) -1 -7.882167 13.651439 15.871686 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1143) -1 -7.372837 12.938863 16.348442 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1143) -1 -7.901594 13.223599 14.978917 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1144) -1 27.047133 -12.489027 -12.840198 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1144) -1 27.098361 -11.692815 -13.422811 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1144) -1 26.407762 -13.027104 -13.354831 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1145) -1 -14.488707 -25.472726 -0.414655 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1145) -1 -14.825314 -24.679369 0.063810 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1145) -1 -14.600046 -25.148316 -1.345602 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1146) -1 14.356987 -4.322152 -14.997423 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1146) -1 15.112422 -4.891776 -15.270721 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1146) -1 14.765476 -3.437715 -15.104984 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1147) -1 -15.202175 21.123587 -14.010627 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1147) -1 -15.746057 20.457031 -13.516388 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1147) -1 -14.392935 20.567056 -14.148639 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1148) -1 -6.291051 -19.708676 9.323317 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1148) -1 -6.782011 -19.399182 10.125355 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1148) -1 -6.090590 -18.815683 8.927673 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1149) -1 15.203928 20.200427 1.055107 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1149) -1 15.049439 20.547748 0.136562 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1149) -1 15.707436 19.374006 0.792993 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1150) -1 18.983689 -8.442320 15.000742 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1150) -1 19.285105 -7.591094 14.586677 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1150) -1 18.755008 -8.945893 14.206424 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1151) -1 21.488470 5.222332 -12.100949 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1151) -1 21.268162 5.270647 -11.142282 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1151) -1 21.528104 4.263165 -12.232474 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1152) -1 10.541713 10.294265 14.894353 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1152) -1 11.482172 10.351818 15.181664 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1152) -1 10.343063 9.372679 15.119502 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1153) -1 -6.708703 -12.070408 18.700429 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1153) -1 -7.085980 -12.495173 17.880995 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1153) -1 -6.646998 -12.893758 19.253061 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1154) -1 -5.633076 -16.557808 -11.819067 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1154) -1 -5.196200 -16.865920 -10.983320 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1154) -1 -4.907002 -16.765669 -12.450583 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1155) -1 1.823848 -16.138432 5.913358 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1155) -1 2.535839 -15.503102 5.640219 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1155) -1 2.257224 -16.978746 5.687826 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1156) -1 34.873240 4.275702 0.048436 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1156) -1 34.008199 4.718840 0.201391 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1156) -1 34.558000 3.359346 -0.123215 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1157) -1 10.593532 -14.614100 1.770556 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1157) -1 10.397126 -13.792348 1.275813 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1157) -1 10.319000 -14.334293 2.677307 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1158) -1 -4.717047 11.913248 -2.223133 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1158) -1 -4.080185 11.732276 -1.501606 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1158) -1 -4.427269 11.235889 -2.878499 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1159) -1 -2.933871 -19.299935 13.024177 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1159) -1 -3.029803 -19.614414 12.093098 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1159) -1 -3.876448 -19.357014 13.304476 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1160) -1 -17.526762 -9.531041 12.540479 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1160) -1 -18.479814 -9.467116 12.257274 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1160) -1 -17.181440 -10.062273 11.791611 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1161) -1 -14.151937 13.977632 -11.314956 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1161) -1 -13.286070 14.390247 -11.100702 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1161) -1 -13.834044 13.084218 -11.604461 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1162) -1 -27.739662 -20.697633 -7.140202 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1162) -1 -27.871904 -19.715224 -7.178022 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1162) -1 -28.685601 -20.976737 -7.140730 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1163) -1 29.447034 13.128221 0.756900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1163) -1 30.139431 12.456457 0.569168 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1163) -1 29.972584 13.935648 0.802238 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1164) -1 8.143155 -3.925649 7.664630 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1164) -1 7.692363 -3.791996 6.789206 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1164) -1 9.067753 -3.715699 7.381759 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1165) -1 -18.420832 -20.881508 3.538287 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1165) -1 -18.945365 -20.041999 3.518106 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1165) -1 -18.793521 -21.296531 2.713421 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1166) -1 9.988273 14.592264 -11.289893 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1166) -1 10.015145 15.198532 -10.512626 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1166) -1 10.953428 14.366828 -11.339158 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1167) -1 -22.970448 -6.965420 9.986864 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1167) -1 -22.301453 -6.338778 9.605365 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1167) -1 -23.035115 -6.590916 10.885006 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1168) -1 25.489545 13.530244 -5.231676 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1168) -1 26.107799 13.124932 -5.878460 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1168) -1 25.044829 14.191156 -5.805289 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1169) -1 20.828984 -15.623612 -2.836679 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1169) -1 20.676504 -15.873456 -1.897781 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1169) -1 21.254200 -14.740644 -2.699693 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1170) -1 -18.505555 23.569445 2.562503 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1170) -1 -18.175362 22.676217 2.311365 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1170) -1 -19.016727 23.346385 3.368417 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1171) -1 21.479504 4.302606 14.147781 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1171) -1 20.811451 4.734515 13.572472 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1171) -1 22.283524 4.774038 13.874779 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1172) -1 0.354533 11.280730 4.497185 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1172) -1 0.633277 11.358776 5.430030 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1172) -1 -0.146174 12.103055 4.371983 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1173) -1 17.104009 7.479591 -15.059896 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1173) -1 18.040193 7.699678 -14.869270 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1173) -1 16.654199 8.196688 -14.562767 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1174) -1 31.455261 -2.023502 11.425119 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1174) -1 31.971816 -1.498351 12.078349 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1174) -1 31.519231 -1.443531 10.645837 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1175) -1 11.275658 3.281560 -17.536732 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1175) -1 11.388895 2.316322 -17.385462 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1175) -1 12.116014 3.616825 -17.150490 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1176) -1 18.539460 -16.146256 -12.541726 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1176) -1 18.574663 -16.149796 -13.530087 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1176) -1 17.574029 -16.225748 -12.403865 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1177) -1 -8.039245 -13.172003 16.681729 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1177) -1 -8.040327 -14.148806 16.779568 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1177) -1 -8.975352 -12.971373 16.884500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1178) -1 34.348369 -6.838566 4.331276 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1178) -1 34.247474 -5.904259 4.040385 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1178) -1 34.145729 -6.752534 5.277106 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1179) -1 -29.079288 -4.331069 -4.357849 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1179) -1 -28.415980 -4.296015 -3.623718 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1179) -1 -28.804167 -5.173415 -4.777218 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1180) -1 16.604874 -17.777310 -9.123138 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1180) -1 17.586909 -17.647529 -9.084547 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1180) -1 16.397820 -17.704303 -8.166206 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1181) -1 -8.084601 -15.854731 17.261346 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1181) -1 -8.994949 -16.189810 17.388206 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1181) -1 -7.782020 -16.434354 16.529284 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1182) -1 0.815296 -0.583603 13.939917 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1182) -1 -0.045643 -1.053054 13.848742 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1182) -1 0.989352 -0.388701 12.989404 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1183) -1 -14.549151 9.534978 -13.062518 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1183) -1 -15.342189 9.224547 -13.521463 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1183) -1 -14.175520 8.673943 -12.749192 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1184) -1 -16.640991 17.632630 10.450630 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1184) -1 -17.383814 17.333349 9.866169 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1184) -1 -17.006470 17.344980 11.319150 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1185) -1 -9.121092 -20.901201 -6.851968 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1185) -1 -9.833525 -21.508517 -7.159942 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1185) -1 -8.433832 -21.573923 -6.616889 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1186) -1 -4.151899 10.042915 -4.089591 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1186) -1 -4.025275 9.115405 -3.763027 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1186) -1 -3.344532 10.089840 -4.672800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1187) -1 -7.397002 -22.676586 -5.809184 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1187) -1 -6.864380 -23.471829 -5.693152 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1187) -1 -7.418408 -22.326014 -4.887760 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1188) -1 -29.919003 20.070582 -2.237278 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1188) -1 -30.681404 19.549124 -2.529873 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1188) -1 -29.494055 19.415356 -1.617899 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1189) -1 -2.173682 -4.101889 -11.538277 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1189) -1 -2.416515 -4.686488 -12.299355 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1189) -1 -1.467807 -4.629842 -11.132529 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1190) -1 1.349804 -3.272608 -6.311412 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1190) -1 1.681496 -2.529094 -6.852343 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1190) -1 1.863997 -3.134795 -5.484590 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1191) -1 -3.518212 10.633105 8.297633 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1191) -1 -4.007063 10.014837 8.887127 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1191) -1 -4.256976 11.243644 8.057506 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1192) -1 25.120066 -8.604932 12.507292 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1192) -1 24.421636 -8.548808 13.206080 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1192) -1 25.448340 -7.677148 12.535824 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1193) -1 -22.719253 5.025700 -14.329997 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1193) -1 -22.619081 4.094748 -14.653223 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1193) -1 -23.166350 4.847598 -13.473943 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1194) -1 14.850018 -20.374557 -1.003072 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1194) -1 14.877613 -20.065220 -0.088142 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1194) -1 15.613723 -19.899284 -1.392142 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1195) -1 -24.547335 2.825706 4.959115 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1195) -1 -23.883123 3.037412 5.657633 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1195) -1 -24.265457 1.893493 4.760356 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1196) -1 -3.001559 3.306377 -11.889759 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1196) -1 -2.186935 3.737205 -12.188977 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1196) -1 -2.671486 2.399888 -11.701331 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1197) -1 22.520719 -4.170892 -12.460246 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1197) -1 22.791913 -4.165167 -11.507681 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1197) -1 22.203762 -3.246295 -12.537213 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1198) -1 24.208113 -9.906858 3.438206 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1198) -1 24.058059 -10.408422 2.621919 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1198) -1 24.520331 -10.634222 4.033615 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1199) -1 29.823429 -7.224128 -0.321492 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1199) -1 29.444118 -8.092325 -0.605771 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1199) -1 30.777453 -7.411469 -0.513043 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1200) -1 -14.092966 17.086840 15.691939 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1200) -1 -13.191193 17.463848 15.661602 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1200) -1 -13.881644 16.199667 16.076103 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1201) -1 -23.372453 18.163645 5.910306 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1201) -1 -23.425604 17.580968 6.714548 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1201) -1 -23.891416 17.578010 5.295124 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1202) -1 22.195972 -14.818749 9.601044 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1202) -1 22.229099 -14.392404 8.699543 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1202) -1 22.465173 -15.727514 9.331796 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1203) -1 21.530044 12.052114 -10.211638 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1203) -1 21.085239 11.179931 -10.299292 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1203) -1 20.790495 12.650294 -10.442736 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1204) -1 29.193880 2.301747 -5.950687 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1204) -1 29.410442 1.569874 -6.576637 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1204) -1 28.521163 2.778299 -6.487153 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1205) -1 22.315047 17.488478 -7.529340 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1205) -1 22.040336 18.410930 -7.295145 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1205) -1 21.434041 17.046712 -7.418846 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1206) -1 -15.962058 -0.743997 17.405334 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1206) -1 -16.347709 -0.381391 16.566429 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1206) -1 -16.602505 -1.497051 17.528745 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1207) -1 26.996579 -0.688612 -8.334842 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1207) -1 26.508807 -1.293666 -8.957064 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1207) -1 26.895252 0.147690 -8.879380 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1208) -1 -6.915007 -19.205730 0.457471 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1208) -1 -6.209504 -18.789877 1.001774 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1208) -1 -7.298612 -19.823315 1.119246 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1209) -1 -1.179593 -15.182863 15.163380 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1209) -1 -1.718164 -15.714960 14.518613 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1209) -1 -1.116703 -15.821481 15.890858 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1210) -1 -19.331312 -4.894716 16.948279 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1210) -1 -20.250514 -5.076631 16.672141 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1210) -1 -18.928997 -5.777910 16.778806 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1211) -1 -11.768062 9.125293 3.660530 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1211) -1 -12.393879 8.820148 2.955619 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1211) -1 -10.971599 9.279971 3.110923 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1212) -1 24.965114 -11.220749 -3.391424 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1212) -1 24.758908 -12.046640 -3.902304 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1212) -1 24.035093 -10.934828 -3.209436 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1213) -1 21.955483 -0.118469 -14.820162 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1213) -1 22.174831 0.502151 -14.097699 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1213) -1 21.215709 -0.615306 -14.422737 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1214) -1 -7.624592 21.907904 2.655466 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1214) -1 -6.711692 21.710825 2.930014 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1214) -1 -8.105176 21.589478 3.471630 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1215) -1 27.743679 4.810127 -0.374383 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1215) -1 27.446505 4.994603 0.546124 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1215) -1 28.683273 4.563677 -0.188609 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1216) -1 6.299924 -3.422905 2.635816 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1216) -1 6.455371 -4.248827 2.118402 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1216) -1 5.463638 -3.123043 2.192682 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1217) -1 8.624459 -8.608048 -2.800543 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1217) -1 8.385279 -7.993128 -3.523723 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1217) -1 9.243901 -9.201618 -3.248391 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1218) -1 -4.372880 0.933227 -10.038455 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1218) -1 -3.487969 0.881987 -10.484853 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1218) -1 -4.075049 1.288299 -9.165374 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1219) -1 25.159709 -1.773278 -9.972452 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1219) -1 24.541977 -1.018900 -9.882032 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1219) -1 24.541312 -2.516961 -10.092144 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1220) -1 13.402078 -4.759242 17.997485 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1220) -1 12.793988 -4.121020 17.607947 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1220) -1 14.051686 -4.865959 17.261066 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1221) -1 -20.468836 -7.563141 7.604445 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1221) -1 -20.621070 -6.735041 8.119043 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1221) -1 -19.789461 -7.254079 6.974780 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1222) -1 -24.289613 -3.206217 6.243870 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1222) -1 -23.800570 -2.647085 5.579528 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1222) -1 -23.572077 -3.841477 6.459644 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1223) -1 27.602392 7.504224 -13.705370 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1223) -1 27.507789 6.533294 -13.869932 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1223) -1 26.824267 7.816195 -14.238309 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1224) -1 -15.624325 6.945246 13.369483 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1224) -1 -16.367683 6.993200 12.726229 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1224) -1 -15.539840 5.966056 13.441880 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1225) -1 15.507340 17.654949 6.707687 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1225) -1 15.423790 17.550998 5.725374 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1225) -1 15.630799 16.718580 6.960368 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1226) -1 -27.595019 0.246691 -2.985306 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1226) -1 -28.246208 0.335520 -3.720612 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1226) -1 -27.515235 -0.720483 -2.937437 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1227) -1 13.297783 -13.358452 7.984146 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1227) -1 14.292281 -13.396934 7.963333 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1227) -1 13.212468 -12.576376 8.590304 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1228) -1 -9.693567 -14.610487 20.739361 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1228) -1 -10.121523 -14.276848 21.536621 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1228) -1 -10.417668 -14.515842 20.080146 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1229) -1 -22.804059 -18.401672 3.472217 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1229) -1 -23.009308 -19.180129 4.012684 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1229) -1 -22.534984 -17.763106 4.177443 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1230) -1 13.270027 4.307839 14.043955 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1230) -1 12.852508 3.421453 14.127919 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1230) -1 12.496529 4.840525 13.769839 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1231) -1 -20.747655 26.142894 -8.645400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1231) -1 -20.115492 25.407343 -8.818218 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1231) -1 -21.584872 25.692840 -8.898263 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1232) -1 24.894383 -12.716888 -7.034540 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1232) -1 25.722747 -13.224562 -7.200464 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1232) -1 24.736552 -12.368504 -7.937886 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1233) -1 -24.590345 -8.106072 0.729695 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1233) -1 -24.713179 -7.129929 0.728757 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1233) -1 -23.648137 -8.143947 1.016194 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1234) -1 -11.622784 -9.996500 16.426095 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1234) -1 -11.916564 -9.411115 15.711197 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1234) -1 -11.287087 -9.332006 17.076263 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1235) -1 -14.434746 17.271953 -13.301553 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1235) -1 -15.090975 16.543957 -13.162917 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1235) -1 -13.607631 16.726041 -13.281330 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1236) -1 -22.612498 24.330918 -9.670267 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1236) -1 -23.417525 24.401471 -10.204861 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1236) -1 -22.034633 23.818101 -10.292786 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1237) -1 -16.684448 4.087598 -16.015460 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1237) -1 -16.084879 4.248453 -15.264051 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1237) -1 -17.546663 4.333710 -15.633564 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1238) -1 -13.135119 14.638637 16.399874 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1238) -1 -13.772765 13.956399 16.102061 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1238) -1 -12.312452 14.095499 16.438941 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1239) -1 8.242212 -1.409353 8.813847 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1239) -1 8.019529 -2.308003 8.483760 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1239) -1 8.095926 -0.890260 7.989099 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1240) -1 22.858048 1.333752 -12.551287 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1240) -1 23.471726 0.561878 -12.645833 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1240) -1 23.498479 1.965029 -12.126293 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1241) -1 5.758229 11.172969 -5.633783 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1241) -1 6.389528 11.529083 -4.956094 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1241) -1 6.317867 11.337887 -6.440371 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1242) -1 -23.306893 -20.496279 0.086588 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1242) -1 -23.695395 -21.332306 0.444260 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1242) -1 -22.439903 -20.859116 -0.224325 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1243) -1 -12.872821 29.704835 -12.924408 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1243) -1 -13.348908 30.536886 -12.705571 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1243) -1 -12.837514 29.296844 -12.026418 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1244) -1 -12.604156 -17.452593 -13.060885 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1244) -1 -11.735030 -17.767421 -13.421372 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1244) -1 -13.105769 -17.392083 -13.912022 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1245) -1 -14.281844 -17.597521 -15.152528 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1245) -1 -14.837521 -18.333313 -14.821268 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1245) -1 -14.911154 -17.170125 -15.772817 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1246) -1 -15.511731 19.801162 2.366097 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1246) -1 -14.772921 19.949601 2.987841 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1246) -1 -15.495451 18.817582 2.310105 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1247) -1 25.042490 -11.098564 13.680581 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1247) -1 24.305318 -10.772335 14.223525 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1247) -1 25.340324 -10.266090 13.259041 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1248) -1 -22.879409 6.811623 -9.561715 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1248) -1 -22.894478 6.457378 -8.633908 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1248) -1 -23.641615 6.309926 -9.923161 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1249) -1 3.080141 -13.421735 12.584343 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1249) -1 2.309660 -13.382963 13.194188 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1249) -1 2.817740 -14.196226 12.036864 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1250) -1 10.359952 -16.524402 5.170953 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1250) -1 10.501624 -17.110066 4.381097 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1250) -1 11.101101 -16.849383 5.732760 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1251) -1 -6.821038 13.195461 3.464739 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1251) -1 -7.482991 12.730729 2.903733 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1251) -1 -6.107964 12.527824 3.483076 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1252) -1 -10.490542 -18.551988 6.185755 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1252) -1 -11.164781 -18.447007 6.893506 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1252) -1 -9.785733 -19.011894 6.683481 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1253) -1 37.396237 -3.955538 0.523539 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1253) -1 37.693723 -4.102428 1.449185 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1253) -1 36.775436 -4.714953 0.427890 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1254) -1 -11.246475 -20.843092 12.384910 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1254) -1 -11.368809 -21.248926 11.508336 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1254) -1 -10.755597 -20.024186 12.120257 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1255) -1 23.517670 8.892424 -12.233121 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1255) -1 22.541932 8.731961 -12.222577 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1255) -1 23.801766 8.003469 -12.567556 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1256) -1 15.116246 17.513289 4.112649 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1256) -1 15.917786 17.605037 3.527784 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1256) -1 14.554372 18.214627 3.697141 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1257) -1 -30.856415 -15.005347 -10.671856 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1257) -1 -30.611530 -15.453443 -11.505312 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1257) -1 -30.277912 -14.219530 -10.711372 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1258) -1 10.963732 -17.866545 -5.515625 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1258) -1 11.279510 -18.243021 -6.375743 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1258) -1 10.205471 -17.337310 -5.851201 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1259) -1 13.499425 4.495057 -16.518242 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1259) -1 14.421479 4.166065 -16.417411 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1259) -1 13.450390 5.071966 -15.712361 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1260) -1 27.313308 9.679670 7.156075 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1260) -1 28.009082 9.024844 6.921025 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1260) -1 26.794500 9.663701 6.312199 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1261) -1 -10.136711 1.668988 20.262542 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1261) -1 -9.813347 2.079408 19.430998 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1261) -1 -10.806852 1.046400 19.881778 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1262) -1 -19.807202 24.143961 0.317698 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1262) -1 -20.165952 23.221161 0.291847 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1262) -1 -19.315168 24.070405 1.181176 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1263) -1 -6.824316 -15.296493 0.490937 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1263) -1 -7.623475 -15.228416 -0.065703 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1263) -1 -7.224749 -15.452795 1.372142 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1264) -1 -17.919818 16.679608 12.700114 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1264) -1 -18.823672 16.965675 12.895521 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1264) -1 -18.075201 15.713345 12.532338 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1265) -1 2.563398 -12.570225 3.648261 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1265) -1 3.530381 -12.341351 3.634234 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1265) -1 2.611023 -13.369044 4.217698 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1266) -1 -12.926385 -18.026399 16.625184 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1266) -1 -13.475758 -17.391939 16.109256 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1266) -1 -12.649070 -18.619750 15.872733 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1267) -1 -18.832693 9.435028 4.031170 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1267) -1 -18.072900 10.023089 4.249139 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1267) -1 -19.204117 9.294731 4.928469 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1268) -1 -7.544888 -20.835365 4.835683 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1268) -1 -7.861460 -21.752903 5.013115 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1268) -1 -7.667162 -20.447090 5.729764 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1269) -1 10.010310 -14.242455 -2.613655 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1269) -1 10.512621 -15.090687 -2.681544 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1269) -1 9.468085 -14.319515 -3.434665 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1270) -1 -10.414879 11.292616 14.769856 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1270) -1 -10.357190 10.355711 15.088033 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1270) -1 -11.396434 11.324260 14.604753 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1271) -1 -9.191989 26.635007 -10.631379 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1271) -1 -8.723550 26.428683 -11.472640 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1271) -1 -8.593479 26.160075 -10.000847 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1272) -1 -2.520336 -12.801767 14.793094 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1272) -1 -2.141532 -13.642610 15.141673 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1272) -1 -2.277708 -12.912509 13.839531 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1273) -1 3.604689 6.490301 -5.872388 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1273) -1 3.711768 5.565525 -6.202480 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1273) -1 2.626697 6.469610 -5.706462 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1275) -1 -15.140770 -19.403500 7.397987 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1275) -1 -15.657867 -18.567376 7.278038 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1275) -1 -15.061233 -19.393412 8.375727 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1276) -1 -23.711403 -6.176426 17.015689 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1276) -1 -22.813875 -6.353347 16.637801 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1276) -1 -24.229442 -6.096391 16.203421 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1277) -1 -19.327934 -15.985915 -14.746904 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1277) -1 -19.026164 -16.906437 -14.916105 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1277) -1 -18.709615 -15.782693 -13.976198 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1278) -1 -26.612962 -26.847321 -3.151151 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1278) -1 -26.552412 -26.089854 -2.528314 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1278) -1 -25.761953 -26.735700 -3.633863 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1279) -1 8.771895 0.068549 -17.381325 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1279) -1 8.325438 0.494783 -16.618467 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1279) -1 8.559842 -0.871221 -17.208532 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1280) -1 26.999508 -10.277675 -14.389337 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1280) -1 26.645775 -9.426500 -14.025805 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1280) -1 26.664197 -10.192714 -15.314004 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1281) -1 -7.651367 20.018225 -11.122675 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1281) -1 -7.585192 19.885268 -12.097714 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1281) -1 -8.602518 19.794456 -10.999097 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1282) -1 -30.128538 -21.702365 -2.554613 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1282) -1 -29.509303 -21.348428 -1.869294 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1282) -1 -30.656220 -20.888185 -2.722232 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1284) -1 10.650019 14.348871 8.979177 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1284) -1 9.974225 14.995969 8.738017 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1284) -1 11.433724 14.718108 8.502432 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1285) -1 -23.811230 3.679129 -3.150039 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1285) -1 -23.167187 3.349077 -3.841316 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1285) -1 -24.572237 3.080628 -3.386388 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1286) -1 -20.738433 10.344051 12.531645 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1286) -1 -20.782282 11.321779 12.588532 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1286) -1 -20.094093 10.161562 13.251038 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1287) -1 -10.487233 -19.140867 1.324960 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1287) -1 -10.991162 -19.062891 2.184245 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1287) -1 -9.718868 -19.664983 1.677825 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1288) -1 11.256667 -16.634148 -3.007244 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1288) -1 11.093812 -17.173818 -3.811479 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1288) -1 11.242785 -17.339121 -2.321691 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1289) -1 33.146344 7.941731 5.983288 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1289) -1 33.558084 8.458852 5.250486 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1289) -1 32.409600 7.522999 5.484364 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1290) -1 13.771366 -13.629307 5.248409 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1290) -1 13.534264 -13.574230 6.196481 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1290) -1 14.324286 -12.823692 5.160317 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1291) -1 16.784767 22.985321 6.423649 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1291) -1 16.725685 23.113481 5.456070 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1291) -1 16.574992 22.033206 6.491177 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1292) -1 -10.157682 -16.751473 -6.167165 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1292) -1 -10.936985 -16.195191 -5.918058 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1292) -1 -10.359519 -16.870528 -7.129461 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1293) -1 -25.166219 2.121819 -9.534845 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1293) -1 -24.553260 1.605004 -8.966807 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1293) -1 -25.743957 1.401374 -9.861764 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1294) -1 -0.597461 -15.678655 4.802682 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1294) -1 0.303447 -15.797497 5.194270 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1294) -1 -1.034600 -16.475285 5.201839 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1295) -1 8.049085 1.349668 -10.833702 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1295) -1 7.347377 0.680665 -11.008525 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1295) -1 8.840722 0.774317 -10.895301 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1296) -1 -0.941225 -1.691548 -11.047587 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1296) -1 -1.517868 -2.387519 -11.447432 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1296) -1 -0.476502 -2.268733 -10.380041 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1297) -1 20.004094 10.767340 -14.802587 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1297) -1 19.618977 10.988828 -13.924249 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1297) -1 20.617028 11.534935 -14.905495 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1298) -1 -9.036178 -18.005815 -0.615318 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1298) -1 -8.184781 -18.368741 -0.253172 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1298) -1 -9.640082 -18.311731 0.109072 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1299) -1 19.069024 11.093971 -12.254111 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1299) -1 19.535820 10.474386 -11.650533 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1299) -1 18.137468 10.859581 -12.045828 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1300) -1 -1.501896 -16.359886 8.663763 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1300) -1 -2.351497 -16.614061 9.108889 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1300) -1 -1.833772 -15.609002 8.112584 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1301) -1 -8.694737 24.827928 -5.059593 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1301) -1 -8.271807 25.526328 -5.612511 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1301) -1 -8.018935 24.116163 -5.156085 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1302) -1 -21.772719 16.766547 1.101109 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1302) -1 -21.572429 16.020241 0.476665 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1302) -1 -20.871492 16.817937 1.527593 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1303) -1 -10.011430 17.882921 -3.196929 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1303) -1 -10.056078 16.919490 -2.994683 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1303) -1 -9.236604 18.133125 -2.645673 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1304) -1 -18.700433 10.115844 -1.733027 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1304) -1 -19.374832 9.886556 -1.058753 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1304) -1 -18.062295 10.615226 -1.185864 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1305) -1 23.129028 -8.701683 14.305686 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1305) -1 22.376398 -8.294101 13.794501 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1305) -1 22.644201 -8.844540 15.159463 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1306) -1 -12.926888 29.820993 -3.402500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1306) -1 -12.240573 29.486144 -4.035180 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1306) -1 -12.489504 29.525947 -2.559228 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1307) -1 -19.787359 6.623324 7.738088 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1307) -1 -20.263021 6.090755 7.058873 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1307) -1 -18.887930 6.646851 7.357224 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1308) -1 19.157778 16.363085 -2.439160 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1308) -1 18.784242 15.453794 -2.470183 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1308) -1 19.375241 16.483341 -3.398750 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1309) -1 14.286335 12.571044 16.124960 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1309) -1 15.113157 12.828752 15.662688 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1309) -1 13.632238 13.068030 15.582390 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1310) -1 8.009611 13.418996 -9.733423 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1310) -1 8.760831 13.302669 -9.100357 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1310) -1 8.507572 13.791330 -10.495706 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1311) -1 2.956874 -4.263014 16.514414 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1311) -1 3.897001 -4.284097 16.736852 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1311) -1 2.947718 -3.561386 15.820288 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1312) -1 32.690771 11.698020 -3.761243 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1312) -1 33.329001 11.283337 -3.134161 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1312) -1 31.884444 11.696023 -3.204309 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1313) -1 -10.736031 18.102846 -13.586673 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1313) -1 -9.921776 17.867084 -14.057262 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1313) -1 -11.160696 17.213620 -13.500452 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1314) -1 -10.545634 -22.342559 3.040910 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1314) -1 -11.186975 -22.627907 2.350246 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1314) -1 -11.188171 -22.022380 3.723750 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1315) -1 18.535151 -4.550392 -16.990817 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1315) -1 18.873254 -5.465338 -17.116762 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1315) -1 17.730386 -4.760400 -16.454888 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1316) -1 -21.211818 10.062025 -5.084107 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1316) -1 -21.710796 9.299990 -4.696628 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1316) -1 -21.946873 10.548967 -5.506872 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1317) -1 -12.387169 10.058154 -10.029367 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1317) -1 -12.995735 9.638750 -9.365009 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1317) -1 -11.919598 9.244530 -10.327524 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1318) -1 -20.986135 26.529994 -0.110317 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1318) -1 -20.582319 25.654423 0.100487 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1318) -1 -20.692251 26.622393 -1.045900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1319) -1 23.053753 -15.537433 -11.164490 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1319) -1 22.888824 -15.165040 -12.061435 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1319) -1 22.275095 -16.139606 -11.097637 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1320) -1 4.409225 13.471753 -5.102525 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1320) -1 4.782783 12.613226 -5.403888 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1320) -1 3.606498 13.149048 -4.640753 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1321) -1 -9.262675 14.447355 0.849474 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1321) -1 -10.175385 14.377901 0.498872 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1321) -1 -9.134447 13.533454 1.185443 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1322) -1 -23.527210 -3.019943 2.477510 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1322) -1 -23.973384 -2.339183 1.918966 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1322) -1 -23.388390 -2.471265 3.297137 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1323) -1 2.767232 -2.427630 14.510662 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1323) -1 2.200927 -1.615981 14.499757 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1323) -1 3.128899 -2.356051 13.586732 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1324) -1 -30.383589 -21.260390 -6.852819 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1324) -1 -30.472464 -20.324032 -6.552440 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1324) -1 -30.918801 -21.699332 -6.147267 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1325) -1 -12.579714 16.164441 -4.657572 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1325) -1 -11.897184 15.749082 -5.241116 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1325) -1 -12.582010 17.067684 -5.031895 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1326) -1 -2.280081 10.376619 2.212707 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1326) -1 -1.415768 9.918416 2.151741 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1326) -1 -2.472217 10.526236 1.263629 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1327) -1 -6.087921 21.640567 -9.741922 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1327) -1 -5.243843 21.163335 -9.792152 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1327) -1 -6.683971 20.969856 -10.173135 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1328) -1 -22.929228 -9.958187 -10.946529 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1328) -1 -22.339435 -10.545073 -11.476234 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1328) -1 -22.390968 -9.136402 -10.955353 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1329) -1 -12.103094 15.848077 -13.145757 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1329) -1 -11.952230 15.620257 -12.190897 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1329) -1 -12.050527 14.923163 -13.514233 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1330) -1 28.090323 -11.832047 -6.170064 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1330) -1 27.902511 -12.652765 -6.673339 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1330) -1 27.469639 -11.213863 -6.598342 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1331) -1 -22.592697 19.865698 8.171592 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1331) -1 -22.897772 19.575115 7.294053 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1331) -1 -21.690450 20.187810 7.960298 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1332) -1 17.270833 5.881835 -17.278033 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1332) -1 17.153062 6.524164 -16.538141 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1332) -1 16.905374 5.075883 -16.853395 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1333) -1 -13.031733 2.813203 18.152754 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1333) -1 -12.819689 3.169666 19.042239 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1333) -1 -13.991117 2.624802 18.268946 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1334) -1 -12.276329 15.970306 5.392702 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1334) -1 -12.458208 16.003591 6.357298 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1334) -1 -12.894713 15.251923 5.126641 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1335) -1 -27.726190 -17.154775 -2.731629 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1335) -1 -28.489173 -17.074003 -3.353104 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1335) -1 -27.855656 -16.323559 -2.219717 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1336) -1 -17.276469 -9.571876 15.231458 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1336) -1 -17.357331 -9.558610 14.249388 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1336) -1 -17.017596 -10.487034 15.386074 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1337) -1 28.658456 3.422896 -9.853991 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1337) -1 28.683575 4.226537 -10.432836 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1337) -1 29.608149 3.253942 -9.754169 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1338) -1 -2.396907 -18.561545 0.843921 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1338) -1 -3.327020 -18.434470 1.107487 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1338) -1 -2.384898 -19.494951 0.598043 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1339) -1 -23.551805 16.098023 7.690149 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1339) -1 -22.922459 15.347094 7.827484 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1339) -1 -24.324380 15.582746 7.355632 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1340) -1 31.613793 12.714858 -5.987498 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1340) -1 32.104455 12.395369 -5.190524 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1340) -1 31.974970 12.133381 -6.667320 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1341) -1 -11.876908 28.672023 -1.190896 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1341) -1 -12.629105 28.662790 -0.553134 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1341) -1 -11.404618 27.859044 -0.887875 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1342) -1 -6.079836 -10.860898 -12.360927 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1342) -1 -5.710203 -11.637937 -12.807698 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1342) -1 -5.334863 -10.564913 -11.809622 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1343) -1 -11.189516 28.650777 -5.080304 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1343) -1 -11.023081 27.705706 -5.314261 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1343) -1 -10.469880 28.766334 -4.403917 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1344) -1 -15.963531 4.204908 16.718387 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1344) -1 -16.812928 4.336788 16.242067 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1344) -1 -16.203242 3.483370 17.326622 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1345) -1 16.733789 17.622919 -2.017328 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1345) -1 17.681712 17.349158 -2.024596 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1345) -1 16.653749 17.844413 -1.046408 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1346) -1 33.751231 9.104250 3.595303 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1346) -1 33.100477 9.803717 3.341428 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1346) -1 33.506308 8.419569 2.924428 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1347) -1 -18.961542 26.778632 -14.847990 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1347) -1 -19.266604 25.927890 -15.245384 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1347) -1 -18.859610 26.492444 -13.917230 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1348) -1 -18.126496 6.732620 12.144120 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1348) -1 -18.359971 5.779295 12.293247 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1348) -1 -18.805779 6.934719 11.452429 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1349) -1 -7.590907 -21.775581 -3.281282 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1349) -1 -8.268337 -21.125511 -2.947893 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1349) -1 -6.786588 -21.307510 -2.932783 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1350) -1 -10.366571 -8.433573 18.221542 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1350) -1 -9.816234 -9.140999 18.632186 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1350) -1 -10.147044 -7.693557 18.841756 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1351) -1 26.117848 14.050346 10.412858 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1351) -1 26.216346 13.551768 9.581493 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1351) -1 25.170818 14.312017 10.356501 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1352) -1 22.315884 -15.461996 5.377922 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1352) -1 21.476761 -15.166086 4.957049 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1352) -1 22.361150 -14.785608 6.108132 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1353) -1 9.892914 12.528706 -2.622083 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1353) -1 10.128254 12.630536 -1.661628 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1353) -1 10.785029 12.276214 -2.963742 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1354) -1 14.705616 9.921770 13.313084 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1354) -1 15.684806 10.025933 13.342748 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1354) -1 14.483395 10.800072 12.894171 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1355) -1 11.032767 -6.130827 6.061310 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1355) -1 11.293371 -7.045870 5.811414 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1355) -1 10.499060 -6.328168 6.869149 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1356) -1 30.572342 -7.951894 -4.039493 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1356) -1 29.713119 -7.593889 -3.729150 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1356) -1 30.316184 -8.891047 -4.184204 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1357) -1 -1.956224 -13.462050 -4.566815 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1357) -1 -2.792538 -13.544467 -4.070552 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1357) -1 -1.652369 -14.397883 -4.541591 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1358) -1 11.527031 15.292646 3.118179 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1358) -1 12.343855 15.131236 3.670373 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1358) -1 11.379749 16.239584 3.399621 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1359) -1 20.934624 5.683456 -9.440118 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1359) -1 20.214685 5.795214 -8.796246 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1359) -1 21.419476 6.532722 -9.308705 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1360) -1 22.196315 -15.370242 -5.305802 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1360) -1 21.691817 -15.712209 -6.063705 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1360) -1 21.677979 -15.710898 -4.555320 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1361) -1 21.107412 12.642928 12.476254 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1361) -1 20.390062 13.041520 13.035062 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1361) -1 21.076462 13.302515 11.731273 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1362) -1 22.554123 -14.130281 -13.436547 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1362) -1 22.274674 -13.206833 -13.684990 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1362) -1 21.860202 -14.616949 -13.983820 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1363) -1 11.398151 0.593570 -17.336466 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1363) -1 10.425914 0.481789 -17.524603 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1363) -1 11.506000 -0.174815 -16.723395 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1364) -1 24.104119 -1.908972 -15.221258 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1364) -1 23.344507 -1.294685 -15.300573 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1364) -1 24.431748 -1.656418 -14.331575 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1365) -1 -19.665044 18.701363 -10.208970 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1365) -1 -19.289044 18.373729 -11.054468 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1365) -1 -19.518954 17.896745 -9.654508 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1366) -1 6.926206 -7.455140 -11.169548 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1366) -1 6.554234 -7.032680 -10.360643 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1366) -1 7.639405 -7.990470 -10.758331 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1367) -1 -7.451967 -17.396928 14.916892 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1367) -1 -7.330641 -16.927157 14.048894 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1367) -1 -6.814931 -18.133323 14.769974 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1368) -1 -6.694232 22.912786 -5.087797 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1368) -1 -5.838394 22.999940 -4.635645 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1368) -1 -7.057683 22.123758 -4.609928 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1369) -1 -26.457559 -24.403119 -1.909904 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1369) -1 -25.722710 -23.904454 -2.354071 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1369) -1 -27.206258 -24.102413 -2.482261 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1370) -1 12.029894 8.263217 9.661681 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1370) -1 12.570894 7.981746 10.437500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1370) -1 11.640502 7.388645 9.415776 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1371) -1 -15.834997 13.654728 -0.038342 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1371) -1 -14.959180 13.294972 -0.365828 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1371) -1 -16.351318 12.808557 -0.120755 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1372) -1 -6.623717 4.240559 15.862942 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1372) -1 -5.830514 3.680702 16.017632 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1372) -1 -6.966260 4.301921 16.783310 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1373) -1 21.314264 -8.903949 16.312844 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1373) -1 20.459606 -8.787993 15.833465 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1373) -1 21.022075 -8.814955 17.228496 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1374) -1 -17.841314 12.385354 -5.729995 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1374) -1 -18.036864 11.843117 -6.525897 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1374) -1 -16.874381 12.217380 -5.644279 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1375) -1 28.875822 -9.553018 -1.438548 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1375) -1 29.235370 -10.013188 -2.233672 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1375) -1 28.108743 -10.158406 -1.254936 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1376) -1 -10.381032 -21.587014 7.151877 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1376) -1 -9.547932 -21.056061 7.170483 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1376) -1 -10.711238 -21.363784 8.060344 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1377) -1 31.682766 3.009824 -1.825942 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1377) -1 30.898259 2.826179 -2.407216 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1377) -1 32.088329 3.736359 -2.360828 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1378) -1 -12.107377 20.873762 8.732448 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1378) -1 -13.077470 20.977593 8.619120 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1378) -1 -12.100784 20.433259 9.621088 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1379) -1 -2.041112 9.670722 -5.646163 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1379) -1 -1.185951 9.277061 -5.363607 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1379) -1 -2.390053 8.946008 -6.205872 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1380) -1 -26.976760 -4.440622 -2.668297 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1380) -1 -26.304717 -4.991877 -3.127734 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1380) -1 -26.415726 -4.041321 -1.968807 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1381) -1 -24.337631 -5.980099 19.643623 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1381) -1 -23.423071 -5.833534 19.907224 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1381) -1 -24.239191 -6.079043 18.668070 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1382) -1 -9.927455 17.120066 -9.662995 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1382) -1 -9.042662 16.723268 -9.579806 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1382) -1 -10.073543 17.396552 -8.719802 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1383) -1 -3.976907 -16.993850 -9.755601 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1383) -1 -3.126585 -16.600242 -10.044476 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1383) -1 -3.787772 -17.151980 -8.808053 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1384) -1 18.848991 7.740997 13.330838 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1384) -1 19.338480 8.585663 13.219535 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1384) -1 17.998126 8.062007 13.663467 L 1 944 1.0 2 1.0 3 1.0 4 1.0 2 3 4 5 1.0 6 1.0 7 1.0 5 6 7 8 1.0 9 1.0 8 9 10 1013 1.0 11 1.0 1015 1.0 12 1.0 11 12 13 1.0 14 1.0 13 14 15 1.0 16 1.0 15 16 17 1.0 18 1.0 22 1.0 17 18 19 1.0 20 1.0 21 1.0 19 20 21 22 23 1.0 24 1.0 23 24 25 1.0 26 1.0 25 26 27 1.0 28 1.0 29 1.0 27 28 29 30 1.0 31 1.0 30 31 32 1.0 33 1.0 32 33 34 1.0 35 1.0 46 1.0 34 35 36 1.0 37 1.0 38 1.0 36 37 38 39 1.0 44 1.0 39 40 1.0 41 1.0 40 41 42 1.0 43 1.0 42 43 44 1.0 44 45 1.0 45 46 47 1.0 48 1.0 47 48 49 1.0 50 1.0 49 50 51 1.0 52 1.0 151 1.0 51 52 53 1.0 54 1.0 55 1.0 53 54 55 56 1.0 56 57 1981 1.0 58 1.0 59 1.0 60 1.0 58 59 60 61 1.0 62 1.0 61 62 63 1.0 66 1.0 63 64 1.0 65 1.0 64 65 66 67 1.0 68 1.0 67 68 69 70 1.0 73 1.0 77 1.0 78 1.0 70 71 1.0 72 1.0 71 72 73 74 1.0 75 1.0 76 1.0 74 75 76 77 78 79 1.0 80 1.0 81 1.0 79 80 81 82 1.0 83 1.0 84 1.0 82 83 84 85 1.0 123 1.0 85 86 1.0 122 1.0 86 87 1.0 111 1.0 121 1.0 87 88 1.0 109 1.0 110 1.0 88 89 1.0 89 90 1.0 90 91 1.0 107 1.0 108 1.0 91 92 1.0 99 1.0 106 1.0 92 93 1.0 98 1.0 93 94 1.0 97 1.0 94 3780 1.0 95 1.0 96 1.0 95 96 97 98 99 100 1.0 105 1.0 100 101 1.0 104 1.0 101 3783 1.0 102 1.0 103 1.0 102 103 104 105 106 107 108 109 110 111 112 1.0 113 1.0 112 113 114 1.0 120 1.0 114 115 1.0 118 1.0 119 1.0 115 116 1.0 117 1.0 116 117 118 119 120 121 122 123 124 125 1.0 126 1.0 125 126 1.0 126 127 128 1.0 129 1.0 128 129 1.0 129 130 131 1.0 132 1.0 131 132 1.0 132 133 134 1.0 135 1.0 134 135 1.0 135 136 137 1.0 138 1.0 137 138 1.0 138 139 140 1.0 141 1.0 140 141 1.0 141 142 143 1.0 144 1.0 143 144 1.0 144 145 146 1.0 147 1.0 146 147 1.0 147 148 149 1.0 150 1.0 149 150 1.0 150 151 152 1.0 153 1.0 152 153 154 1.0 1033 1.0 154 155 1401 1.0 156 1.0 157 1.0 158 1.0 156 157 158 159 1.0 160 1.0 161 1.0 159 160 161 162 1.0 163 1.0 164 1.0 162 163 164 165 166 1.0 167 1.0 166 167 1.0 167 168 169 1.0 170 1.0 169 170 1.0 170 171 172 1.0 173 1.0 172 173 1.0 173 174 175 1.0 176 1.0 175 176 1.0 176 177 178 1.0 179 1.0 178 179 1.0 179 180 181 1.0 182 1.0 181 182 1.0 182 183 184 1.0 185 1.0 184 185 1.0 185 186 187 1.0 188 1.0 187 188 1.0 188 189 190 1.0 191 1.0 190 191 1.0 191 192 193 1.0 194 1.0 193 194 1.0 194 195 196 1.0 197 1.0 196 197 1.0 197 198 199 1.0 200 1.0 199 200 1.0 200 201 202 1.0 203 1.0 202 203 1.0 203 204 205 1.0 206 1.0 207 1.0 208 1.0 205 206 207 208 209 1.0 210 1.0 221 1.0 209 210 211 1.0 212 1.0 213 1.0 211 212 213 214 1.0 215 1.0 216 1.0 214 215 216 217 1.0 217 218 1.0 219 1.0 220 1.0 218 219 220 221 222 1.0 223 1.0 222 223 224 1.0 225 1.0 224 225 226 1.0 227 1.0 240 1.0 226 227 228 1.0 229 1.0 230 1.0 228 229 230 231 1.0 232 1.0 236 1.0 231 232 233 1.0 234 1.0 235 1.0 233 234 235 236 237 1.0 238 1.0 239 1.0 237 238 239 240 241 1.0 242 1.0 241 242 243 1.0 244 1.0 243 244 245 1.0 246 1.0 264 1.0 245 246 247 1.0 248 1.0 249 1.0 247 248 249 250 1.0 251 1.0 252 1.0 250 251 252 253 1.0 254 1.0 255 1.0 253 254 255 256 1.0 257 1.0 256 257 258 1.0 261 1.0 258 259 1.0 260 1.0 259 260 261 262 1.0 263 1.0 262 263 264 265 1.0 266 1.0 265 266 267 1.0 268 1.0 267 268 269 1.0 270 1.0 288 1.0 269 270 271 1.0 272 1.0 273 1.0 271 272 273 274 1.0 275 1.0 276 1.0 274 275 276 277 1.0 278 1.0 279 1.0 277 278 279 280 1.0 281 1.0 280 281 282 1.0 285 1.0 282 283 1.0 284 1.0 283 284 285 286 1.0 287 1.0 286 287 288 289 1.0 290 1.0 289 290 291 1.0 292 1.0 291 292 293 1.0 294 1.0 298 1.0 293 294 295 1.0 296 1.0 297 1.0 295 296 297 298 299 1.0 300 1.0 299 300 301 1.0 302 1.0 301 302 303 1.0 304 1.0 317 1.0 303 304 305 1.0 306 1.0 307 1.0 305 306 307 308 1.0 309 1.0 313 1.0 308 309 310 1.0 311 1.0 312 1.0 310 311 312 313 314 1.0 315 1.0 316 1.0 314 315 316 317 318 1.0 319 1.0 318 319 320 1.0 321 1.0 320 321 322 1.0 323 1.0 336 1.0 322 323 324 1.0 325 1.0 326 1.0 324 325 326 327 1.0 328 1.0 332 1.0 327 328 329 1.0 330 1.0 331 1.0 329 330 331 332 333 1.0 334 1.0 335 1.0 333 334 335 336 337 1.0 338 1.0 337 338 339 1.0 340 1.0 339 340 341 1.0 342 1.0 347 1.0 341 342 343 1.0 344 1.0 345 1.0 343 344 345 346 1.0 346 347 348 1.0 349 1.0 348 349 350 1.0 351 1.0 350 351 352 1.0 353 1.0 366 1.0 352 353 354 1.0 355 1.0 356 1.0 354 355 356 357 1.0 358 1.0 362 1.0 357 358 359 1.0 360 1.0 361 1.0 359 360 361 362 363 1.0 364 1.0 365 1.0 363 364 365 366 367 1.0 368 1.0 367 368 369 1.0 370 1.0 369 370 371 1.0 372 1.0 376 1.0 371 372 373 1.0 374 1.0 375 1.0 373 374 375 376 377 1.0 378 1.0 377 378 379 1.0 380 1.0 379 380 381 1.0 382 1.0 392 1.0 381 382 383 1.0 384 1.0 388 1.0 383 384 385 1.0 386 1.0 387 1.0 385 386 387 388 389 1.0 390 1.0 391 1.0 389 390 391 392 393 1.0 394 1.0 393 394 395 1.0 396 1.0 395 396 397 1.0 398 1.0 402 1.0 397 398 399 1.0 400 1.0 401 1.0 399 400 401 402 403 1.0 404 1.0 403 404 405 1.0 406 1.0 405 406 407 1.0 408 1.0 412 1.0 407 408 409 1.0 410 1.0 411 1.0 409 410 411 412 413 1.0 414 1.0 413 414 415 1.0 416 1.0 415 416 417 1.0 418 1.0 431 1.0 417 418 419 1.0 420 1.0 421 1.0 419 420 421 422 1.0 423 1.0 427 1.0 422 423 424 1.0 425 1.0 426 1.0 424 425 426 427 428 1.0 429 1.0 430 1.0 428 429 430 431 432 1.0 433 1.0 432 433 434 1.0 435 1.0 434 435 436 1.0 437 1.0 447 1.0 436 437 438 1.0 439 1.0 443 1.0 438 439 440 1.0 441 1.0 442 1.0 440 441 442 443 444 1.0 445 1.0 446 1.0 444 445 446 447 448 1.0 449 1.0 448 449 450 1.0 451 1.0 450 451 452 1.0 453 1.0 471 1.0 452 453 454 1.0 455 1.0 456 1.0 454 455 456 457 1.0 458 1.0 459 1.0 457 458 459 460 1.0 461 1.0 462 1.0 460 461 462 463 1.0 464 1.0 463 464 465 1.0 468 1.0 465 466 1.0 467 1.0 466 467 468 469 1.0 470 1.0 469 470 471 472 1.0 473 1.0 472 473 474 1.0 475 1.0 474 475 476 1.0 477 1.0 481 1.0 476 477 478 1.0 479 1.0 480 1.0 478 479 480 481 482 1.0 483 1.0 482 483 484 1.0 485 1.0 484 485 486 1.0 487 1.0 493 1.0 486 487 488 1.0 489 1.0 490 1.0 488 489 490 491 1.0 492 1.0 491 492 493 494 1.0 495 1.0 494 495 496 1.0 497 1.0 496 497 498 1.0 499 1.0 503 1.0 498 499 500 1.0 501 1.0 502 1.0 500 501 502 503 504 1.0 505 1.0 504 505 506 1.0 515 1.0 506 507 1.0 508 1.0 509 1.0 507 508 509 510 1.0 511 1.0 512 1.0 510 511 512 513 1.0 514 1.0 515 1.0 513 514 515 516 1.0 517 1.0 516 517 518 1.0 519 1.0 518 519 520 1.0 521 1.0 520 521 522 1.0 523 1.0 532 1.0 522 523 524 1.0 525 1.0 526 1.0 524 525 526 527 1.0 528 1.0 529 1.0 527 528 529 530 1.0 531 1.0 530 531 532 533 1.0 534 1.0 533 534 535 1.0 536 1.0 535 536 537 1.0 538 1.0 547 1.0 537 538 539 1.0 540 1.0 541 1.0 539 540 541 542 1.0 543 1.0 544 1.0 542 543 544 545 1.0 546 1.0 545 546 547 548 1.0 549 1.0 548 549 550 1.0 551 1.0 550 551 552 1.0 553 1.0 562 1.0 552 553 554 1.0 555 1.0 556 1.0 554 555 556 557 1.0 558 1.0 559 1.0 557 558 559 560 1.0 561 1.0 560 561 562 563 1.0 564 1.0 563 564 565 1.0 566 1.0 565 566 567 1.0 568 1.0 574 1.0 567 568 569 1.0 570 1.0 571 1.0 569 570 571 572 1.0 573 1.0 572 573 574 575 1.0 576 1.0 575 576 577 1.0 578 1.0 577 578 579 1.0 580 1.0 591 1.0 579 580 581 1.0 582 1.0 583 1.0 581 582 583 584 1.0 589 1.0 584 585 1.0 586 1.0 585 586 587 1.0 588 1.0 587 588 589 1.0 589 590 1.0 590 591 592 1.0 593 1.0 592 593 594 1.0 595 1.0 594 595 596 1.0 597 1.0 607 1.0 596 597 598 1.0 599 1.0 603 1.0 598 599 600 1.0 601 1.0 602 1.0 600 601 602 603 604 1.0 605 1.0 606 1.0 604 605 606 607 608 1.0 609 1.0 608 609 610 1.0 611 1.0 610 611 612 1.0 613 1.0 626 1.0 612 613 614 1.0 615 1.0 616 1.0 614 615 616 617 1.0 618 1.0 622 1.0 617 618 619 1.0 620 1.0 621 1.0 619 620 621 622 623 1.0 624 1.0 625 1.0 623 624 625 626 627 1.0 628 1.0 627 628 629 1.0 630 1.0 629 630 631 1.0 632 1.0 642 1.0 631 632 633 1.0 634 1.0 638 1.0 633 634 635 1.0 636 1.0 637 1.0 635 636 637 638 639 1.0 640 1.0 641 1.0 639 640 641 642 643 1.0 644 1.0 643 644 645 1.0 646 1.0 645 646 647 1.0 648 1.0 661 1.0 647 648 649 1.0 650 1.0 651 1.0 649 650 651 652 1.0 653 1.0 657 1.0 652 653 654 1.0 655 1.0 656 1.0 654 655 656 657 658 1.0 659 1.0 660 1.0 658 659 660 661 662 1.0 663 1.0 662 663 664 1.0 665 1.0 664 665 666 1.0 667 1.0 685 1.0 666 667 668 1.0 669 1.0 670 1.0 668 669 670 671 1.0 672 1.0 673 1.0 671 672 673 674 1.0 675 1.0 676 1.0 674 675 676 677 1.0 678 1.0 677 678 679 1.0 682 1.0 679 680 1.0 681 1.0 680 681 682 683 1.0 684 1.0 683 684 685 686 1.0 687 1.0 686 687 688 1.0 689 1.0 688 689 690 1.0 691 1.0 707 1.0 690 691 692 1.0 693 1.0 694 1.0 692 693 694 695 1.0 696 1.0 697 1.0 695 696 697 698 1.0 699 1.0 700 1.0 698 699 700 701 1.0 702 1.0 703 1.0 701 702 703 704 1.0 705 1.0 706 1.0 704 705 706 707 708 1.0 709 1.0 708 709 710 1.0 711 1.0 710 711 712 1.0 713 1.0 718 1.0 712 713 714 1.0 715 1.0 716 1.0 714 715 716 717 1.0 717 718 719 1.0 720 1.0 719 720 721 1.0 722 1.0 721 722 723 1.0 724 1.0 732 1.0 723 724 725 1.0 726 1.0 727 1.0 725 726 727 728 1.0 729 1.0 728 729 730 1.0 731 1.0 730 731 732 733 1.0 734 1.0 733 734 735 1.0 736 1.0 735 736 737 1.0 738 1.0 752 1.0 737 738 739 1.0 740 1.0 741 1.0 739 740 741 742 1.0 750 1.0 742 743 1.0 744 1.0 743 744 745 1.0 746 1.0 745 746 747 1.0 748 1.0 747 748 749 1.0 750 1.0 749 750 751 1.0 751 752 753 1.0 754 1.0 753 754 755 1.0 756 1.0 755 756 757 1.0 758 1.0 762 1.0 757 758 759 1.0 760 1.0 761 1.0 759 760 761 762 763 1.0 764 1.0 763 764 765 1.0 766 1.0 765 766 767 1.0 768 1.0 777 1.0 767 768 769 1.0 770 1.0 771 1.0 769 770 771 772 1.0 773 1.0 774 1.0 772 773 774 775 1.0 776 1.0 775 776 777 778 1.0 779 1.0 778 779 780 1.0 781 1.0 780 781 782 1.0 783 1.0 787 1.0 782 783 784 1.0 785 1.0 786 1.0 784 785 786 787 788 1.0 789 1.0 788 789 790 1.0 791 1.0 790 791 792 1.0 793 1.0 806 1.0 792 793 794 1.0 795 1.0 796 1.0 794 795 796 797 1.0 798 1.0 802 1.0 797 798 799 1.0 800 1.0 801 1.0 799 800 801 802 803 1.0 804 1.0 805 1.0 803 804 805 806 807 1.0 808 1.0 807 808 809 1.0 810 1.0 809 810 811 1.0 812 1.0 816 1.0 811 812 813 1.0 814 1.0 815 1.0 813 814 815 816 817 1.0 818 1.0 817 818 819 1.0 820 1.0 819 820 821 1.0 822 1.0 826 1.0 821 822 823 1.0 824 1.0 825 1.0 823 824 825 826 827 1.0 828 1.0 827 828 829 1.0 830 1.0 829 830 831 1.0 832 1.0 843 1.0 831 832 833 1.0 834 1.0 835 1.0 833 834 835 836 1.0 841 1.0 836 837 1.0 838 1.0 837 838 839 1.0 840 1.0 839 840 841 1.0 841 842 1.0 842 843 844 1.0 845 1.0 844 845 846 1.0 847 1.0 846 847 848 1.0 849 1.0 865 1.0 848 849 850 1.0 851 1.0 852 1.0 850 851 852 853 1.0 854 1.0 855 1.0 853 854 855 856 1.0 857 1.0 858 1.0 856 857 858 859 1.0 860 1.0 861 1.0 859 860 861 862 1.0 863 1.0 864 1.0 862 863 864 865 866 1.0 867 1.0 866 867 868 1.0 869 1.0 868 869 870 1.0 871 1.0 886 1.0 870 871 872 1.0 873 1.0 874 1.0 872 873 874 875 1.0 884 1.0 875 876 1.0 877 1.0 876 877 878 1.0 879 1.0 878 879 880 1.0 882 1.0 880 881 1.0 881 882 883 1.0 884 1.0 883 884 885 1.0 885 886 887 1.0 888 1.0 887 888 889 1.0 890 1.0 889 890 891 1.0 892 1.0 905 1.0 891 892 893 1.0 894 1.0 895 1.0 893 894 895 896 1.0 897 1.0 901 1.0 896 897 898 1.0 899 1.0 900 1.0 898 899 900 901 902 1.0 903 1.0 904 1.0 902 903 904 905 906 1.0 907 1.0 906 907 908 1.0 909 1.0 908 909 910 1.0 911 1.0 924 1.0 910 911 912 1.0 913 1.0 914 1.0 912 913 914 915 1.0 916 1.0 920 1.0 915 916 917 1.0 918 1.0 919 1.0 917 918 919 920 921 1.0 922 1.0 923 1.0 921 922 923 924 925 1.0 926 1.0 925 926 927 1.0 928 1.0 927 928 929 1.0 930 1.0 940 1.0 929 930 931 1.0 932 1.0 936 1.0 931 932 933 1.0 934 1.0 935 1.0 933 934 935 936 937 1.0 938 1.0 939 1.0 937 938 939 940 941 1.0 942 1.0 941 942 943 1.0 944 1.0 943 944 945 1.0 946 1.0 945 946 947 1.0 948 1.0 947 948 949 1.0 950 1.0 949 950 951 1.0 952 1.0 966 1.0 951 952 953 1.0 954 1.0 955 1.0 953 954 955 956 1.0 964 1.0 956 957 1.0 958 1.0 957 958 959 1.0 960 1.0 959 960 961 1.0 962 1.0 961 962 963 1.0 964 1.0 963 964 965 1.0 965 966 967 1.0 968 1.0 967 968 969 1.0 970 1.0 969 970 971 1.0 972 1.0 987 1.0 971 972 973 1.0 974 1.0 975 1.0 973 974 975 976 1.0 985 1.0 976 977 1.0 978 1.0 977 978 979 1.0 980 1.0 979 980 981 1.0 983 1.0 981 982 1.0 982 983 984 1.0 985 1.0 984 985 986 1.0 986 987 988 1.0 989 1.0 988 989 990 1.0 991 1.0 990 991 992 1.0 993 1.0 997 1.0 992 993 994 1.0 995 1.0 996 1.0 994 995 996 997 998 1.0 999 1.0 998 999 1000 1.0 1009 1.0 1000 1001 1.0 1002 1.0 1003 1.0 1001 1002 1003 1004 1.0 1005 1.0 1006 1.0 1004 1005 1006 1007 1.0 1008 1.0 1009 1.0 1007 1008 1009 1010 1.0 1011 1.0 1010 1011 1012 1.0 1013 1.0 1012 1013 1014 1.0 1014 1015 1016 1.0 1017 1.0 1018 1.0 1016 1017 1018 1019 1.0 1032 1.0 1019 1020 1.0 1021 1.0 1020 1021 1022 1.0 1023 1.0 1022 1023 1024 1.0 1032 1.0 1024 1025 1.0 1026 1.0 1025 1026 1027 1.0 1028 1.0 1027 1028 1029 1.0 1030 1.0 1029 1030 1031 1.0 1032 1.0 1031 1032 1033 1034 1.0 1035 1.0 1051 1.0 1034 1035 1036 1.0 1037 1.0 1038 1.0 1036 1037 1038 1039 1.0 1040 1.0 1041 1.0 1039 1040 1041 1042 1.0 1043 1.0 1044 1.0 1042 1043 1044 1045 1.0 1046 1.0 1047 1.0 1045 1046 1047 1048 1.0 1049 1.0 1050 1.0 1048 1049 1050 1051 1052 1.0 1053 1.0 1052 1053 1054 1.0 1055 1.0 1054 1055 1056 1.0 1057 1.0 1061 1.0 1056 1057 1058 1.0 1059 1.0 1060 1.0 1058 1059 1060 1061 1062 1.0 1063 1.0 1062 1063 1064 1.0 1065 1.0 1064 1065 1066 1.0 1067 1.0 1080 1.0 1066 1067 1068 1.0 1069 1.0 1070 1.0 1068 1069 1070 1071 1.0 1072 1.0 1076 1.0 1071 1072 1073 1.0 1074 1.0 1075 1.0 1073 1074 1075 1076 1077 1.0 1078 1.0 1079 1.0 1077 1078 1079 1080 1081 1.0 1082 1.0 1081 1082 1083 1.0 1084 1.0 1083 1084 1085 1.0 1086 1.0 1090 1.0 1085 1086 1087 1.0 1088 1.0 1089 1.0 1087 1088 1089 1090 1091 1.0 1092 1.0 1091 1092 1093 1.0 1102 1.0 1093 1094 1.0 1095 1.0 1096 1.0 1094 1095 1096 1097 1.0 1098 1.0 1099 1.0 1097 1098 1099 1100 1.0 1101 1.0 1102 1.0 1100 1101 1102 1103 1.0 1104 1.0 1103 1104 1105 1.0 1106 1.0 1105 1106 1107 1.0 1108 1.0 1107 1108 1109 1.0 1110 1.0 1119 1.0 1109 1110 1111 1.0 1112 1.0 1113 1.0 1111 1112 1113 1114 1.0 1115 1.0 1116 1.0 1114 1115 1116 1117 1.0 1118 1.0 1117 1118 1119 1120 1.0 1121 1.0 1120 1121 1122 1.0 1123 1.0 1122 1123 1124 1.0 1125 1.0 1140 1.0 1124 1125 1126 1.0 1127 1.0 1128 1.0 1126 1127 1128 1129 1.0 1138 1.0 1129 1130 1.0 1131 1.0 1130 1131 1132 1.0 1133 1.0 1132 1133 1134 1.0 1136 1.0 1134 1135 1.0 1135 1136 1137 1.0 1138 1.0 1137 1138 1139 1.0 1139 1140 1141 1.0 1142 1.0 1141 1142 1143 1.0 1144 1.0 1143 1144 1145 1.0 1146 1.0 1150 1.0 1145 1146 1147 1.0 1148 1.0 1149 1.0 1147 1148 1149 1150 1151 1.0 1152 1.0 1151 1152 1153 1.0 1154 1.0 1153 1154 1155 1.0 1156 1.0 1172 1.0 1155 1156 1157 1.0 1158 1.0 1159 1.0 1157 1158 1159 1160 1.0 1161 1.0 1162 1.0 1160 1161 1162 1163 1.0 1164 1.0 1165 1.0 1163 1164 1165 1166 1.0 1167 1.0 1168 1.0 1166 1167 1168 1169 1.0 1170 1.0 1171 1.0 1169 1170 1171 1172 1173 1.0 1174 1.0 1173 1174 1175 1.0 1176 1.0 1175 1176 1177 1.0 1178 1.0 1182 1.0 1177 1178 1179 1.0 1180 1.0 1181 1.0 1179 1180 1181 1182 1183 1.0 1184 1.0 1183 1184 1185 1.0 1186 1.0 1185 1186 1187 1.0 1188 1.0 1192 1.0 1187 1188 1189 1.0 1190 1.0 1191 1.0 1189 1190 1191 1192 1193 1.0 1194 1.0 1193 1194 1195 1.0 1196 1.0 1195 1196 1197 1.0 1198 1.0 1199 1.0 1197 1198 1199 1200 1.0 1201 1.0 1200 1201 1202 1.0 1203 1.0 1202 1203 1204 1.0 1205 1.0 1221 1.0 1204 1205 1206 1.0 1207 1.0 1208 1.0 1206 1207 1208 1209 1.0 1210 1.0 1211 1.0 1209 1210 1211 1212 1.0 1213 1.0 1214 1.0 1212 1213 1214 1215 1.0 1216 1.0 1217 1.0 1215 1216 1217 1218 1.0 1219 1.0 1220 1.0 1218 1219 1220 1221 1222 1.0 1223 1.0 1222 1223 1224 1.0 1225 1.0 1224 1225 1226 1.0 1227 1.0 1240 1.0 1226 1227 1228 1.0 1229 1.0 1230 1.0 1228 1229 1230 1231 1.0 1232 1.0 1236 1.0 1231 1232 1233 1.0 1234 1.0 1235 1.0 1233 1234 1235 1236 1237 1.0 1238 1.0 1239 1.0 1237 1238 1239 1240 1241 1.0 1242 1.0 1241 1242 1243 1.0 1244 1.0 1243 1244 1245 1.0 1246 1.0 1262 1.0 1245 1246 1247 1.0 1248 1.0 1249 1.0 1247 1248 1249 1250 1.0 1251 1.0 1252 1.0 1250 1251 1252 1253 1.0 1254 1.0 1255 1.0 1253 1254 1255 1256 1.0 1257 1.0 1258 1.0 1256 1257 1258 1259 1.0 1260 1.0 1261 1.0 1259 1260 1261 1262 1263 1.0 1264 1.0 1263 1264 1265 1.0 1266 1.0 1265 1266 1267 1.0 1268 1.0 1272 1.0 1267 1268 1269 1.0 1270 1.0 1271 1.0 1269 1270 1271 1272 1273 1.0 1274 1.0 1273 1274 1275 1.0 1276 1.0 1275 1276 1277 1.0 1278 1.0 1287 1.0 1277 1278 1279 1.0 1280 1.0 1281 1.0 1279 1280 1281 1282 1.0 1283 1.0 1284 1.0 1282 1283 1284 1285 1.0 1286 1.0 1285 1286 1287 1288 1.0 1289 1.0 1288 1289 1290 1.0 1291 1.0 1290 1291 1292 1.0 1293 1.0 1294 1.0 1292 1293 1294 1295 1.0 1296 1.0 1295 1296 1297 1.0 1298 1.0 1297 1298 1299 1.0 1300 1.0 1305 1.0 1299 1300 1301 1.0 1302 1.0 1303 1.0 1301 1302 1303 1304 1.0 1304 1305 1306 1.0 1307 1.0 1306 1307 1308 1.0 1309 1.0 1308 1309 1310 1.0 1311 1.0 1320 1.0 1310 1311 1312 1.0 1313 1.0 1314 1.0 1312 1313 1314 1315 1.0 1316 1.0 1317 1.0 1315 1316 1317 1318 1.0 1319 1.0 1318 1319 1320 1321 1.0 1322 1.0 1321 1322 1323 1.0 1324 1.0 1323 1324 1325 1.0 1326 1.0 1339 1.0 1325 1326 1327 1.0 1328 1.0 1332 1.0 1327 1328 1329 1.0 1330 1.0 1331 1.0 1329 1330 1331 1332 1333 1.0 1334 1.0 1335 1.0 1333 1334 1335 1336 1.0 1337 1.0 1338 1.0 1336 1337 1338 1339 1340 1.0 1341 1.0 1340 1341 1342 1.0 1343 1.0 1342 1343 1344 1.0 1345 1.0 1363 1.0 1344 1345 1346 1.0 1347 1.0 1348 1.0 1346 1347 1348 1349 1.0 1350 1.0 1351 1.0 1349 1350 1351 1352 1.0 1353 1.0 1354 1.0 1352 1353 1354 1355 1.0 1356 1.0 1355 1356 1357 1.0 1360 1.0 1357 1358 1.0 1359 1.0 1358 1359 1360 1361 1.0 1362 1.0 1361 1362 1363 1364 1.0 1365 1.0 1364 1365 1366 1.0 1367 1.0 1366 1367 1368 1.0 1369 1.0 1382 1.0 1368 1369 1370 1.0 1371 1.0 1372 1.0 1370 1371 1372 1373 1.0 1374 1.0 1378 1.0 1373 1374 1375 1.0 1376 1.0 1377 1.0 1375 1376 1377 1378 1379 1.0 1380 1.0 1381 1.0 1379 1380 1381 1382 1383 1.0 1384 1.0 1383 1384 1385 1.0 1386 1.0 1385 1386 1387 1.0 1388 1.0 1392 1.0 1387 1388 1389 1.0 1390 1.0 1391 1.0 1389 1390 1391 1392 1393 1.0 1394 1.0 1393 1394 1395 1.0 1396 1.0 1395 1396 1397 1.0 1398 1.0 1404 1.0 1397 1398 1399 1.0 1400 1.0 1401 1.0 1399 1400 1401 1402 1.0 1403 1.0 1402 1403 1404 1405 1.0 1406 1.0 1405 1406 1407 1.0 1408 1.0 1407 1408 1409 1.0 1410 1.0 1420 1.0 1409 1410 1411 1.0 1412 1.0 1416 1.0 1411 1412 1413 1.0 1414 1.0 1415 1.0 1413 1414 1415 1416 1417 1.0 1418 1.0 1419 1.0 1417 1418 1419 1420 1421 1.0 1422 1.0 1421 1422 1423 1.0 1424 1.0 1423 1424 1425 1.0 1426 1.0 1432 1.0 1425 1426 1427 1.0 1428 1.0 1429 1.0 1427 1428 1429 1430 1.0 1431 1.0 1430 1431 1432 1433 1.0 1434 1.0 1433 1434 1435 1.0 1436 1.0 1435 1436 1437 1.0 1438 1.0 1442 1.0 1437 1438 1439 1.0 1440 1.0 1441 1.0 1439 1440 1441 1442 1443 1.0 1444 1.0 1443 1444 1445 1.0 1446 1.0 1445 1446 1447 1.0 1448 1.0 1456 1.0 1447 1448 1449 1.0 1450 1.0 1454 1.0 1449 1450 1451 1.0 1452 1.0 1453 1.0 1451 1452 1453 1454 1455 1.0 1455 1456 1457 1.0 1458 1.0 1457 1458 1459 1.0 1460 1.0 1459 1460 1461 1.0 1462 1.0 1471 1.0 1461 1462 1463 1.0 1464 1.0 1465 1.0 1463 1464 1465 1466 1.0 1467 1.0 1468 1.0 1466 1467 1468 1469 1.0 1470 1.0 1469 1470 1471 1472 1.0 1473 1.0 1472 1473 1474 1.0 1475 1.0 1474 1475 1476 1.0 1477 1.0 1486 1.0 1476 1477 1478 1.0 1479 1.0 1480 1.0 1478 1479 1480 1481 1.0 1482 1.0 1483 1.0 1481 1482 1483 1484 1.0 1485 1.0 1484 1485 1486 1487 1.0 1488 1.0 1487 1488 1489 1.0 1490 1.0 1489 1490 1491 1.0 1492 1.0 1497 1.0 1491 1492 1493 1.0 1494 1.0 1495 1.0 1493 1494 1495 1496 1.0 1496 1497 1498 1.0 1499 1.0 1498 1499 1500 1.0 1501 1.0 1500 1501 1502 1.0 1503 1.0 1509 1.0 1502 1503 1504 1.0 1505 1.0 1506 1.0 1504 1505 1506 1507 1.0 1508 1.0 1507 1508 1509 1510 1.0 1511 1.0 1510 1511 1512 1.0 1513 1.0 1512 1513 1514 1.0 1515 1.0 1528 1.0 1514 1515 1516 1.0 1517 1.0 1518 1.0 1516 1517 1518 1519 1.0 1520 1.0 1524 1.0 1519 1520 1521 1.0 1522 1.0 1523 1.0 1521 1522 1523 1524 1525 1.0 1526 1.0 1527 1.0 1525 1526 1527 1528 1529 1.0 1530 1.0 1529 1530 1531 1.0 1532 1.0 1531 1532 1533 1.0 1534 1.0 1538 1.0 1533 1534 1535 1.0 1536 1.0 1537 1.0 1535 1536 1537 1538 1539 1.0 1540 1.0 1539 1540 1541 1.0 1542 1.0 1541 1542 1543 1.0 1544 1.0 1555 1.0 1543 1544 1545 1.0 1546 1.0 1547 1.0 1545 1546 1547 1548 1.0 1549 1.0 1550 1.0 1548 1549 1550 1551 1.0 1552 1.0 1551 1552 1553 1.0 1554 1.0 1553 1554 1555 1556 1.0 1557 1.0 1556 1557 1558 1.0 1559 1.0 1558 1559 1560 1.0 1561 1.0 1572 1.0 1560 1561 1562 1.0 1563 1.0 1564 1.0 1562 1563 1564 1565 1.0 1566 1.0 1567 1.0 1565 1566 1567 1568 1.0 1569 1.0 1568 1569 1570 1.0 1571 1.0 1570 1571 1572 1573 1.0 1574 1.0 1573 1574 1575 1.0 1576 1.0 1575 1576 1577 1.0 1578 1.0 1593 1.0 1577 1578 1579 1.0 1580 1.0 1581 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1.0 6704 1.0 6703 6704 1.0 6704 6705 6706 1.0 6707 1.0 6706 6707 1.0 6707 6708 6709 1.0 6710 1.0 6709 6710 1.0 6710 6711 6712 1.0 6713 1.0 6712 6713 1.0 6713 6714 6715 1.0 6716 1.0 6715 6716 1.0 6716 6717 6718 1.0 6719 1.0 6718 6719 1.0 6719 6720 6721 1.0 6722 1.0 6721 6722 1.0 6722 6723 6724 1.0 6725 1.0 6724 6725 1.0 6725 6726 6727 1.0 6728 1.0 6727 6728 1.0 6728 6729 6730 1.0 6731 1.0 6730 6731 1.0 6731 6732 6733 1.0 6734 1.0 6733 6734 1.0 6734 6735 6736 1.0 6737 1.0 6736 6737 1.0 6737 6738 6739 1.0 6740 1.0 6739 6740 1.0 6740 6741 6742 1.0 6743 1.0 6742 6743 1.0 6743 6744 6745 1.0 6746 1.0 6745 6746 1.0 6746 6747 6748 1.0 6749 1.0 6748 6749 1.0 6749 6750 6751 1.0 6752 1.0 6751 6752 1.0 6752 6753 6754 1.0 6755 1.0 6754 6755 1.0 6755 6756 6757 1.0 6758 1.0 6757 6758 1.0 6758 6759 6760 1.0 6761 1.0 6760 6761 1.0 6761 6762 6763 1.0 6764 1.0 6763 6764 1.0 6764 6765 6766 1.0 6767 1.0 6766 6767 1.0 6767 6768 6769 1.0 6770 1.0 6769 6770 1.0 6770 6771 6772 1.0 6773 1.0 6772 6773 1.0 6773 6774 6775 1.0 6776 1.0 6775 6776 1.0 6776 6777 6778 1.0 6779 1.0 6778 6779 1.0 6779 6780 6781 1.0 6782 1.0 6781 6782 1.0 6782 6783 6784 1.0 6785 1.0 6784 6785 1.0 6785 6786 6787 1.0 6788 1.0 6787 6788 1.0 6788 6789 6790 1.0 6791 1.0 6790 6791 1.0 6791 6792 6793 1.0 6794 1.0 6793 6794 1.0 6794 6795 6796 1.0 6797 1.0 6796 6797 1.0 6797 6798 6799 1.0 6800 1.0 6799 6800 1.0 6800 6801 6802 1.0 6803 1.0 6802 6803 1.0 6803 6804 6805 1.0 6806 1.0 6805 6806 1.0 6806 6807 6808 1.0 6809 1.0 6808 6809 1.0 6809 6810 6811 1.0 6812 1.0 6811 6812 1.0 6812 6813 6814 1.0 6815 1.0 6814 6815 1.0 6815 6816 6817 1.0 6818 1.0 6817 6818 1.0 6818 6819 6820 1.0 6821 1.0 6820 6821 1.0 6821 6822 6823 1.0 6824 1.0 6823 6824 1.0 6824 6825 6826 1.0 6827 1.0 6826 6827 1.0 6827 6828 6829 1.0 6830 1.0 6829 6830 1.0 6830 6831 6832 1.0 6833 1.0 6832 6833 1.0 6833 6834 6835 1.0 6836 1.0 6835 6836 1.0 6836 6837 6838 1.0 6839 1.0 6838 6839 1.0 6839 6840 6841 1.0 6842 1.0 6841 6842 1.0 6842 6843 6844 1.0 6845 1.0 6844 6845 1.0 6845 6846 6847 1.0 6848 1.0 6847 6848 1.0 6848 6849 6850 1.0 6851 1.0 6850 6851 1.0 6851 6852 6853 1.0 6854 1.0 6853 6854 1.0 6854 6855 6856 1.0 6857 1.0 6856 6857 1.0 6857 6858 6859 1.0 6860 1.0 6859 6860 1.0 6860 6861 6862 1.0 6863 1.0 6862 6863 1.0 6863 6864 6865 1.0 6866 1.0 6865 6866 1.0 6866 6867 6868 1.0 6869 1.0 6868 6869 1.0 6869 6870 6871 1.0 6872 1.0 6871 6872 1.0 6872 6873 6874 1.0 6875 1.0 6874 6875 1.0 6875 6876 6877 1.0 6878 1.0 6877 6878 1.0 6878 6879 6880 1.0 6881 1.0 6880 6881 1.0 6881 6882 6883 1.0 6884 1.0 6883 6884 1.0 6884 6885 6886 1.0 6887 1.0 6886 6887 1.0 6887 6888 6889 1.0 6890 1.0 6889 6890 1.0 6890 6891 6892 1.0 6893 1.0 6892 6893 1.0 6893 6894 6895 1.0 6896 1.0 6895 6896 1.0 6896 6897 6898 1.0 6899 1.0 6898 6899 1.0 6899 6900 6901 1.0 6902 1.0 6901 6902 1.0 6902 6903 6904 1.0 6905 1.0 6904 6905 1.0 6905 6906 6907 1.0 6908 1.0 6907 6908 1.0 6908 6909 6910 1.0 6911 1.0 6910 6911 1.0 6911 6912 6913 1.0 6914 1.0 6913 6914 1.0 6914 6915 6916 1.0 6917 1.0 6916 6917 1.0 6917 6918 6919 1.0 6920 1.0 6919 6920 1.0 6920 6921 6922 1.0 6923 1.0 6922 6923 1.0 6923 6924 6925 1.0 6926 1.0 6925 6926 1.0 6926 6927 6928 1.0 6929 1.0 6928 6929 1.0 6929 6930 6931 1.0 6932 1.0 6931 6932 1.0 6932 6933 6934 1.0 6935 1.0 6934 6935 1.0 6935 6936 6937 1.0 6938 1.0 6937 6938 1.0 6938 6939 6940 1.0 6941 1.0 6940 6941 1.0 6941 6942 6943 1.0 6944 1.0 6943 6944 1.0 6944 6945 6946 1.0 6947 1.0 6946 6947 1.0 6947 6948 6949 1.0 6950 1.0 6949 6950 1.0 6950 6951 6952 1.0 6953 1.0 6952 6953 1.0 6953 6954 6955 1.0 6956 1.0 6955 6956 1.0 6956 6957 6958 1.0 6959 1.0 6958 6959 1.0 6959 6960 6961 1.0 6962 1.0 6961 6962 1.0 6962 6963 6964 1.0 6965 1.0 6964 6965 1.0 6965 6966 6967 1.0 6968 1.0 6967 6968 1.0 6968 6969 6970 1.0 6971 1.0 6970 6971 1.0 6971 6972 6973 1.0 6974 1.0 6973 6974 1.0 6974 6975 6976 1.0 6977 1.0 6976 6977 1.0 6977 6978 6979 1.0 6980 1.0 6979 6980 1.0 6980 6981 6982 1.0 6983 1.0 6982 6983 1.0 6983 6984 6985 1.0 6986 1.0 6985 6986 1.0 6986 6987 6988 1.0 6989 1.0 6988 6989 1.0 6989 6990 6991 1.0 6992 1.0 6991 6992 1.0 6992 6993 6994 1.0 6995 1.0 6994 6995 1.0 6995 6996 6997 1.0 6998 1.0 6997 6998 1.0 6998 6999 7000 1.0 7001 1.0 7000 7001 1.0 7001 7002 7003 1.0 7004 1.0 7003 7004 1.0 7004 7005 7006 1.0 7007 1.0 7006 7007 1.0 7007 7008 7009 1.0 7010 1.0 7009 7010 1.0 7010 7011 7012 1.0 7013 1.0 7012 7013 1.0 7013 7014 7015 1.0 7016 1.0 7015 7016 1.0 7016 7017 7018 1.0 7019 1.0 7018 7019 1.0 7019 7020 7021 1.0 7022 1.0 7021 7022 1.0 7022 7023 7024 1.0 7025 1.0 7024 7025 1.0 7025 7026 7027 1.0 7028 1.0 7027 7028 1.0 7028 7029 7030 1.0 7031 1.0 7030 7031 1.0 7031 7032 7033 1.0 7034 1.0 7033 7034 1.0 7034 7035 7036 1.0 7037 1.0 7036 7037 1.0 7037 7038 7039 1.0 7040 1.0 7039 7040 1.0 7040 7041 7042 1.0 7043 1.0 7042 7043 1.0 7043 7044 7045 1.0 7046 1.0 7045 7046 1.0 7046 7047 7048 1.0 7049 1.0 7048 7049 1.0 7049 7050 7051 1.0 7052 1.0 7051 7052 1.0 7052 7053 7054 1.0 7055 1.0 7054 7055 1.0 7055 7056 7057 1.0 7058 1.0 7057 7058 1.0 7058 7059 7060 1.0 7061 1.0 7060 7061 1.0 7061 7062 7063 1.0 7064 1.0 7063 7064 1.0 7064 7065 7066 1.0 7067 1.0 7066 7067 1.0 7067 7068 7069 1.0 7070 1.0 7069 7070 1.0 7070 7071 7072 1.0 7073 1.0 7072 7073 1.0 7073 7074 7075 1.0 7076 1.0 7075 7076 1.0 7076 7077 7078 1.0 7079 1.0 7078 7079 1.0 7079 7080 7081 1.0 7082 1.0 7081 7082 1.0 7082 7083 7084 1.0 7085 1.0 7084 7085 1.0 7085 7086 7087 1.0 7088 1.0 7087 7088 1.0 7088 7089 7090 1.0 7091 1.0 7090 7091 1.0 7091 7092 7093 1.0 7094 1.0 7093 7094 1.0 7094 7095 7096 1.0 7097 1.0 7096 7097 1.0 7097 7098 7099 1.0 7100 1.0 7099 7100 1.0 7100 7101 7102 1.0 7103 1.0 7102 7103 1.0 7103 7104 7105 1.0 7106 1.0 7105 7106 1.0 7106 7107 7108 1.0 7109 1.0 7108 7109 1.0 7109 7110 7111 1.0 7112 1.0 7111 7112 1.0 7112 7113 7114 1.0 7115 1.0 7114 7115 1.0 7115 7116 7117 1.0 7118 1.0 7117 7118 1.0 7118 7119 7120 1.0 7121 1.0 7120 7121 1.0 7121 7122 7123 1.0 7124 1.0 7123 7124 1.0 7124 7125 7126 1.0 7127 1.0 7126 7127 1.0 7127 7128 7129 1.0 7130 1.0 7129 7130 1.0 7130 7131 7132 1.0 7133 1.0 7132 7133 1.0 7133 7134 7135 1.0 7136 1.0 7135 7136 1.0 7136 7137 7138 1.0 7139 1.0 7138 7139 1.0 7139 7140 7141 1.0 7142 1.0 7141 7142 1.0 7142 7143 7144 1.0 7145 1.0 7144 7145 1.0 7145 7146 7147 1.0 7148 1.0 7147 7148 1.0 7148 7149 7150 1.0 7151 1.0 7150 7151 1.0 7151 7152 7153 1.0 7154 1.0 7153 7154 1.0 7154 7155 7156 1.0 7157 1.0 7156 7157 1.0 7157 7158 7159 1.0 7160 1.0 7159 7160 1.0 7160 7161 7162 1.0 7163 1.0 7162 7163 1.0 7163 7164 7165 1.0 7166 1.0 7165 7166 1.0 7166 VDW C* 1.9080 0.0860 VDW H5 1.3590 0.0150 VDW H4 1.4090 0.0150 VDW HA 1.4590 0.0150 VDW H1 1.3870 0.0157 VDW N3 1.8240 0.1700 VDW N2 1.8240 0.1700 VDW O2 1.6612 0.2100 VDW CN 1.9080 0.0860 VDW NA 1.8240 0.1700 VDW NB 1.8240 0.1700 VDW HS 0.6000 0.0157 VDW HP 1.1000 0.0157 VDW CB 1.9080 0.0860 VDW CC 1.9080 0.0860 VDW OW 1.7683 0.1520 VDW CA 1.9080 0.0860 VDW S 2.0000 0.2500 VDW OH 1.7210 0.2104 VDW CW 1.9080 0.0860 VDW N 1.8240 0.1700 VDW O 1.6612 0.2100 VDW SH 2.0000 0.2500 VDW HC 1.4870 0.0157 VDW H 0.6000 0.0157 VDW CR 1.9080 0.0860 VDW CV 1.9080 0.0860 VDW C 1.9080 0.0860 VDW CT 1.9080 0.1094 HrmStr1 CT H1 340.00 1.0900 HrmStr1 CT HC 340.00 1.0900 HrmStr1 CT HP 340.00 1.0900 HrmStr1 N3 H 434.00 1.0100 HrmStr1 N H 434.00 1.0100 HrmStr1 N2 H 434.00 1.0100 HrmStr1 SH HS 274.00 1.3360 HrmStr1 CV H4 367.00 1.0800 HrmStr1 CR H5 367.00 1.0800 HrmStr1 NA H 434.00 1.0100 HrmStr1 OH HO 553.00 0.9600 HrmStr1 CA HA 367.00 1.0800 HrmStr1 CW H4 367.00 1.0800 HrmStr1 HW HW 553.00 1.5136 HrmStr1 OW HW 553.00 0.9572 HrmStr1 C O 570.00 1.2290 HrmStr1 C N 490.00 1.3350 HrmStr1 S CT 227.00 1.8100 HrmStr1 CT CT 310.00 1.5260 HrmStr1 CT C 317.00 1.5220 HrmStr1 N3 CT 367.00 1.4710 HrmStr1 N CT 337.00 1.4490 HrmStr1 CA N2 481.00 1.3400 HrmStr1 CT N2 337.00 1.4630 HrmStr1 CT SH 237.00 1.8100 HrmStr1 C O2 656.00 1.2500 HrmStr1 NB CV 410.00 1.3940 HrmStr1 CR NB 488.00 1.3350 HrmStr1 NA CR 477.00 1.3430 HrmStr1 CC NA 422.00 1.3850 HrmStr1 CC CV 512.00 1.3750 HrmStr1 CT CC 317.00 1.5040 HrmStr1 CT OH 320.00 1.4100 HrmStr1 CA CA 469.00 1.4000 HrmStr1 CT CA 317.00 1.5100 HrmStr1 C OH 450.00 1.3640 HrmStr1 C CA 469.00 1.4090 HrmStr1 CA CB 469.00 1.4040 HrmStr1 CN CA 469.00 1.4000 HrmStr1 CN CB 447.00 1.4190 HrmStr1 NA CN 428.00 1.3800 HrmStr1 CW NA 427.00 1.3810 HrmStr1 C* CW 546.00 1.3520 HrmStr1 C* CB 388.00 1.4590 HrmStr1 CT C* 317.00 1.4950 HrmStr1 S S 166.00 2.0380 HrmBnd1 HW HW OW 0.00 0.00 HrmBnd1 HW OW HW 0.00 0.00 HrmBnd1 H1 CT HC 35.00 109.5000 #mimick H1-CT-HC HrmBnd1 C N H 50.00 120.0001 HrmBnd1 H1 CT H1 35.00 109.5000 HrmBnd1 S CT H1 50.00 109.5000 HrmBnd1 HC CT CT 50.00 109.5000 HrmBnd1 HC CT HC 35.00 109.5000 HrmBnd1 CT CT H1 50.00 109.5000 HrmBnd1 HP CT CT 50.00 109.5000 HrmBnd1 HP CT C 50.00 109.5000 HrmBnd1 H N3 CT 50.00 109.5000 HrmBnd1 H N3 H 35.00 109.5000 HrmBnd1 N3 CT HP 50.00 109.5000 HrmBnd1 H1 CT C 50.00 109.5000 HrmBnd1 H N CT 50.00 118.0401 HrmBnd1 N CT H1 50.00 109.5000 HrmBnd1 H N2 H 35.00 120.0001 HrmBnd1 CA N2 H 50.00 120.0001 HrmBnd1 H1 CT N2 50.00 109.5000 HrmBnd1 CT N2 H 50.00 118.4001 HrmBnd1 H1 CT SH 50.00 109.5000 HrmBnd1 CT SH HS 43.00 96.0000 HrmBnd1 HC CT C 50.00 109.5000 HrmBnd1 NB CV H4 50.00 120.0001 HrmBnd1 H5 CR NB 50.00 120.0001 HrmBnd1 H NA CR 50.00 120.0001 HrmBnd1 NA CR H5 50.00 120.0001 HrmBnd1 CC NA H 50.00 120.0001 HrmBnd1 CC CV H4 50.00 120.0001 HrmBnd1 HC CT CC 50.00 109.5000 HrmBnd1 HP CT HP 35.00 109.5000 HrmBnd1 H1 CT OH 50.00 109.5000 HrmBnd1 CT OH HO 55.00 108.5000 HrmBnd1 H N H 35.00 120.0001 HrmBnd1 HA CA CA 50.00 120.0001 HrmBnd1 HC CT CA 50.00 109.5000 HrmBnd1 C OH HO 50.00 113.0000 HrmBnd1 C CA HA 50.00 120.0001 HrmBnd1 HA CA CB 50.00 120.0001 HrmBnd1 CN CA HA 50.00 120.0001 HrmBnd1 H NA CN 50.00 123.1001 HrmBnd1 H4 CW NA 50.00 120.0001 HrmBnd1 CW NA H 50.00 120.0001 HrmBnd1 C* CW H4 50.00 120.0001 HrmBnd1 HC CT C* 50.00 109.5000 HrmBnd1 O C N 80.00 122.9001 HrmBnd1 C N CT 50.00 121.9001 HrmBnd1 CT S CT 62.00 98.9000 HrmBnd1 CT CT C 63.00 111.1000 HrmBnd1 CT CT S 50.00 114.7000 HrmBnd1 CT CT CT 40.00 109.5000 HrmBnd1 CT C O 80.00 120.4001 HrmBnd1 CT C N 70.00 116.6000 HrmBnd1 N3 CT CT 80.00 111.2000 HrmBnd1 N3 CT C 80.00 111.2000 HrmBnd1 N CT CT 80.00 109.7000 HrmBnd1 N CT C 63.00 110.1000 HrmBnd1 N2 CA N2 70.00 120.0001 HrmBnd1 CT N2 CA 50.00 123.2001 HrmBnd1 CT CT N2 80.00 111.2000 HrmBnd1 CT CT SH 50.00 108.6000 HrmBnd1 O2 C O2 80.00 126.0001 HrmBnd1 CT C O2 70.00 117.0001 HrmBnd1 CT N CT 50.00 118.0001 HrmBnd1 CR NB CV 70.00 117.0001 HrmBnd1 NA CC CV 70.00 120.0001 HrmBnd1 NA CR NB 70.00 120.0001 HrmBnd1 CC NA CR 70.00 120.0001 HrmBnd1 CC CV NB 70.00 120.0001 HrmBnd1 CT CC NA 70.00 120.0001 HrmBnd1 CT CC CV 70.00 120.0001 HrmBnd1 CT CT CC 63.00 113.1000 HrmBnd1 CT CT OH 50.00 109.5000 HrmBnd1 CA CA CA 63.00 120.0001 HrmBnd1 CT CA CA 70.00 120.0001 HrmBnd1 CT CT CA 63.00 114.0000 HrmBnd1 OH C CA 70.00 120.0001 HrmBnd1 C CA CA 63.00 120.0001 HrmBnd1 CA C CA 63.00 120.0001 HrmBnd1 CA CA CB 63.00 120.0001 HrmBnd1 CA CN CB 63.00 122.7001 HrmBnd1 CN CA CA 63.00 120.0001 HrmBnd1 CN CB CA 63.00 116.2000 HrmBnd1 NA CN CA 70.00 132.8001 HrmBnd1 NA CN CB 70.00 104.4000 HrmBnd1 CW C* CB 63.00 106.4000 HrmBnd1 CW NA CN 70.00 111.6000 HrmBnd1 C* CW NA 70.00 108.7000 HrmBnd1 C* CB CN 63.00 108.8000 HrmBnd1 C* CB CA 63.00 134.9001 HrmBnd1 CT C* CW 70.00 125.0001 HrmBnd1 CT C* CB 70.00 128.6001 HrmBnd1 CT CT C* 63.00 115.6000 HrmBnd1 S S CT 68.00 103.7000 AmbTrs CT CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs O2 C CT CT 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs O2 C CT N3 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N3 CT CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT C O 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT C N 0 0 0 0 0.200 0.200 0.400 0.000 1.0 AmbTrs CT C N CT 0 180 0 0 0.000 2.500 0.000 0.000 1.0 AmbTrs C N CT C 0 0 0 0 0.000 0.270 0.420 0.000 1.0 AmbTrs C N CT CT 0 0 0 0 2.000 2.000 0.400 0.000 1.0 AmbTrs N CT C N 180 180 180 0 0.450 1.580 0.550 0.000 1.0 AmbTrs N CT C O 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N CT CT S 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT S S 0 0 0 0 0.000 0.000 0.333 0.000 1.0 AmbTrs CT N C O 0 180 0 0 0.000 2.500 0.000 0.000 1.0 AmbTrs CT S S CT 0 0 0 0 0.000 3.500 0.600 0.000 1.0 AmbTrs S CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N CT C O2 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N CT CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT CT CT 180 180 0 0 0.200 0.250 0.180 0.000 1.0 AmbTrs CT N CT C 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT N CT CT 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs C CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N CT CT CC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT CC CV 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT CC NA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CC CV NB 0 180 0 0 0.000 5.150 0.000 0.000 1.0 AmbTrs CT CC NA CR 0 180 0 0 0.000 1.400 0.000 0.000 1.0 AmbTrs CC CV NB CR 0 180 0 0 0.000 2.400 0.000 0.000 1.0 AmbTrs CC NA CR NB 0 180 0 0 0.000 2.325 0.000 0.000 1.0 AmbTrs CC CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs NA CR NB CV 0 180 0 0 0.000 5.000 0.000 0.000 1.0 AmbTrs NA CC CV NB 0 180 0 0 0.000 5.150 0.000 0.000 1.0 AmbTrs CR NA CC CV 0 180 0 0 0.000 1.400 0.000 0.000 1.0 AmbTrs N CT CT CA 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT CA CA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CA CA CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CA CA CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N CT CT OH 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs OH CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT CT N2 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT N2 CA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT N2 CA N2 0 180 0 0 0.000 2.400 0.000 0.000 1.0 AmbTrs CA CA CA C 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CA C CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CA C OH 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs N CT CT C* 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT C* CB 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT C* CW 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT C* CB CA 0 180 0 0 0.000 1.675 0.000 0.000 1.0 AmbTrs CT C* CB CN 0 180 0 0 0.000 1.675 0.000 0.000 1.0 AmbTrs CT C* CW NA 0 180 0 0 0.000 6.525 0.000 0.000 1.0 AmbTrs C* CB CA CA 0 180 0 0 0.000 3.500 0.000 0.000 1.0 AmbTrs C* CB CN CA 0 180 0 0 0.000 3.000 0.000 0.000 1.0 AmbTrs C* CB CN NA 0 180 0 0 0.000 3.000 0.000 0.000 1.0 AmbTrs C* CW NA CN 0 180 0 0 0.000 1.500 0.000 0.000 1.0 AmbTrs C* CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CW NA CN CB 0 180 0 0 0.000 1.525 0.000 0.000 1.0 AmbTrs CW NA CN CA 0 180 0 0 0.000 1.525 0.000 0.000 1.0 AmbTrs CW C* CB CA 0 180 0 0 0.000 1.675 0.000 0.000 1.0 AmbTrs CW C* CB CN 0 180 0 0 0.000 1.675 0.000 0.000 1.0 AmbTrs NA CN CB CA 0 180 0 0 0.000 3.000 0.000 0.000 1.0 AmbTrs NA CN CA CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs NA CW C* CB 0 180 0 0 0.000 6.525 0.000 0.000 1.0 AmbTrs CN CB CA CA 0 180 0 0 0.000 3.500 0.000 0.000 1.0 AmbTrs CN CA CA CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CN CB CA 0 180 0 0 0.000 3.000 0.000 0.000 1.0 AmbTrs CA CA CA CB 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CA CN CB 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs N CT CT SH 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs SH CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N3 CT C N 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N3 CT C O 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT CT S 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT S CT 0 0 0 0 0.000 0.000 0.333 0.000 1.0 AmbTrs CT CT CT HC 0 0 0 0 0.000 0.000 0.160 0.000 1.0 AmbTrs C CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs C CT N3 H 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs O2 C CT HP 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N3 CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H N3 CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H N3 CT HP 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs HP CT CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs HP CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs HC CT CT HC 0 0 0 0 0.000 0.000 0.150 0.000 1.0 AmbTrs CT C N H 0 180 0 0 0.000 2.500 0.000 0.000 1.0 AmbTrs HC CT C O 0 0 180 0 0.800 0.000 0.080 0.000 1.0 AmbTrs HC CT C N 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs C N CT H1 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N CT CT H1 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT N H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs S S CT H1 0 0 0 0 0.000 0.000 0.333 0.000 1.0 AmbTrs S CT CT H1 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs C CT N H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs C CT CT H1 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N C CT H1 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs O2 C CT H1 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs H1 CT N H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs H N C O 0 180 0 0 2.000 2.500 0.000 0.000 1.0 AmbTrs O C CT H1 0 0 180 0 0.800 0.000 0.080 0.000 1.0 AmbTrs H1 CT CT H1 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H1 CT CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H1 CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT N CT H1 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs H1 CT CT CC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CC CV H4 0 180 0 0 0.000 5.150 0.000 0.000 1.0 AmbTrs CT CC NA H 0 180 0 0 0.000 1.400 0.000 0.000 1.0 AmbTrs HC CT CC CV 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HC CT CC NA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CC NA CR H5 0 180 0 0 0.000 2.325 0.000 0.000 1.0 AmbTrs NA CC CV H4 0 180 0 0 0.000 5.150 0.000 0.000 1.0 AmbTrs H NA CR NB 0 180 0 0 0.000 2.325 0.000 0.000 1.0 AmbTrs H NA CR H5 0 180 0 0 0.000 2.325 0.000 0.000 1.0 AmbTrs H NA CC CV 0 180 0 0 0.000 1.400 0.000 0.000 1.0 AmbTrs CR NB CV H4 0 180 0 0 0.000 2.400 0.000 0.000 1.0 AmbTrs H5 CR NB CV 0 180 0 0 0.000 5.000 0.000 0.000 1.0 AmbTrs H1 CT CT CA 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CA CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HC CT CA CA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CA CA CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HA CA CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HC CT C O2 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT OH HO 0 0 0 0 0.250 0.000 0.160 0.000 1.0 AmbTrs H1 CT CT OH 0 0 0 0 0.250 0.000 0.000 0.000 1.0 AmbTrs H1 CT OH HO 0 0 0 0 0.000 0.000 0.167 0.000 1.0 AmbTrs HC CT CT OH 0 0 0 0 0.250 0.000 0.000 0.000 1.0 AmbTrs CT CT N2 H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HC CT CT N2 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H1 CT N2 CA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs H1 CT N2 H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N2 CA N2 H 0 180 0 0 0.000 2.400 0.000 0.000 1.0 AmbTrs HA CA CA C 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA C CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA C OH HO 0 180 0 0 0.000 2.300 0.000 0.000 1.0 AmbTrs HA CA C OH 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs H1 CT CT C* 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT C* CW H4 0 180 0 0 0.000 6.525 0.000 0.000 1.0 AmbTrs HC CT C* CB 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HC CT C* CW 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs C* CB CA HA 0 180 0 0 0.000 3.500 0.000 0.000 1.0 AmbTrs C* CW NA H 0 180 0 0 0.000 1.500 0.000 0.000 1.0 AmbTrs H4 CW NA CN 0 180 0 0 0.000 1.500 0.000 0.000 1.0 AmbTrs H4 CW NA H 0 180 0 0 0.000 1.500 0.000 0.000 1.0 AmbTrs H4 CW C* CB 0 180 0 0 0.000 6.525 0.000 0.000 1.0 AmbTrs NA CN CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs H NA CN CB 0 180 0 0 0.000 1.525 0.000 0.000 1.0 AmbTrs H NA CN CA 0 180 0 0 0.000 1.525 0.000 0.000 1.0 AmbTrs CN CB CA HA 0 180 0 0 0.000 3.500 0.000 0.000 1.0 AmbTrs CN CA CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HA CA CN CB 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HA CA CA CB 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CT CT SH HS 0 0 0 0 0.000 0.000 0.250 0.000 1.0 AmbTrs H1 CT CT SH 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H1 CT SH HS 0 0 0 0 0.000 0.000 0.250 0.000 1.0 AmbTrs HP CT C N 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HP CT C O 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HC CT CT S 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT S CT H1 0 0 0 0 0.000 0.000 0.333 0.000 1.0 ImpTrs CT O2 C O2 10.5 180.0 2.0 ImpTrs CT N C O 10.5 180.0 2.0 ImpTrs C CT N CT 1.0 180.0 2.0 ImpTrs CT CV CC NA 1.1 180.0 2.0 ImpTrs CA CA CA CT 1.1 180.0 2.0 ImpTrs N2 N2 CA N2 10.5 180.0 2.0 ImpTrs CA CA C OH 1.1 180.0 2.0 ImpTrs CB CT C* CW 1.1 180.0 2.0 ImpTrs C CT N H 1.1 180.0 2.0 ImpTrs C H N H 1.0 180.0 2.0 ImpTrs CC CR NA H 1.0 180.0 2.0 ImpTrs NA NB CR H5 1.1 180.0 2.0 ImpTrs CC NB CV H4 1.1 180.0 2.0 ImpTrs CA CA CA HA 1.1 180.0 2.0 ImpTrs CT CA N2 H 1.0 180.0 2.0 ImpTrs CA H N2 H 1.0 180.0 2.0 ImpTrs CA C CA HA 1.1 180.0 2.0 ImpTrs C* NA CW H4 1.1 180.0 2.0 ImpTrs CW CN NA H 1.0 180.0 2.0 ImpTrs CN CA CA HA 1.1 180.0 2.0 ImpTrs CA CB CA HA 1.1 180.0 2.0 --Link1-- %mem=54GB %nprocshared=16 %chk=domain-ab-TS3.chk # oniom(mpwpw91/6-31g(d):amber=softfirst)=embedcharge iop(3/76=0594004060) nosymm freq=(noraman,savenormalmodes,modelmodes) geom=connectivity temperature=310 pressure=1.0 7_GSHox-Cys53.rtf -12 1 -1 1 -1 1 C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=47) 0 -13.475261 -6.405721 1.524074 H H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=47) 0 -12.818348 -7.000394 2.156133 H H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=47) 0 -13.655524 -5.494488 2.088796 H C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=47) 0 -14.804319 -7.126182 1.382190 H H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=47) 0 -15.495543 -6.591109 0.722723 H H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=47) 0 -14.704645 -8.124982 0.958760 H C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=47) 0 -15.538398 -7.215061 2.710046 H O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=47) 0 -16.469795 -8.139968 2.815485 H O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=47) 0 -15.331055 -6.464936 3.634110 H C-CT--0.027500(PDBName=CA,ResName=TRP,ResNum=52) 0 -25.246811 -12.895155 -1.760837 L H-H1-0.112300(PDBName=HA,ResName=TRP,ResNum=52) 0 -25.766105 -13.036326 -0.813209 L C-C-0.597300(PDBName=C,ResName=TRP,ResNum=52) 0 -24.145440 -13.976063 -1.827384 L O-O--0.567900(PDBName=O,ResName=TRP,ResNum=52) 0 -24.493655 -15.137756 -1.598536 L N-N--0.415700(PDBName=N,ResName=CYM,ResNum=53) 0 -22.868770 -13.652801 -2.116407 L H-HC 16 0.0000 H-H-0.271900(PDBName=H,ResName=CYM,ResNum=53) 0 -22.601177 -12.680060 -2.204538 L C-CT--0.035100(PDBName=CA,ResName=CYM,ResNum=53) 0 -21.828707 -14.649459 -2.399961 H H-H1-0.050800(PDBName=HA,ResName=CYM,ResNum=53) 0 -22.238223 -15.392777 -3.084644 H C-CT--0.241300(PDBName=CB,ResName=CYM,ResNum=53) 0 -20.662209 -13.966217 -3.114590 H H-H1-0.112200(PDBName=HB3,ResName=CYM,ResNum=53) 0 -20.285282 -13.083773 -2.594631 H H-H1-0.112200(PDBName=HB2,ResName=CYM,ResNum=53) 0 -20.948819 -13.660961 -4.119995 H S-SH--0.884400(PDBName=SG,ResName=CYM,ResNum=53) 0 -19.175244 -15.001285 -3.280442 H C-C-0.597300(PDBName=C,ResName=CYM,ResNum=53) 0 -21.445788 -15.304542 -1.096305 H O-O--0.567900(PDBName=O,ResName=CYM,ResNum=53) 0 -21.074371 -14.649197 -0.131678 H N-N--0.415700(PDBName=N,ResName=GLY,ResNum=54) 0 -21.499448 -16.651623 -1.050671 H H-H-0.271900(PDBName=H,ResName=GLY,ResNum=54) 0 -21.988143 -17.137260 -1.796509 H C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=54) 0 -21.230833 -17.352520 0.178583 H H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=54) 0 -21.935418 -17.097249 0.966691 H H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=54) 0 -21.309440 -18.421966 -0.012310 H C-C-0.597300(PDBName=C,ResName=GLY,ResNum=54) 0 -19.840723 -17.069554 0.713841 H O-O--0.567900(PDBName=O,ResName=GLY,ResNum=54) 0 -19.604977 -17.020041 1.913092 H N-N--0.415700(PDBName=N,ResName=HID,ResNum=55) 0 -18.908513 -16.914191 -0.227929 H H-H-0.271900(PDBName=H,ResName=HID,ResNum=55) 0 -19.205192 -16.888225 -1.191201 H C-CT-0.018800(PDBName=CA,ResName=HID,ResNum=55) 0 -17.531128 -16.627460 0.061987 H H-H1-0.088100(PDBName=HA,ResName=HID,ResNum=55) 0 -17.190336 -17.294778 0.852578 H C-CT--0.046200(PDBName=CB,ResName=HID,ResNum=55) 0 -16.719713 -16.867502 -1.220329 H H-HC-0.040200(PDBName=HB2,ResName=HID,ResNum=55) 0 -17.089489 -16.209033 -2.005362 H H-HC-0.040200(PDBName=HB3,ResName=HID,ResNum=55) 0 -15.687327 -16.580725 -1.056445 H C-CC--0.026600(PDBName=CG,ResName=HID,ResNum=55) 0 -16.812099 -18.280589 -1.679877 H N-NA--0.381100(PDBName=ND1,ResName=HID,ResNum=55) 0 -15.982818 -19.280914 -1.228625 H H-H-0.364900(PDBName=HD1,ResName=HID,ResNum=55) 0 -15.046118 -19.161669 -0.867564 H C-CR-0.205700(PDBName=CE1,ResName=HID,ResNum=55) 0 -16.391732 -20.432843 -1.790635 H H-H5-0.139200(PDBName=HE1,ResName=HID,ResNum=55) 0 -15.881088 -21.367263 -1.642518 H N-NB--0.572700(PDBName=NE2,ResName=HID,ResNum=55) 0 -17.459559 -20.258564 -2.525622 H C-CV-0.129200(PDBName=CD2,ResName=HID,ResNum=55) 0 -17.720045 -18.915212 -2.476940 H H-H4-0.114700(PDBName=HD2,ResName=HID,ResNum=55) 0 -18.525064 -18.481763 -3.045985 H C-C-0.597300(PDBName=C,ResName=HID,ResNum=55) 0 -17.363467 -15.220504 0.641633 H O-O--0.567900(PDBName=O,ResName=HID,ResNum=55) 0 -16.647932 -15.019604 1.621829 H N-N--0.415700(PDBName=N,ResName=CYS,ResNum=56) 0 -18.075655 -14.248511 0.074319 H H-H-0.271900(PDBName=H,ResName=CYS,ResNum=56) 0 -18.545511 -14.406657 -0.801973 H C-CT-0.021300(PDBName=CA,ResName=CYS,ResNum=56) 0 -18.063210 -12.913082 0.610898 H H-H1-0.112400(PDBName=HA,ResName=CYS,ResNum=56) 0 -17.036662 -12.557973 0.666362 H C-CT--0.123100(PDBName=CB,ResName=CYS,ResNum=56) 0 -18.898715 -11.951233 -0.240799 H H-H1-0.111200(PDBName=HB2,ResName=CYS,ResNum=56) 0 -19.862540 -12.413537 -0.448282 H H-H1-0.111200(PDBName=HB3,ResName=CYS,ResNum=56) 0 -19.114128 -11.074942 0.372616 H S-SH--0.311900(PDBName=SG,ResName=CYS,ResNum=56) 0 -18.018414 -11.483383 -1.746150 H H-HS-0.193300(PDBName=HG,ResName=CYS,ResNum=56) 0 -16.964069 -10.352566 0.290401 H C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=120) 0 -11.920235 -15.319579 2.293978 H H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=120) 0 -12.268779 -16.341442 2.432089 H H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=120) 0 -12.659156 -14.635947 2.706051 H N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=120) 0 -11.684903 -15.043907 0.898917 H H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=120) 0 -10.793473 -14.656618 0.617911 H C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=120) 0 -12.367196 -15.635706 -0.073774 H N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=120) 0 -13.480539 -16.306316 0.192133 H H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=120) 0 -13.983681 -16.185715 1.049998 H H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=120) 0 -13.824113 -16.906528 -0.557088 H N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=120) 0 -11.951920 -15.544131 -1.325676 H H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=120) 0 -11.019225 -15.222672 -1.527662 H H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=120) 0 -12.489878 -15.972689 -2.067505 H C-CT-0.090430(PDBName=C1,ResName=GDS,ResNum=238) 0 -12.587559 -18.831295 -3.824355 H C-C-0.795436(PDBName=C15,ResName=GDS,ResNum=238) 0 -13.176869 -18.662733 -2.426209 H O-O2--0.768529(PDBName=O1,ResName=GDS,ResNum=238) 0 -13.165945 -19.642959 -1.654610 H O-O2--0.768529(PDBName=O2,ResName=GDS,ResNum=238) 0 -13.670748 -17.546043 -2.182435 H N-N3--0.516764(PDBName=N1,ResName=GDS,ResNum=238) 0 -11.724515 -20.044299 -3.828076 H H-H-0.336685(PDBName=H21,ResName=GDS,ResNum=238) 0 -12.269165 -20.897810 -3.712177 H H-H-0.336685(PDBName=H22,ResName=GDS,ResNum=238) 0 -11.048801 -20.009271 -3.053765 H H-H-0.336685(PDBName=H25,ResName=GDS,ResNum=238) 0 -11.198442 -20.146682 -4.704597 H H-HP-0.075961(PDBName=H5,ResName=GDS,ResNum=238) 0 -11.929593 -17.992364 -4.039062 H C-CT-0.021774(PDBName=C7,ResName=GDS,ResNum=238) 0 -13.682154 -18.929104 -4.891519 H H-HC-0.040870(PDBName=H9,ResName=GDS,ResNum=238) 0 -14.427484 -19.662988 -4.579158 H H-HC-0.040870(PDBName=H10,ResName=GDS,ResNum=238) 0 -13.246867 -19.291290 -5.823178 H C-CT--0.669382(PDBName=C11,ResName=GDS,ResNum=238) 0 -14.340004 -17.573231 -5.127590 H H-HC-0.225501(PDBName=H17,ResName=GDS,ResNum=238) 0 -14.625474 -17.116535 -4.184766 H H-HC-0.225501(PDBName=H18,ResName=GDS,ResNum=238) 0 -13.619252 -16.909099 -5.608178 H C-C-1.051032(PDBName=C13,ResName=GDS,ResNum=238) 0 -15.520294 -17.628362 -6.063844 H N-N--0.847389(PDBName=N2,ResName=GDS,ResNum=238) 0 -16.519439 -16.766265 -5.800719 H C-CT-0.125808(PDBName=C2,ResName=GDS,ResNum=238) 0 -17.556673 -16.581597 -6.779210 H C-CT--0.228215(PDBName=C8,ResName=GDS,ResNum=238) 0 -18.734593 -15.762249 -6.252539 H S-S--0.127891(PDBName=S1,ResName=GDS,ResNum=238) 0 -19.557664 -16.415123 -4.746494 H S-S--0.127891(PDBName=S2,ResName=GDS,ResNum=238) 0 -20.079583 -18.686970 -7.811519 H C-CT--0.228215(PDBName=C9,ResName=GDS,ResNum=238) 0 -21.536225 -18.376909 -8.823077 H C-CT-0.125808(PDBName=C5,ResName=GDS,ResNum=238) 0 -22.838133 -18.220674 -8.025630 H C-C-0.499365(PDBName=C19,ResName=GDS,ResNum=238) 0 -23.934528 -18.052431 -9.060596 H N-N--0.214693(PDBName=N4,ResName=GDS,ResNum=238) 0 -24.422934 -16.800546 -9.180528 H C-CT--0.457591(PDBName=C4,ResName=GDS,ResNum=238) 0 -25.487681 -16.376967 -10.036076 H H-H1-0.143996(PDBName=H3,ResName=GDS,ResNum=238) 0 -26.413305 -16.923614 -9.904262 H H-H1-0.143996(PDBName=H4,ResName=GDS,ResNum=238) 0 -25.239443 -16.346660 -11.091937 H H-H-0.267948(PDBName=H30,ResName=GDS,ResNum=238) 0 -24.189904 -16.085031 -8.521185 H O-O--0.591564(PDBName=O11,ResName=GDS,ResNum=238) 0 -24.290843 -18.952194 -9.806258 H N-N--0.847389(PDBName=N5,ResName=GDS,ResNum=238) 0 -23.163303 -19.317124 -7.160215 H C-C-1.051032(PDBName=C14,ResName=GDS,ResNum=238) 0 -23.717151 -19.131069 -5.959217 H C-CT--0.669382(PDBName=C12,ResName=GDS,ResNum=238) 0 -24.231776 -20.407916 -5.320185 H H-HC-0.225501(PDBName=H19,ResName=GDS,ResNum=238) 0 -23.401980 -21.066156 -5.082082 H H-HC-0.225501(PDBName=H20,ResName=GDS,ResNum=238) 0 -24.850171 -20.899908 -6.073136 H O-O--0.715130(PDBName=O12,ResName=GDS,ResNum=238) 0 -23.781782 -18.040601 -5.379492 H H-H-0.433401(PDBName=H28,ResName=GDS,ResNum=238) 0 -23.150589 -20.254583 -7.568063 H H-H1-0.041154(PDBName=H7,ResName=GDS,ResNum=238) 0 -22.762593 -17.335289 -7.404622 H H-H1-0.190294(PDBName=H13,ResName=GDS,ResNum=238) 0 -21.690891 -19.160040 -9.564268 H H-H1-0.190294(PDBName=H14,ResName=GDS,ResNum=238) 0 -21.449808 -17.440522 -9.398189 H H-H1-0.190294(PDBName=H11,ResName=GDS,ResNum=238) 0 -19.503314 -15.760090 -7.022332 H H-H1-0.190294(PDBName=H12,ResName=GDS,ResNum=238) 0 -18.457535 -14.736751 -6.038402 H C-C-0.499365(PDBName=C16,ResName=GDS,ResNum=238) 0 -16.939376 -15.872171 -8.002588 H O-O--0.591564(PDBName=O10,ResName=GDS,ResNum=238) 0 -15.988679 -15.118072 -7.850769 H N-N--0.214693(PDBName=N3,ResName=GDS,ResNum=238) 0 -17.455390 -16.121252 -9.212979 H C-CT--0.457591(PDBName=C3,ResName=GDS,ResNum=238) 0 -16.875191 -15.515225 -10.423689 L H-H 113 0.0000 C-C-1.004947(PDBName=C17,ResName=GDS,ResNum=238) 0 -17.814938 -14.525506 -11.093173 L O-O2--0.856478(PDBName=O3,ResName=GDS,ResNum=238) 0 -18.981101 -14.924169 -11.317042 L O-O2--0.856478(PDBName=O4,ResName=GDS,ResNum=238) 0 -17.402404 -13.379404 -11.393955 L H-H1-0.143996(PDBName=H1,ResName=GDS,ResNum=238) 0 -16.665049 -16.286622 -11.159492 L H-H1-0.143996(PDBName=H2,ResName=GDS,ResNum=238) 0 -15.959035 -14.972344 -10.213408 L H-H-0.267948(PDBName=H29,ResName=GDS,ResNum=238) 0 -18.089304 -16.898026 -9.404809 H H-H1-0.041154(PDBName=H6,ResName=GDS,ResNum=238) 0 -17.932126 -17.553853 -7.087532 H H-H-0.433401(PDBName=H27,ResName=GDS,ResNum=238) 0 -16.341079 -16.000242 -5.162661 H O-O--0.715130(PDBName=O9,ResName=GDS,ResNum=238) 0 -15.551386 -18.388732 -7.021668 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=252) 0 -18.321466 -18.515556 -10.474441 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=252) 0 -19.150121 -18.455444 -11.001904 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=252) 0 -18.704041 -18.840492 -9.629161 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=254) 0 -17.232154 -23.019820 -3.382557 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=254) 0 -17.523938 -22.099118 -3.328787 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=254) 0 -17.393998 -23.279181 -4.290319 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=256) 0 -20.704722 -13.350601 -6.440656 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=256) 0 -20.423516 -13.632592 -7.330075 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=256) 0 -21.663186 -13.456473 -6.515727 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=268) 0 -23.541127 -17.528407 -2.752686 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=268) 0 -23.570091 -17.757172 -3.723269 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=268) 0 -24.200920 -16.808423 -2.745109 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=373) 0 -16.697099 -10.169034 1.210571 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=373) 0 -16.532248 -8.746471 2.040000 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=373) 0 -17.201693 -10.768751 1.777396 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=800) 0 410.727526 -26.715036 -54.507480 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=800) 0 410.091798 -27.430156 -54.534181 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=800) 0 410.202345 -25.934176 -54.332258 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1001) 0 -20.334771 -14.454646 -9.036606 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1001) 0 -21.260789 -14.516697 -9.400965 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1001) 0 -19.855335 -14.721419 -9.863438 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1076) 0 -14.748067 -19.226837 -10.733470 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1076) 0 -14.418498 -18.445707 -11.213426 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1076) 0 -15.589239 -18.958738 -10.352568 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1088) 0 -20.441887 -22.002995 -7.859914 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1088) 0 -20.249463 -21.050649 -7.769289 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1088) 0 -21.268271 -22.005489 -8.361323 H C-C-0.597300(PDBName=C,ResName=CYS,ResNum=56) 0 -18.599278 -12.893875 2.020317 H O-O--0.567900(PDBName=O,ResName=CYS,ResNum=56) 0 -18.158980 -12.107769 2.854338 H N-N--0.347900(PDBName=N,ResName=LYS,ResNum=57) 0 -19.615514 -13.730201 2.263232 H H-H-0.274700(PDBName=H,ResName=LYS,ResNum=57) 0 -20.015042 -14.286839 1.517676 H C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=81) 0 -18.448645 -3.239447 4.329187 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=81) 0 -19.010990 -3.932192 3.701829 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=81) 0 -17.911157 -3.801276 5.095134 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=81) 0 -19.398556 -2.236084 4.993820 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=81) 0 -18.857930 -1.717348 5.791903 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=81) 0 -19.683703 -1.492891 4.243433 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=81) 0 -20.635658 -2.844225 5.534909 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=81) 0 -21.243194 -2.098284 5.875089 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=81) 0 -21.160924 -3.309888 4.807440 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=81) 0 -20.470995 -3.469518 6.318334 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=241) 0 -20.354853 -1.602451 0.947330 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=241) 0 -19.878863 -0.954878 0.385617 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=241) 0 -21.277695 -1.375577 0.740966 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=247) 0 -13.163375 -18.997309 -8.364075 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=247) 0 -13.981533 -18.822038 -7.876905 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=247) 0 -13.497348 -19.254450 -9.236126 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=290) 0 -25.707789 -21.214820 -8.807418 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=290) 0 -26.167677 -20.561520 -8.236355 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=290) 0 -25.282227 -20.622516 -9.444373 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=300) 0 -21.333521 -22.932042 -3.104524 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=300) 0 -22.234488 -22.577484 -2.962786 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=300) 0 -20.750147 -22.524231 -2.451985 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=510) 0 -19.746358 -21.540374 -1.140729 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=510) 0 -19.062791 -21.800763 -0.498783 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=510) 0 -19.228865 -21.050244 -1.794595 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=702) 0 -22.887943 -17.036128 -11.882017 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=702) 0 -23.572349 -17.567074 -11.458597 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=702) 0 -22.866226 -16.245711 -11.313112 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=714) 0 -20.617218 -18.718032 -11.977177 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=714) 0 -21.367833 -18.115991 -11.827616 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=714) 0 -20.241509 -18.414588 -12.822221 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=928) 0 -23.226992 -22.020701 -7.972851 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=928) 0 -24.165722 -21.971866 -8.231495 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=928) 0 -23.138811 -22.493474 -7.135467 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1135) 0 -17.137141 -6.283031 6.037243 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1135) 0 -16.577468 -6.410356 5.258669 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1135) 0 -16.909898 -7.012629 6.626302 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1274) 0 -25.132096 -5.049654 22.656016 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1274) 0 -25.428602 -5.805958 22.140124 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1274) 0 -24.305910 -4.805850 22.178174 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1283) 0 -21.854954 -23.114104 -5.785927 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1283) 0 -21.445637 -22.956393 -4.920333 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1283) 0 -21.217331 -22.778705 -6.449369 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=249) 0 -12.772043 -14.877344 -4.221819 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=249) 0 -13.742810 -14.855612 -4.296181 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=249) 0 -12.584519 -13.934036 -4.021965 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=265) 0 -24.721348 -17.804529 -0.134515 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=265) 0 -24.177260 -17.862534 -0.942699 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=265) 0 -24.307506 -18.495612 0.422378 L N-N3-0.159200(PDBName=N,ResName=MET,ResNum=1) 0 -13.145116 23.721404 -12.945343 L H-H-0.198400(PDBName=H1,ResName=MET,ResNum=1) 0 -13.671494 22.869772 -13.086197 L H-H-0.198400(PDBName=H2,ResName=MET,ResNum=1) 0 -12.187535 23.474149 -12.722002 L H-H-0.198400(PDBName=H3,ResName=MET,ResNum=1) 0 -13.131520 24.235788 -13.817840 L C-CT-0.022100(PDBName=CA,ResName=MET,ResNum=1) 0 -13.756818 24.525222 -11.872128 L H-HP-0.111600(PDBName=HA,ResName=MET,ResNum=1) 0 -13.229038 25.476585 -11.807935 L C-CT-0.086500(PDBName=CB,ResName=MET,ResNum=1) 0 -15.233329 24.807720 -12.194226 L H-HC-0.012500(PDBName=HB2,ResName=MET,ResNum=1) 0 -15.301739 25.217249 -13.202587 L H-HC-0.012500(PDBName=HB3,ResName=MET,ResNum=1) 0 -15.795400 23.875387 -12.168337 L C-CT-0.033400(PDBName=CG,ResName=MET,ResNum=1) 0 -15.886962 25.804579 -11.233311 L H-H1-0.029200(PDBName=HG2,ResName=MET,ResNum=1) 0 -15.757625 25.459399 -10.207175 L H-H1-0.029200(PDBName=HG3,ResName=MET,ResNum=1) 0 -15.388657 26.768092 -11.345170 L S-S--0.277400(PDBName=SD,ResName=MET,ResNum=1) 0 -17.660174 26.031791 -11.531013 L C-CT--0.034100(PDBName=CE,ResName=MET,ResNum=1) 0 -17.978041 27.496478 -10.514070 L H-H1-0.059700(PDBName=HE1,ResName=MET,ResNum=1) 0 -17.323344 28.312810 -10.821769 L H-H1-0.059700(PDBName=HE2,ResName=MET,ResNum=1) 0 -19.018041 27.803529 -10.627268 L H-H1-0.059700(PDBName=HE3,ResName=MET,ResNum=1) 0 -17.793016 27.258787 -9.468343 L C-C-0.612300(PDBName=C,ResName=MET,ResNum=1) 0 -13.564970 23.789654 -10.552959 L O-O--0.571300(PDBName=O,ResName=MET,ResNum=1) 0 -14.401927 22.977211 -10.153304 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=2) 0 -12.422725 24.016656 -9.906924 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=2) 0 -11.813945 24.754431 -10.253252 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=2) 0 -11.998266 23.297698 -8.709476 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=2) 0 -12.410272 22.290924 -8.758040 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=2) 0 -10.461079 23.176748 -8.724548 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=2) 0 -10.168145 22.618261 -9.614119 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=2) 0 -10.023706 24.174315 -8.795173 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=2) 0 -9.870330 22.475387 -7.486821 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=2) 0 -10.007436 23.103121 -6.608264 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=2) 0 -10.519205 21.122632 -7.219845 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=2) 0 -10.387882 20.464425 -8.078572 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=2) 0 -10.051794 20.672790 -6.347833 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=2) 0 -11.575379 21.235905 -6.995168 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=2) 0 -8.375349 22.260864 -7.680178 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=2) 0 -7.898034 23.223790 -7.841273 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=2) 0 -7.950564 21.802149 -6.786753 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=2) 0 -8.192446 21.611305 -8.536195 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=2) 0 -12.553248 23.958821 -7.442039 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=2) 0 -11.890375 24.800391 -6.830586 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=3) 0 -13.777314 23.591937 -7.045811 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=3) 0 -14.300267 22.943131 -7.622654 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=3) 0 -14.405789 24.073166 -5.804726 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=3) 0 -13.641127 24.054222 -5.029139 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=3) 0 -14.857043 25.533508 -6.010453 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=3) 0 -14.412381 25.930361 -6.921110 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=3) 0 -15.935486 25.594668 -6.129150 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=3) 0 -14.397490 26.419772 -4.848244 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=3) 0 -14.973390 26.170236 -3.960242 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=3) 0 -13.338812 26.245258 -4.649798 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=3) 0 -14.582331 27.899835 -5.188515 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=3) 0 -13.984958 28.123198 -6.072234 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=3) 0 -15.627982 28.099301 -5.422642 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=3) 0 -14.144383 28.767009 -4.086040 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=3) 0 -13.249858 29.230026 -4.174184 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=3) 0 -14.776735 28.970163 -2.949004 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=3) 0 -15.939579 28.459232 -2.678033 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=3) 0 -16.421175 27.889923 -3.364130 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=3) 0 -16.334699 28.622993 -1.770777 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=3) 0 -14.222741 29.694186 -2.031315 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=3) 0 -13.318867 30.107749 -2.217373 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=3) 0 -14.628896 29.737496 -1.105878 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=3) 0 -15.531562 23.153207 -5.312591 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=3) 0 -15.969891 22.272335 -6.048219 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=4) 0 -15.913229 23.319439 -4.041249 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=4) 0 -15.443813 24.069770 -3.544176 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=4) 0 -16.832608 22.518422 -3.204830 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=4) 0 -16.357128 22.505606 -2.224531 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=4) 0 -18.184091 23.216031 -2.988192 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=4) 0 -18.023974 24.281018 -2.811805 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=4) 0 -18.813209 23.099213 -3.865710 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=4) 0 -18.893405 22.615483 -1.767721 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=4) 0 -18.929388 21.528485 -1.848817 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=4) 0 -18.336012 22.879830 -0.869363 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=4) 0 -20.327068 23.128043 -1.659422 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=4) 0 -20.325420 24.218295 -1.601561 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=4) 0 -20.861979 22.816092 -2.556780 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=4) 0 -20.986154 22.565916 -0.471923 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=4) 0 -20.384497 22.214742 0.267162 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=4) 0 -22.280180 22.504201 -0.240434 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=4) 0 -23.165106 22.979847 -1.063037 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=4) 0 -22.876855 23.387262 -1.948111 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=4) 0 -24.142687 22.915361 -0.816355 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=4) 0 -22.736467 21.948331 0.838858 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=4) 0 -22.121011 21.488167 1.501273 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=4) 0 -23.741550 21.896576 0.937637 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=4) 0 -16.949714 21.033804 -3.557101 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=4) 0 -16.231409 20.240767 -2.960251 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=5) 0 -17.826099 20.645873 -4.485771 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=5) 0 -18.352994 21.356586 -4.982234 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=5) 0 -18.033186 19.245069 -4.874848 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=5) 0 -18.120268 18.656094 -3.959588 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=5) 0 -19.368343 19.136094 -5.622604 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=5) 0 -19.306246 19.665143 -6.573320 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=5) 0 -19.598966 18.087268 -5.814432 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=5) 0 -20.169863 19.565691 -5.020504 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=5) 0 -16.857062 18.625791 -5.667195 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=5) 0 -16.965521 17.492284 -6.140383 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=6) 0 -15.751616 19.360230 -5.824978 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=6) 0 -15.803309 20.331296 -5.549261 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=6) 0 -14.483880 18.886280 -6.379424 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=6) 0 -14.546967 17.803865 -6.496396 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=6) 0 -14.300750 19.548759 -7.760590 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=6) 0 -15.275515 19.779327 -8.195394 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=6) 0 -13.777855 20.495033 -7.624362 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=6) 0 -13.530752 18.668999 -8.759060 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=6) 0 -12.649976 18.232518 -8.291052 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=6) 0 -14.426739 17.551352 -9.285192 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=6) 0 -15.312997 17.972549 -9.752548 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=6) 0 -13.881612 16.959967 -10.016148 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=6) 0 -14.733791 16.898977 -8.470126 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=6) 0 -13.077143 19.510556 -9.948129 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=6) 0 -12.338778 20.235107 -9.614592 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=6) 0 -12.616859 18.863886 -10.693920 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=6) 0 -13.924630 20.031659 -10.389564 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=6) 0 -13.271268 19.148186 -5.458973 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=6) 0 -12.141771 18.838683 -5.844607 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=7) 0 -13.453000 19.733270 -4.267267 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=7) 0 -14.396773 19.783260 -3.896665 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=7) 0 -12.364169 20.306251 -3.461355 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=7) 0 -11.410158 19.909490 -3.812315 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=7) 0 -12.364299 21.830730 -3.693241 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=7) 0 -12.223473 22.020610 -4.757439 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=7) 0 -13.342286 22.216433 -3.404807 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=7) 0 -11.296455 22.613482 -2.906346 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=7) 0 -11.448146 22.476133 -1.836002 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=7) 0 -9.880687 22.175353 -3.268834 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=7) 0 -9.722448 22.238220 -4.344379 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=7) 0 -9.166076 22.822113 -2.767808 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=7) 0 -9.700049 21.154078 -2.936315 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=7) 0 -11.424269 24.104492 -3.214922 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=7) 0 -12.419936 24.453713 -2.946635 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=7) 0 -10.694006 24.663935 -2.629956 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=7) 0 -11.244710 24.281879 -4.273331 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=7) 0 -12.473059 19.979731 -1.963486 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=7) 0 -13.403653 20.427675 -1.290154 L N-N--0.415700(PDBName=N,ResName=CYS,ResNum=8) 0 -11.451525 19.320849 -1.412785 L H-H-0.271900(PDBName=H,ResName=CYS,ResNum=8) 0 -10.716433 18.970661 -2.019025 L C-CT-0.021300(PDBName=CA,ResName=CYS,ResNum=8) 0 -11.269336 19.186864 0.031719 L H-H1-0.112400(PDBName=HA,ResName=CYS,ResNum=8) 0 -12.206121 18.838514 0.471214 L C-CT--0.123100(PDBName=CB,ResName=CYS,ResNum=8) 0 -10.186430 18.141985 0.312426 L H-H1-0.111200(PDBName=HB2,ResName=CYS,ResNum=8) 0 -10.364187 17.261993 -0.299837 L H-H1-0.111200(PDBName=HB3,ResName=CYS,ResNum=8) 0 -9.200915 18.541093 0.067157 L S-SH--0.311900(PDBName=SG,ResName=CYS,ResNum=8) 0 -10.249477 17.687924 2.068617 L H-HS-0.193300(PDBName=HG,ResName=CYS,ResNum=8) 0 -11.369444 16.949594 1.985669 L C-C-0.597300(PDBName=C,ResName=CYS,ResNum=8) 0 -10.902004 20.545067 0.647927 L O-O--0.567900(PDBName=O,ResName=CYS,ResNum=8) 0 -9.759169 20.998818 0.557780 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=9) 0 -11.874020 21.215785 1.260781 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=9) 0 -12.792756 20.793045 1.313597 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=9) 0 -11.707587 22.545220 1.843287 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=9) 0 -10.894748 23.048099 1.319422 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=9) 0 -13.014417 23.320467 1.608916 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=9) 0 -13.443124 23.039067 0.645147 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=9) 0 -13.726335 23.035965 2.383603 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=9) 0 -12.825231 24.839762 1.626695 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=9) 0 -12.217803 25.115497 2.485008 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=9) 0 -12.160300 25.339739 0.340454 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=9) 0 -12.775498 25.115100 -0.524037 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=9) 0 -12.010205 26.415539 0.393513 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=9) 0 -11.190444 24.867636 0.198472 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=9) 0 -14.185417 25.510205 1.772254 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=9) 0 -14.600500 25.263908 2.748462 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=9) 0 -14.070461 26.587996 1.701779 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=9) 0 -14.864059 25.162476 0.997063 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=9) 0 -11.321986 22.454755 3.329153 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=9) 0 -11.743312 21.519325 4.011446 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=10) 0 -10.549593 23.418507 3.839246 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=10) 0 -10.246129 24.169179 3.229904 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=10) 0 -10.096127 23.464743 5.233972 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=10) 0 -9.810764 22.460219 5.547325 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=10) 0 -8.844910 24.353122 5.299588 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=10) 0 -9.088842 25.374428 5.004720 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=10) 0 -8.455140 24.357269 6.318199 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=10) 0 -8.076512 23.964813 4.630789 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=10) 0 -11.223831 23.950859 6.166441 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=10) 0 -11.375151 25.155226 6.395128 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=11) 0 -12.092277 23.039382 6.619164 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=11) 0 -11.915053 22.062145 6.398262 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=11) 0 -13.402679 23.390566 7.203945 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=11) 0 -13.267876 24.269535 7.834018 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=11) 0 -14.332102 23.782141 6.025906 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=11) 0 -13.720949 24.280592 5.271999 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=11) 0 -14.972127 22.586533 5.316732 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=11) 0 -15.858459 22.234328 5.841198 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=11) 0 -15.252110 22.879165 4.310202 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=11) 0 -14.251915 21.772269 5.243025 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=11) 0 -15.375894 24.829748 6.421055 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=11) 0 -14.883155 25.680451 6.892629 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=11) 0 -15.879862 25.185130 5.525242 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=11) 0 -16.119099 24.422965 7.099432 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=11) 0 -13.957241 22.271731 8.115678 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=11) 0 -13.194926 21.417791 8.575225 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=12) 0 -15.260821 22.289537 8.419474 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=12) 0 -15.813058 23.054291 8.066668 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=12) 0 -15.995053 21.206002 9.077912 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=12) 0 -15.395918 20.293762 9.052545 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=12) 0 -16.207538 21.587164 10.549572 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=12) 0 -16.778742 22.513595 10.623414 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=12) 0 -16.752197 20.789566 11.056574 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=12) 0 -15.241476 21.716678 11.039240 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=12) 0 -17.317727 20.901541 8.336502 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=12) 0 -18.372902 21.467498 8.641239 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=13) 0 -17.261495 20.031132 7.330395 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=13) 0 -16.347270 19.649330 7.097677 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=13) 0 -18.401102 19.493095 6.581644 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=13) 0 -19.329566 19.854993 7.020834 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=13) 0 -18.326185 20.009029 5.138752 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=13) 0 -17.398386 19.673985 4.670793 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=13) 0 -19.169413 19.627576 4.561967 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=13) 0 -18.355438 21.099045 5.132763 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=13) 0 -18.426901 17.953045 6.655159 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=13) 0 -17.382971 17.335674 6.879965 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=14) 0 -19.602677 17.339336 6.466977 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=14) 0 -20.404010 17.934707 6.307499 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=14) 0 -19.863375 15.889175 6.542169 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=14) 0 -20.947997 15.773413 6.536933 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=14) 0 -19.381932 15.222853 5.235993 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=14) 0 -19.994838 15.617397 4.423873 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=14) 0 -18.363137 15.543317 5.041210 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=14) 0 -19.408422 13.685110 5.155614 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=14) 0 -18.710496 13.268807 5.877030 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=14) 0 -20.786794 13.092856 5.432126 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=14) 0 -21.496552 13.444762 4.688924 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=14) 0 -20.730832 12.005188 5.377055 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=14) 0 -21.126185 13.364324 6.430602 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=14) 0 -18.959209 13.270208 3.753464 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=14) 0 -17.929213 13.585273 3.587115 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=14) 0 -19.015292 12.189665 3.647699 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=14) 0 -19.596486 13.729163 3.001614 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=14) 0 -19.419428 15.249605 7.879876 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=14) 0 -20.233165 15.180669 8.803270 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=15) 0 -18.159632 14.835671 8.022360 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=15) 0 -17.544459 14.960792 7.225344 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=15) 0 -17.538936 14.356049 9.277311 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=15) 0 -17.994451 14.882910 10.116440 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=15) 0 -17.797660 12.842921 9.462387 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=15) 0 -18.867486 12.674347 9.343760 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=15) 0 -17.071108 11.962360 8.439667 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=15) 0 -15.993807 12.075843 8.544110 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=15) 0 -17.325584 10.915436 8.606797 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=15) 0 -17.367897 12.232752 7.429370 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=15) 0 -17.426205 12.365899 10.867130 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=15) 0 -17.969712 12.950857 11.604666 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=15) 0 -17.704246 11.318359 10.982082 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=15) 0 -16.356445 12.459666 11.044181 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=15) 0 -16.039228 14.684034 9.283026 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=15) 0 -15.441247 14.778849 8.208343 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=16) 0 -15.398099 14.865172 10.444886 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=16) 0 -15.926998 14.800159 11.310042 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=16) 0 -13.936255 15.060403 10.523851 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=16) 0 -13.676333 15.932963 9.925881 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=16) 0 -13.512615 15.321903 11.979728 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=16) 0 -14.164175 16.073810 12.419627 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=16) 0 -13.644866 14.400271 12.546381 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=16) 0 -12.058526 15.813811 12.118733 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=16) 0 -11.409333 15.336580 11.391769 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=16) 0 -12.022127 16.891566 11.955563 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=16) 0 -11.514194 15.476081 13.505716 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=16) 0 -12.105529 16.003284 14.251210 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=16) 0 -11.626047 14.405142 13.681225 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=16) 0 -10.099940 15.851214 13.663016 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=16) 0 -9.904188 16.638612 14.269892 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=16) 0 -9.050901 15.130604 13.316110 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=16) 0 -9.122628 14.018690 12.649353 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=16) 0 -10.018410 13.604601 12.414069 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=16) 0 -8.285724 13.463954 12.560263 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=16) 0 -7.852583 15.498221 13.648935 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=16) 0 -7.711681 16.256929 14.301392 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=16) 0 -7.110299 14.832085 13.481606 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=16) 0 -13.179766 13.844437 9.969430 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=16) 0 -13.571575 12.706103 10.226468 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=17) 0 -12.047690 14.089455 9.307833 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=17) 0 -11.814200 15.055508 9.113935 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=17) 0 -11.050926 13.077382 8.958091 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=17) 0 -11.491899 12.425298 8.209040 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=17) 0 -9.846035 13.789922 8.334686 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=17) 0 -9.372202 14.441635 9.070325 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=17) 0 -9.115965 13.060543 7.980990 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=17) 0 -10.176749 14.387731 7.486589 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=17) 0 -10.638510 12.176684 10.142053 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=17) 0 -10.962837 12.452105 11.297505 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=18) 0 -9.957684 11.070844 9.835108 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=18) 0 -9.690085 10.969220 8.865520 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=18) 0 -9.913723 9.820835 10.615609 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=18) 0 -9.238749 9.164177 10.067315 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=18) 0 -9.267702 10.000554 11.999534 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=18) 0 -8.295383 10.478790 11.880002 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=18) 0 -9.887497 10.640665 12.625469 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=18) 0 -9.086277 8.654215 12.703478 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=18) 0 -8.182166 7.887720 12.300700 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=18) 0 -9.853700 8.363427 13.657162 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=18) 0 -11.254439 9.061028 10.664832 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=18) 0 -11.238429 7.832284 10.712718 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=19) 0 -12.405165 9.729318 10.534587 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=19) 0 -12.381436 10.740327 10.528240 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=19) 0 -13.629383 9.091779 10.054568 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=19) 0 -13.575490 8.019812 10.228983 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=19) 0 -14.843190 9.573788 10.852816 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=19) 0 -14.997196 10.637541 10.693501 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=19) 0 -15.733296 9.040693 10.516209 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=19) 0 -14.693698 9.380472 11.913609 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=19) 0 -13.781549 9.356276 8.543649 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=19) 0 -14.037838 10.494174 8.143784 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=20) 0 -13.635179 8.338302 7.682760 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=20) 0 -13.086247 7.026006 7.981546 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=20) 0 -13.713683 6.488662 8.693395 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=20) 0 -12.075108 7.128750 8.371610 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=20) 0 -13.056027 6.275168 6.655397 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=20) 0 -13.872481 5.553985 6.623494 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=20) 0 -12.093240 5.792652 6.526915 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=20) 0 -13.277737 7.346204 5.592491 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=20) 0 -13.729178 6.939451 4.687266 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=20) 0 -12.323652 7.812868 5.352434 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=20) 0 -14.168783 8.353266 6.326234 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=20) 0 -14.086032 9.335645 5.860788 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=20) 0 -15.649212 7.937699 6.405255 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=20) 0 -16.272726 8.009877 7.470935 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=21) 0 -16.226618 7.420278 5.321053 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=21) 0 -15.700161 7.345759 4.465251 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=21) 0 -17.424657 6.598470 5.485757 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=21) 0 -17.995862 7.071738 6.271347 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=21) 0 -18.303964 6.612151 4.229501 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=21) 0 -18.366070 7.633453 3.854659 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=21) 0 -17.853322 5.992985 3.453526 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=21) 0 -19.729450 6.124253 4.527157 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=21) 0 -20.345212 6.327910 3.650373 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=21) 0 -19.705378 5.045867 4.694054 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=21) 0 -20.332786 6.819591 5.757074 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=21) 0 -20.796723 7.979254 5.649156 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=21) 0 -20.161398 6.298101 6.886515 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=21) 0 -17.047824 5.194105 5.985567 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=21) 0 -16.116334 4.593817 5.457678 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=22) 0 -17.719995 4.677723 7.020188 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=22) 0 -18.548758 5.163956 7.348684 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=22) 0 -17.382378 3.400300 7.673899 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=22) 0 -17.097530 2.700102 6.894390 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=22) 0 -16.159439 3.536275 8.606995 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=22) 0 -16.014216 2.580332 9.112671 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=22) 0 -15.268519 3.722343 8.008514 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=22) 0 -16.255034 4.647464 9.659299 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=22) 0 -16.024308 5.609228 9.196795 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=22) 0 -17.270768 4.697818 10.045427 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=22) 0 -15.294760 4.379822 10.821104 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=22) 0 -14.070754 4.608529 10.687438 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=22) 0 -15.760674 3.932477 11.902170 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=22) 0 -18.565633 2.752879 8.424006 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=22) 0 -19.418907 3.441584 8.990673 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=23) 0 -18.594429 1.418326 8.438801 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=23) 0 -17.829558 0.929789 7.975061 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=23) 0 -19.562598 0.540593 9.117223 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=23) 0 -20.070663 1.077739 9.919153 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=23) 0 -20.598378 -0.004065 8.114795 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=23) 0 -20.056294 -0.495332 7.306682 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=23) 0 -21.203314 -0.759609 8.617859 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=23) 0 -21.547510 1.049243 7.516826 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=23) 0 -22.206904 1.410325 8.306596 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=23) 0 -20.964378 1.895047 7.152622 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=23) 0 -22.392277 0.515349 6.344912 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=23) 0 -22.319903 -0.698094 6.013838 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=23) 0 -23.125747 1.321861 5.723686 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=23) 0 -18.788502 -0.649698 9.709797 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=23) 0 -17.919071 -1.194614 9.035212 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=24) 0 -19.057005 -1.061679 10.954693 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=24) 0 -19.810458 -0.617776 11.456981 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=24) 0 -18.195616 -2.003068 11.708690 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=24) 0 -18.549556 -2.002386 12.740543 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=24) 0 -18.337952 -3.448951 11.193605 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=24) 0 -17.977594 -3.519311 10.166546 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=24) 0 -17.708326 -4.090371 11.807918 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=24) 0 -19.754382 -4.000050 11.279205 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=24) 0 -20.308064 -4.426484 10.235482 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=24) 0 -20.289136 -4.101648 12.403221 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=24) 0 -16.709445 -1.568126 11.774436 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=24) 0 -15.804733 -2.398454 11.881436 L N-N--0.415700(PDBName=N,ResName=HID,ResNum=25) 0 -16.438008 -0.264020 11.662242 L H-H-0.271900(PDBName=H,ResName=HID,ResNum=25) 0 -17.228282 0.373430 11.631216 L C-CT-0.018800(PDBName=CA,ResName=HID,ResNum=25) 0 -15.119054 0.339153 11.420120 L H-H1-0.088100(PDBName=HA,ResName=HID,ResNum=25) 0 -15.307099 1.400926 11.273701 L C-CT--0.046200(PDBName=CB,ResName=HID,ResNum=25) 0 -14.231548 0.234551 12.668014 L H-HC-0.040200(PDBName=HB2,ResName=HID,ResNum=25) 0 -13.955432 -0.807147 12.835439 L H-HC-0.040200(PDBName=HB3,ResName=HID,ResNum=25) 0 -13.314674 0.800242 12.503533 L C-CC--0.026600(PDBName=CG,ResName=HID,ResNum=25) 0 -14.904729 0.776726 13.900279 L N-NA--0.381100(PDBName=ND1,ResName=HID,ResNum=25) 0 -15.476362 2.021327 14.031736 L H-H-0.364900(PDBName=HD1,ResName=HID,ResNum=25) 0 -15.554934 2.724652 13.299123 L C-CR-0.205700(PDBName=CE1,ResName=HID,ResNum=25) 0 -16.000722 2.113624 15.263670 L H-H5-0.139200(PDBName=HE1,ResName=HID,ResNum=25) 0 -16.532610 2.975412 15.650245 L N-NB--0.572700(PDBName=NE2,ResName=HID,ResNum=25) 0 -15.773520 0.980221 15.949827 L C-CV-0.129200(PDBName=CD2,ResName=HID,ResNum=25) 0 -15.098640 0.114304 15.079882 L H-H4-0.114700(PDBName=HD2,ResName=HID,ResNum=25) 0 -14.789241 -0.900218 15.296008 L C-C-0.597300(PDBName=C,ResName=HID,ResNum=25) 0 -14.416016 -0.094414 10.120961 L O-O--0.567900(PDBName=O,ResName=HID,ResNum=25) 0 -13.281074 0.325317 9.875627 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=26) 0 -15.092271 -0.858548 9.260378 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=26) 0 -16.039006 -1.130306 9.508551 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=26) 0 -14.681092 -1.138428 7.884187 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=26) 0 -13.599762 -1.249503 7.866069 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=26) 0 -15.312395 -2.444851 7.357136 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=26) 0 -16.385464 -2.309232 7.226561 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=26) 0 -14.707337 -2.806994 6.000970 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=26) 0 -13.627805 -2.917440 6.091493 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=26) 0 -15.137499 -3.745329 5.651050 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=26) 0 -14.932973 -2.026509 5.279766 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=26) 0 -15.090006 -3.647444 8.282577 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=26) 0 -15.582805 -4.526360 7.865701 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=26) 0 -14.026082 -3.850883 8.384701 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=26) 0 -15.521929 -3.452860 9.263557 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=26) 0 -15.093338 0.051407 7.014235 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=26) 0 -16.265161 0.429319 6.990161 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=27) 0 -14.150576 0.669511 6.301702 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=27) 0 -13.203607 0.310562 6.351717 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=27) 0 -14.417558 1.871860 5.508836 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=27) 0 -14.938173 2.574192 6.153344 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=27) 0 -13.130658 2.567549 5.019527 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=27) 0 -12.857726 2.141389 4.057851 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=27) 0 -13.393505 3.610652 4.842131 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=27) 0 -11.860907 2.529499 5.888045 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=27) 0 -11.446303 1.529125 5.862403 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=27) 0 -10.811456 3.435618 5.247990 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=27) 0 -11.174440 4.454706 5.165999 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=27) 0 -9.897443 3.420566 5.840978 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=27) 0 -10.593531 3.070103 4.245728 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=27) 0 -12.076133 2.908719 7.351775 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=27) 0 -12.512368 2.065431 7.883977 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=27) 0 -11.123971 3.158155 7.816199 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=27) 0 -12.751452 3.751825 7.438935 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=27) 0 -15.335860 1.527801 4.325489 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=27) 0 -14.971048 0.712494 3.483019 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=28) 0 -16.516694 2.131816 4.226228 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=28) 0 -16.708249 2.895520 4.864322 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=28) 0 -17.503347 1.811067 3.181774 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=28) 0 -17.316440 0.793929 2.835708 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=28) 0 -18.947849 1.828985 3.701172 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=28) 0 -19.290693 2.850336 3.856158 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=28) 0 -19.863520 1.117489 2.704675 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=28) 0 -20.899171 1.180899 3.039168 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=28) 0 -19.792160 1.576312 1.719077 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=28) 0 -19.572206 0.073132 2.634913 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=28) 0 -19.049039 1.083176 5.026839 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=28) 0 -18.797256 1.768976 5.825799 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=28) 0 -20.063391 0.731856 5.176419 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=28) 0 -18.358780 0.242299 5.047838 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=28) 0 -17.283778 2.734027 1.995970 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=28) 0 -17.953725 3.758043 1.840941 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=29) 0 -16.264084 2.402110 1.207161 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=29) 0 -15.787550 1.528982 1.396327 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=29) 0 -15.723637 3.294182 0.188102 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=29) 0 -15.796200 4.309757 0.578060 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=29) 0 -14.230728 3.014230 -0.053683 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=29) 0 -14.118470 2.008490 -0.460294 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=29) 0 -13.863363 3.726550 -0.794370 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=29) 0 -13.372043 3.139278 1.220091 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=29) 0 -13.655442 2.348977 1.907918 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=29) 0 -11.893807 2.956083 0.884483 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=29) 0 -11.559085 3.755039 0.224911 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=29) 0 -11.300684 2.976139 1.797767 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=29) 0 -11.742955 1.995228 0.394013 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=29) 0 -13.547138 4.480064 1.936623 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=29) 0 -14.541006 4.544498 2.378167 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=29) 0 -12.822581 4.566530 2.743164 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=29) 0 -13.408490 5.299344 1.230362 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=29) 0 -16.568457 3.295433 -1.085477 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=29) 0 -17.215419 2.308528 -1.442447 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=30) 0 -16.579348 4.457861 -1.729894 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=30) 0 -15.937352 5.167173 -1.385852 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=30) 0 -17.480963 4.876589 -2.802239 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=30) 0 -18.157787 4.062984 -3.055217 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=30) 0 -18.278722 6.108765 -2.316699 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=30) 0 -17.673113 6.679307 -1.611739 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=30) 0 -18.455162 6.759226 -3.169121 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=30) 0 -19.655388 5.860532 -1.686679 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=30) 0 -20.016106 6.801763 -1.269541 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=30) 0 -20.353655 5.574696 -2.464649 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=30) 0 -19.693943 4.796846 -0.594541 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=30) 0 -19.225307 3.880550 -0.950708 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=30) 0 -19.146950 5.177360 0.267000 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=30) 0 -21.087070 4.489651 -0.245281 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=30) 0 -21.774047 4.528670 -0.990151 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=30) 0 -21.578356 4.192432 0.936360 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=30) 0 -20.846185 4.128845 2.002862 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=30) 0 -19.842108 4.214655 1.936581 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=30) 0 -21.334818 4.147047 2.895728 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=30) 0 -22.845785 3.955570 1.062014 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=30) 0 -23.438614 4.028949 0.247743 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=30) 0 -23.188136 3.584777 1.944019 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=30) 0 -16.693227 5.227671 -4.060520 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=30) 0 -15.535526 5.638502 -3.969386 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=31) 0 -17.348705 5.203110 -5.225725 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=31) 0 -18.311204 4.864615 -5.208862 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=31) 0 -16.790956 5.761979 -6.479216 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=31) 0 -15.834121 5.268367 -6.661137 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=31) 0 -17.688621 5.431534 -7.690794 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=31) 0 -17.258681 5.885641 -8.584016 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=31) 0 -17.685367 4.349402 -7.830489 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=31) 0 -19.143809 5.898025 -7.539385 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=31) 0 -19.565510 5.397220 -6.677601 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=31) 0 -19.173147 6.973608 -7.371553 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=31) 0 -20.047292 5.539388 -8.721733 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=31) 0 -19.828870 4.524354 -9.052536 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=31) 0 -21.081568 5.559906 -8.375776 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=31) 0 -19.900783 6.523568 -9.884734 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=31) 0 -20.128082 7.531856 -9.525719 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=31) 0 -18.869009 6.502709 -10.246890 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=31) 0 -20.828391 6.165124 -10.977902 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=31) 0 -21.795925 6.136672 -10.662339 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=31) 0 -20.772949 6.808697 -11.764466 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=31) 0 -20.609590 5.237866 -11.338832 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=31) 0 -16.425063 7.256376 -6.379083 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=31) 0 -15.672815 7.749135 -7.214444 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=32) 0 -16.848087 7.962576 -5.325436 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=32) 0 -17.511104 7.535166 -4.697768 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=32) 0 -16.284028 9.255119 -4.915120 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=32) 0 -16.160868 9.878679 -5.801542 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=32) 0 -17.242097 9.992051 -3.969234 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=32) 0 -16.736507 10.866829 -3.558937 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=32) 0 -18.119316 10.326213 -4.516689 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=32) 0 -17.655988 9.165832 -2.903009 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=32) 0 -17.929126 9.761208 -2.166828 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=32) 0 -14.909662 9.150501 -4.234556 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=32) 0 -13.957089 9.764411 -4.716197 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=33) 0 -14.815523 8.431859 -3.109293 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=33) 0 -15.612758 7.848031 -2.894078 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=33) 0 -13.972013 8.802720 -1.960025 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=33) 0 -13.552605 9.787025 -2.165945 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=33) 0 -14.879521 8.945422 -0.717162 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=33) 0 -14.330690 9.481186 0.052077 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=33) 0 -15.749090 9.545844 -0.970142 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=33) 0 -15.353114 7.628400 -0.111876 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=33) 0 -15.084626 6.541309 -0.593543 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=33) 0 -16.093411 7.663331 0.968515 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=33) 0 -16.401395 6.787111 1.345598 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=33) 0 -16.359748 8.549445 1.387863 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=33) 0 -12.758028 7.894426 -1.678737 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=33) 0 -12.185177 7.960814 -0.585019 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=34) 0 -12.396173 7.015942 -2.615066 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=34) 0 -12.941272 6.982264 -3.464623 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=34) 0 -11.420668 5.954039 -2.367497 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=34) 0 -11.713976 5.436133 -1.453803 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=34) 0 -11.475776 4.944848 -3.509792 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=34) 0 -12.489037 4.547634 -3.562626 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=34) 0 -11.259477 5.443168 -4.455886 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=34) 0 -10.504912 3.802235 -3.308180 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=34) 0 -10.839496 2.759965 -2.427916 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=34) 0 -11.794926 2.764602 -1.929109 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=34) 0 -9.933865 1.714333 -2.195955 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=34) 0 -10.192034 0.926334 -1.507266 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=34) 0 -8.699114 1.696732 -2.865911 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=34) 0 -8.001364 0.890767 -2.702558 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=34) 0 -8.370678 2.725581 -3.762552 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=34) 0 -7.434815 2.688362 -4.300719 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=34) 0 -9.265675 3.788044 -3.973943 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=34) 0 -9.007000 4.579371 -4.663985 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=34) 0 -9.989593 6.457836 -2.142790 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=34) 0 -9.401552 6.177584 -1.097456 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=35) 0 -9.428536 7.235136 -3.073683 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=35) 0 -9.920599 7.415036 -3.938629 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=35) 0 -8.082617 7.783486 -2.898247 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=35) 0 -7.398562 6.957721 -2.696903 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=35) 0 -7.642506 8.445870 -4.199634 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=35) 0 -8.268079 9.313833 -4.398957 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=35) 0 -6.604034 8.763474 -4.104473 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=35) 0 -7.719737 7.738718 -5.024809 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=35) 0 -7.999950 8.749221 -1.699345 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=35) 0 -6.980665 8.796725 -1.021591 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=36) 0 -9.094266 9.431455 -1.353500 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=36) 0 -9.888149 9.398901 -1.982938 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=36) 0 -9.236094 10.227863 -0.128517 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=36) 0 -8.422457 10.952113 -0.075928 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=36) 0 -10.560696 10.992991 -0.245819 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=36) 0 -10.469974 11.715077 -1.057580 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=36) 0 -11.340031 10.286155 -0.518407 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=36) 0 -11.043058 11.742224 0.995762 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=36) 0 -10.963730 11.118439 1.882304 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=36) 0 -10.433054 12.630875 1.151613 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=36) 0 -12.507612 12.115637 0.788659 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=36) 0 -12.796390 12.984389 -0.066599 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=36) 0 -13.392985 11.519191 1.449053 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=36) 0 -9.188645 9.366321 1.149396 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=36) 0 -8.724999 9.836597 2.192517 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=37) 0 -9.633483 8.107873 1.100881 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=37) 0 -10.020020 7.759964 0.229818 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=37) 0 -9.478340 7.164066 2.206790 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=37) 0 -9.714675 7.665097 3.142521 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=37) 0 -10.471267 6.017272 2.045266 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=37) 0 -11.476382 6.425922 1.953047 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=37) 0 -10.231983 5.431876 1.160178 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=37) 0 -10.423170 5.369976 2.920122 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=37) 0 -8.032463 6.674926 2.320967 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=37) 0 -7.485039 6.679234 3.423204 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=38) 0 -7.377147 6.365950 1.195056 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=38) 0 -7.893550 6.376516 0.320422 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=38) 0 -5.937711 6.085280 1.172692 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=38) 0 -5.734480 5.242677 1.834365 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=38) 0 -5.478704 5.718853 -0.253448 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=38) 0 -5.615299 6.586295 -0.897788 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=38) 0 -4.411715 5.507293 -0.195193 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=38) 0 -6.131247 4.522604 -0.961379 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=38) 0 -7.158132 4.767782 -1.225476 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=38) 0 -5.342671 4.246228 -2.242332 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=38) 0 -4.308401 3.991836 -2.007667 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=38) 0 -5.795962 3.416346 -2.780187 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=38) 0 -5.352340 5.132195 -2.875776 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=38) 0 -6.129333 3.264075 -0.103457 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=38) 0 -6.792775 3.413518 0.739493 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=38) 0 -6.502875 2.422846 -0.687345 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=38) 0 -5.121687 3.055659 0.255827 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=38) 0 -5.123749 7.285872 1.701284 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=38) 0 -4.194410 7.118639 2.490856 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=39) 0 -5.489708 8.507055 1.314085 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=39) 0 -6.208645 8.585414 0.602301 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=39) 0 -4.813006 9.735435 1.721007 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=39) 0 -3.740540 9.570672 1.625495 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=39) 0 -5.201338 10.844230 0.740747 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=39) 0 -6.267327 11.051889 0.808288 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=39) 0 -4.640809 11.752503 0.965796 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=39) 0 -4.965568 10.528898 -0.275419 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=39) 0 -5.076045 10.134309 3.185889 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=39) 0 -4.391300 11.014300 3.708998 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=40) 0 -6.024590 9.486612 3.870127 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=40) 0 -6.590768 8.815459 3.369569 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=40) 0 -6.255984 9.634355 5.309423 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=40) 0 -5.766003 10.540156 5.671614 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=40) 0 -7.757892 9.809379 5.534680 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=40) 0 -8.291683 8.917681 5.204495 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=40) 0 -7.943295 9.969700 6.597152 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=40) 0 -8.116330 10.677226 4.980629 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=40) 0 -5.693668 8.456948 6.130355 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=40) 0 -5.236653 8.662730 7.253964 L N-N--0.415700(PDBName=N,ResName=HID,ResNum=41) 0 -5.681032 7.242564 5.570660 L H-H-0.271900(PDBName=H,ResName=HID,ResNum=41) 0 -6.096728 7.138163 4.651561 L C-CT-0.018800(PDBName=CA,ResName=HID,ResNum=41) 0 -5.268724 6.005535 6.238707 L H-H1-0.088100(PDBName=HA,ResName=HID,ResNum=41) 0 -4.896260 6.235517 7.235278 L C-CT--0.046200(PDBName=CB,ResName=HID,ResNum=41) 0 -6.489717 5.093690 6.403604 L H-HC-0.040200(PDBName=HB2,ResName=HID,ResNum=41) 0 -6.860113 4.807762 5.419683 L H-HC-0.040200(PDBName=HB3,ResName=HID,ResNum=41) 0 -6.183801 4.186599 6.925375 L C-CC--0.026600(PDBName=CG,ResName=HID,ResNum=41) 0 -7.608939 5.748031 7.171418 L N-NA--0.381100(PDBName=ND1,ResName=HID,ResNum=41) 0 -7.601657 6.062531 8.509911 L H-H-0.364900(PDBName=HD1,ResName=HID,ResNum=41) 0 -6.832161 5.908952 9.161997 L C-CR-0.205700(PDBName=CE1,ResName=HID,ResNum=41) 0 -8.772588 6.641477 8.809587 L H-H5-0.139200(PDBName=HE1,ResName=HID,ResNum=41) 0 -9.054004 6.974955 9.800716 L N-NB--0.572700(PDBName=NE2,ResName=HID,ResNum=41) 0 -9.540144 6.746566 7.709373 L C-CV-0.129200(PDBName=CD2,ResName=HID,ResNum=41) 0 -8.804035 6.177010 6.662742 L H-H4-0.114700(PDBName=HD2,ResName=HID,ResNum=41) 0 -9.114334 6.096686 5.629994 L C-C-0.597300(PDBName=C,ResName=HID,ResNum=41) 0 -4.140473 5.326443 5.454732 L O-O--0.567900(PDBName=O,ResName=HID,ResNum=41) 0 -4.369366 4.679233 4.430076 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=42) 0 -2.899515 5.500050 5.925764 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=42) 0 -2.802846 5.985830 6.814380 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=42) 0 -1.674596 5.249142 5.139208 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=42) 0 -1.802115 5.714392 4.161072 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=42) 0 -0.469277 5.925603 5.818863 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=42) 0 -0.579083 5.890641 6.903963 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=42) 0 0.441274 5.377423 5.567613 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=42) 0 -0.261293 7.378553 5.357526 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=42) 0 0.597518 7.780543 5.897012 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=42) 0 -0.014371 7.367333 4.295347 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=42) 0 -1.459235 8.319647 5.562888 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=42) 0 -2.293956 8.008055 4.933192 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=42) 0 -1.761041 8.309883 6.610621 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=42) 0 -1.032559 9.732886 5.167523 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=42) 0 -0.190965 10.031033 5.799217 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=42) 0 -0.679465 9.722129 4.133804 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=42) 0 -2.128493 10.714571 5.312943 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=42) 0 -2.496511 10.719841 6.259288 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=42) 0 -1.791419 11.657619 5.152872 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=42) 0 -2.883490 10.571227 4.650151 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=42) 0 -1.396447 3.778946 4.804614 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=42) 0 -0.594968 3.530936 3.907385 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=43) 0 -2.098033 2.837784 5.440211 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=43) 0 -2.749333 3.143984 6.145342 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=43) 0 -2.132544 1.416736 5.077191 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=43) 0 -1.698732 1.283124 4.084462 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=43) 0 -1.325380 0.581323 6.084622 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=43) 0 -1.881169 0.536683 7.018534 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=43) 0 -1.241485 -0.431539 5.698437 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=43) 0 0.056277 1.122479 6.383422 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=43) 0 0.948423 1.357908 5.323885 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=43) 0 0.684797 1.076254 4.314142 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=43) 0 2.123275 2.088891 5.553456 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=43) 0 2.758803 2.345392 4.723921 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=43) 0 2.436606 2.544013 6.850335 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=43) 0 3.518912 3.336692 7.041554 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=43) 0 3.847920 3.631475 6.169301 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=43) 0 1.596355 2.212521 7.931185 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=43) 0 1.840304 2.553482 8.928262 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=43) 0 0.398275 1.514849 7.693389 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=43) 0 -0.279706 1.339001 8.518044 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=43) 0 -3.583219 0.933393 5.038958 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=43) 0 -4.318222 1.125586 6.012579 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=44) 0 -3.996660 0.299580 3.939204 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=44) 0 -3.355602 0.186064 3.156256 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=44) 0 -5.388002 -0.106619 3.737599 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=44) 0 -5.844202 -0.232332 4.716868 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=44) 0 -6.136546 1.017640 2.981953 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=44) 0 -5.427202 1.793130 2.686852 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=44) 0 -6.586591 0.628884 2.066747 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=44) 0 -7.228069 1.652348 3.858013 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=44) 0 -6.821653 1.836870 4.850766 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=44) 0 -7.695796 2.989557 3.289147 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=44) 0 -6.833332 3.635751 3.127202 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=44) 0 -8.231784 2.838730 2.352939 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=44) 0 -8.346208 3.485067 4.002983 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=44) 0 -8.445146 0.729765 3.964055 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=44) 0 -8.150426 -0.251237 4.326074 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=44) 0 -9.170258 1.151211 4.656292 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=44) 0 -8.899354 0.607990 2.981727 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=44) 0 -5.505860 -1.456776 3.026727 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=44) 0 -4.923582 -1.651141 1.962542 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=45) 0 -6.302100 -2.369682 3.589591 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=45) 0 -6.722402 -2.147613 4.486429 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=45) 0 -6.738716 -3.595062 2.912659 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=45) 0 -6.145894 -3.719294 2.008660 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=45) 0 -6.503847 -4.817313 3.820486 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=45) 0 -5.646866 -4.638597 4.467362 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=45) 0 -7.378271 -4.937758 4.454956 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=45) 0 -6.273664 -6.125573 3.042237 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=45) 0 -6.987207 -6.195272 2.223650 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=45) 0 -4.862387 -6.185906 2.468564 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=45) 0 -4.120797 -6.164552 3.264717 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=45) 0 -4.743112 -7.104123 1.902322 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=45) 0 -4.707884 -5.347512 1.801295 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=45) 0 -6.439722 -7.338571 3.952542 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=45) 0 -6.370861 -8.250089 3.360332 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=45) 0 -5.661565 -7.344094 4.714691 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=45) 0 -7.421863 -7.314394 4.423636 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=45) 0 -8.206507 -3.456550 2.487388 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=45) 0 -9.053215 -3.057935 3.282964 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=46) 0 -8.543417 -3.813730 1.252800 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=46) 0 -7.810675 -4.185734 0.657314 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=46) 0 -9.818112 -3.478910 0.602994 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=46) 0 -10.474967 -2.995329 1.323640 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=46) 0 -9.596555 -2.477654 -0.549464 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=46) 0 -9.085966 -2.980393 -1.371014 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=46) 0 -10.941920 -1.938976 -1.052693 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=46) 0 -11.461195 -1.403850 -0.258964 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=46) 0 -10.779269 -1.270598 -1.896644 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=46) 0 -11.572962 -2.759552 -1.397268 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=46) 0 -8.730903 -1.277261 -0.132303 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=46) 0 -7.742197 -1.609416 0.182382 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=46) 0 -8.593168 -0.616326 -0.984244 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=46) 0 -9.198635 -0.729737 0.682983 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=46) 0 -10.515234 -4.740603 0.096406 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=46) 0 -10.010080 -5.414653 -0.795507 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=47) 0 -11.675297 -5.031504 0.674124 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=47) 0 -12.001371 -4.401864 1.398986 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=47) 0 -12.658496 -6.036154 0.268818 L H-HC 1 0.0000 H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=47) 0 -12.151020 -6.929237 -0.098432 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=47) 0 -13.544133 -5.470268 -0.853634 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=47) 0 -14.087138 -4.374113 -0.733887 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=48) 0 -13.731599 -6.223189 -1.934050 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=48) 0 -13.206220 -7.088912 -2.004443 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=48) 0 -14.657941 -5.923665 -3.028272 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=48) 0 -15.242723 -5.036226 -2.795413 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=48) 0 -13.881194 -5.673678 -4.328197 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=48) 0 -13.400678 -6.602017 -4.615222 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=48) 0 -14.599421 -5.433567 -5.113073 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=48) 0 -12.808715 -4.597823 -4.296935 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=48) 0 -13.077223 -3.324008 -4.823515 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=48) 0 -14.067338 -3.102381 -5.183678 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=48) 0 -12.066973 -2.347902 -4.892248 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=48) 0 -12.280929 -1.375082 -5.312157 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=48) 0 -10.776088 -2.643735 -4.422799 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=48) 0 -9.995717 -1.896621 -4.474263 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=48) 0 -10.508191 -3.909856 -3.873687 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=48) 0 -9.528322 -4.138701 -3.488733 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=48) 0 -11.518991 -4.883943 -3.811982 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=48) 0 -11.300969 -5.852293 -3.386919 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=48) 0 -15.603491 -7.119866 -3.169690 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=48) 0 -15.136748 -8.229298 -3.441647 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=49) 0 -16.899943 -6.927431 -2.912204 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=49) 0 -17.246102 -5.980560 -2.790293 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=49) 0 -17.778340 -8.027753 -2.491841 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=49) 0 -17.326565 -8.970706 -2.801960 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=49) 0 -17.848295 -8.056415 -0.956591 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=49) 0 -18.253901 -9.018985 -0.663085 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=49) 0 -16.835379 -8.010692 -0.560325 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=49) 0 -18.694165 -6.993390 -0.279136 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=49) 0 -19.929228 -7.354310 0.295362 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=49) 0 -20.283185 -8.373043 0.215799 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=49) 0 -20.700557 -6.393061 0.974428 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=49) 0 -21.647303 -6.662657 1.407876 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=49) 0 -20.251093 -5.059467 1.057258 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=49) 0 -20.981863 -4.138452 1.737853 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=49) 0 -20.678938 -3.236758 1.517084 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=49) 0 -19.031672 -4.689918 0.453227 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=49) 0 -18.700853 -3.664682 0.498249 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=49) 0 -18.242550 -5.662931 -0.189610 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=49) 0 -17.293498 -5.386456 -0.624575 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=49) 0 -19.178819 -8.004638 -3.112722 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=49) 0 -19.695740 -6.943025 -3.468776 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=50) 0 -19.796026 -9.186214 -3.206601 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=50) 0 -19.305810 -10.003531 -2.842138 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=50) 0 -21.161106 -9.384241 -3.692042 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=50) 0 -21.538096 -8.431490 -4.062651 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=50) 0 -21.136420 -10.354333 -4.878096 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=50) 0 -20.567130 -9.919911 -5.699849 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=50) 0 -20.667325 -11.293316 -4.584159 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=50) 0 -22.151488 -10.551139 -5.225562 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=50) 0 -22.070420 -9.876748 -2.545018 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=50) 0 -21.774126 -10.903362 -1.916701 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=51) 0 -23.203898 -9.199974 -2.265420 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=51) 0 -23.887204 -8.271018 -3.156695 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=51) 0 -23.839901 -8.596806 -4.197113 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=51) 0 -23.458064 -7.272481 -3.051863 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=51) 0 -25.335002 -8.269492 -2.677940 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=51) 0 -25.855547 -9.145989 -3.064703 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=51) 0 -25.864427 -7.363441 -2.963957 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=51) 0 -25.157164 -8.390981 -1.164137 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=51) 0 -26.061118 -8.769510 -0.685866 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=51) 0 -24.892660 -7.415703 -0.751487 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=51) 0 -23.966943 -9.351697 -1.015967 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=51) 0 -23.356713 -9.039288 -0.168258 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=51) 0 -24.447443 -10.786789 -0.761253 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=51) 0 -24.523485 -11.249578 0.378712 L N-N--0.415700(PDBName=N,ResName=TRP,ResNum=52) 0 -24.738300 -11.531274 -1.825736 L H-H-0.271900(PDBName=H,ResName=TRP,ResNum=52) 0 -24.705687 -11.091615 -2.737315 L C-CT--0.005000(PDBName=CB,ResName=TRP,ResNum=52) 0 -26.319746 -13.044444 -2.850233 L H-HC-0.033900(PDBName=HB2,ResName=TRP,ResNum=52) 0 -26.657729 -14.081201 -2.890218 L H-HC-0.033900(PDBName=HB3,ResName=TRP,ResNum=52) 0 -27.182478 -12.435285 -2.574424 L C-C*--0.141500(PDBName=CG,ResName=TRP,ResNum=52) 0 -25.867763 -12.631068 -4.214335 L C-CW--0.163800(PDBName=CD1,ResName=TRP,ResNum=52) 0 -26.249637 -11.520753 -4.888005 L H-H4-0.206200(PDBName=HD1,ResName=TRP,ResNum=52) 0 -26.987597 -10.799227 -4.553270 L N-NA--0.341800(PDBName=NE1,ResName=TRP,ResNum=52) 0 -25.574742 -11.455775 -6.091364 L H-H-0.341200(PDBName=HE1,ResName=TRP,ResNum=52) 0 -25.754035 -10.745019 -6.799160 L C-CN-0.138000(PDBName=CE2,ResName=TRP,ResNum=52) 0 -24.752269 -12.546267 -6.269508 L C-CA--0.260100(PDBName=CZ2,ResName=TRP,ResNum=52) 0 -23.926012 -12.969763 -7.316080 L H-HA-0.157200(PDBName=HZ2,ResName=TRP,ResNum=52) 0 -23.858395 -12.403376 -8.235321 L C-CA--0.113400(PDBName=CH2,ResName=TRP,ResNum=52) 0 -23.272090 -14.205030 -7.201398 L H-HA-0.141700(PDBName=HH2,ResName=TRP,ResNum=52) 0 -22.693568 -14.589287 -8.024546 L C-CA--0.197200(PDBName=CZ3,ResName=TRP,ResNum=52) 0 -23.375405 -14.957699 -6.025086 L H-HA-0.144700(PDBName=HZ3,ResName=TRP,ResNum=52) 0 -22.827673 -15.883184 -5.936291 L C-CA--0.238700(PDBName=CE3,ResName=TRP,ResNum=52) 0 -24.232614 -14.543467 -4.998407 L H-HA-0.170000(PDBName=HE3,ResName=TRP,ResNum=52) 0 -24.400833 -15.199120 -4.165745 L C-CB-0.124300(PDBName=CD2,ResName=TRP,ResNum=52) 0 -24.934207 -13.324356 -5.089611 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=57) 0 -20.237840 -13.835534 3.577106 L H-H 153 0.0000 H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=57) 0 -20.409206 -12.834475 3.976291 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=57) 0 -21.584064 -14.556027 3.455074 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=57) 0 -21.403590 -15.527952 2.996515 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=57) 0 -21.974073 -14.734596 4.457153 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=57) 0 -22.672573 -13.808962 2.663356 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=57) 0 -23.043867 -12.963119 3.243547 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=57) 0 -22.292661 -13.449639 1.708952 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=57) 0 -23.792953 -14.824107 2.428163 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=57) 0 -23.373314 -15.678214 1.896261 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=57) 0 -24.156726 -15.155323 3.401416 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=57) 0 -24.987354 -14.321364 1.626630 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=57) 0 -25.575657 -13.640581 2.250171 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=57) 0 -24.634273 -13.762688 0.758511 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=57) 0 -25.821247 -15.472114 1.197062 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=57) 0 -25.404672 -15.975260 0.414202 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=57) 0 -25.911224 -16.153627 1.947437 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=57) 0 -26.747476 -15.156581 0.915943 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=57) 0 -19.338278 -14.575017 4.590044 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=57) 0 -19.611849 -14.511407 5.796156 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=58) 0 -18.270641 -15.249680 4.136951 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=58) 0 -18.121422 -15.321614 3.135197 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=58) 0 -17.214405 -15.769034 5.005959 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=58) 0 -17.661398 -16.158641 5.918822 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=58) 0 -16.511372 -16.946646 4.317774 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=58) 0 -17.245932 -17.689457 4.005193 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=58) 0 -15.950664 -16.608291 3.448180 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=58) 0 -15.817136 -17.414103 5.017949 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=58) 0 -16.235079 -14.649316 5.402016 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=58) 0 -15.884680 -14.535643 6.576009 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=59) 0 -15.866068 -13.783292 4.447613 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=59) 0 -16.189130 -13.954613 3.501079 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=59) 0 -14.933546 -12.671593 4.665579 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=59) 0 -14.080998 -13.051325 5.232404 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=59) 0 -14.438015 -12.172151 3.295224 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=59) 0 -15.293024 -11.774832 2.750743 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=59) 0 -14.053881 -13.012552 2.721725 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=59) 0 -13.352402 -11.077795 3.369781 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=59) 0 -13.705950 -10.242564 3.972759 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=59) 0 -12.038183 -11.604456 3.946280 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=59) 0 -11.695998 -12.459855 3.370784 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=59) 0 -12.169539 -11.890791 4.990525 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=59) 0 -11.272783 -10.831801 3.897659 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=59) 0 -13.052981 -10.552720 1.970987 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=59) 0 -12.609913 -11.339191 1.363421 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=59) 0 -13.976069 -10.216112 1.504660 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=59) 0 -12.365951 -9.708804 2.037575 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=59) 0 -15.533957 -11.509611 5.474199 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=59) 0 -14.869130 -10.987469 6.361321 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=60) 0 -16.764257 -11.075003 5.184631 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=60) 0 -17.255812 -11.518005 4.417682 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=60) 0 -17.272733 -9.786353 5.675145 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=60) 0 -16.596438 -9.021318 5.289461 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=60) 0 -18.645355 -9.502825 5.046516 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=60) 0 -18.980523 -8.509126 5.347488 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=60) 0 -18.562101 -9.521318 3.959243 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=60) 0 -19.384915 -10.236627 5.358693 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=60) 0 -17.263633 -9.611432 7.218372 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=60) 0 -16.807978 -8.553601 7.671173 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=61) 0 -17.663753 -10.608889 8.043436 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=61) 0 -18.349034 -11.843176 7.688112 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=61) 0 -17.619791 -12.649416 7.593221 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=61) 0 -18.930035 -11.757615 6.773436 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=61) 0 -19.277326 -12.120921 8.864362 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=61) 0 -19.547901 -13.174847 8.929452 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=61) 0 -20.167098 -11.493544 8.788779 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=61) 0 -18.429204 -11.675691 10.053603 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=61) 0 -17.778419 -12.499438 10.354321 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=61) 0 -19.051371 -11.362718 10.893199 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=61) 0 -17.593330 -10.507447 9.509329 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=61) 0 -18.051599 -9.567952 9.821941 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=61) 0 -16.159075 -10.573864 10.058927 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=61) 0 -15.881580 -10.070028 11.149537 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=62) 0 -15.238696 -11.172007 9.299480 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=62) 0 -15.517070 -11.534118 8.396973 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=62) 0 -13.813439 -11.257702 9.629169 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=62) 0 -13.707882 -11.366896 10.704413 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=62) 0 -13.194974 -12.487890 8.952729 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=62) 0 -13.445735 -12.497617 7.892834 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=62) 0 -12.110498 -12.429725 9.040672 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=62) 0 -13.685079 -13.791521 9.599300 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=62) 0 -14.772096 -13.851643 9.512573 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=62) 0 -13.263206 -14.635427 9.050392 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=62) 0 -13.278567 -13.895894 11.074913 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=62) 0 -13.898497 -14.678524 11.830911 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=62) 0 -12.320974 -13.218120 11.503432 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=62) 0 -13.061209 -9.980806 9.257128 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=62) 0 -12.213113 -9.521795 10.017117 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=63) 0 -13.466525 -9.318885 8.173212 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=63) 0 -14.120565 -9.784063 7.552888 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=63) 0 -13.096149 -7.935336 7.884664 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=63) 0 -12.008013 -7.876750 7.832230 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=63) 0 -13.686386 -7.522345 6.526346 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=63) 0 -14.297224 -8.323391 6.108452 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=63) 0 -14.339348 -6.658224 6.656249 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=63) 0 -12.606122 -7.184221 5.529373 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=63) 0 -11.719966 -8.187915 5.097864 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=63) 0 -11.848111 -9.199426 5.455405 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=63) 0 -10.660820 -7.867884 4.228968 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=63) 0 -9.967353 -8.624498 3.893683 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=63) 0 -10.497589 -6.536329 3.801825 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=63) 0 -9.493786 -6.203143 2.965018 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=63) 0 -9.546577 -5.273308 2.733253 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=63) 0 -11.381280 -5.533225 4.236297 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=63) 0 -11.240212 -4.518980 3.909409 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=63) 0 -12.444902 -5.860167 5.090966 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=63) 0 -13.136612 -5.097205 5.411354 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=63) 0 -13.539142 -6.989492 9.008130 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=63) 0 -12.770953 -6.123312 9.426002 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=64) 0 -14.733163 -7.207274 9.569204 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=64) 0 -15.344670 -7.895822 9.148848 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=64) 0 -15.193567 -6.494276 10.755913 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=64) 0 -15.052366 -5.425763 10.585067 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=64) 0 -16.699302 -6.729562 10.913564 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=64) 0 -16.923626 -7.790532 10.975835 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=64) 0 -17.055463 -6.246492 11.820981 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=64) 0 -17.227600 -6.308489 10.057438 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=64) 0 -14.370339 -6.847160 12.015991 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=64) 0 -13.970134 -5.926774 12.734930 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=65) 0 -14.023998 -8.124203 12.264828 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=65) 0 -14.403536 -8.850493 11.665266 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=65) 0 -13.116700 -8.510833 13.371208 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=65) 0 -13.521857 -8.134517 14.312287 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=65) 0 -12.945406 -10.039944 13.483098 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=65) 0 -13.008670 -10.484409 12.493230 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=65) 0 -11.948458 -10.228884 13.879935 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=65) 0 -13.907874 -10.762241 14.435093 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=65) 0 -13.690940 -10.452735 15.458425 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=65) 0 -14.930386 -10.477571 14.196288 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=65) 0 -13.804656 -12.297405 14.335876 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=65) 0 -14.423722 -12.737912 15.117757 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=65) 0 -14.232934 -12.587652 13.376519 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=65) 0 -12.378951 -12.879284 14.436172 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=65) 0 -11.753706 -12.383844 13.688681 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=65) 0 -11.965415 -12.686831 15.429154 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=65) 0 -12.373860 -14.333577 14.140387 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=65) 0 -12.829728 -14.483182 13.235513 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=65) 0 -11.440988 -14.717905 14.041355 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=65) 0 -12.874076 -14.859105 14.849044 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=65) 0 -11.737996 -7.866225 13.209527 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=65) 0 -11.197360 -7.376427 14.195862 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=66) 0 -11.191635 -7.821537 11.993044 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=66) 0 -11.672615 -8.306942 11.242857 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=66) 0 -9.909417 -7.193116 11.679334 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=66) 0 -9.149007 -7.588164 12.353691 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=66) 0 -9.510551 -7.567241 10.247891 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=66) 0 -8.548423 -7.113965 10.007794 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=66) 0 -9.422870 -8.647783 10.156228 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=66) 0 -10.261100 -7.215702 9.540142 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=66) 0 -9.951364 -5.668979 11.865481 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=66) 0 -9.028688 -5.102752 12.448311 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=67) 0 -11.030076 -5.005302 11.436341 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=67) 0 -11.729659 -5.508201 10.898605 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=67) 0 -11.221696 -3.570827 11.641260 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=67) 0 -10.349658 -3.043600 11.265083 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=67) 0 -12.446569 -3.112745 10.848140 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=67) 0 -12.564621 -2.036492 10.959684 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=67) 0 -12.308713 -3.345656 9.795756 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=67) 0 -13.346385 -3.611667 11.209393 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=67) 0 -11.344399 -3.204961 13.123458 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=67) 0 -10.695531 -2.256338 13.570973 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=68) 0 -12.115483 -3.988954 13.883904 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=68) 0 -12.615273 -4.745435 13.429192 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=68) 0 -12.252167 -3.848401 15.332663 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=68) 0 -12.596804 -2.841873 15.570953 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=68) 0 -12.989885 -4.566075 15.692317 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=68) 0 -10.930836 -4.105486 16.057485 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=68) 0 -10.533208 -3.283894 16.881700 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=69) 0 -10.218421 -5.178491 15.678014 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=69) 0 -10.644942 -5.805511 15.003641 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=69) 0 -8.879616 -5.540325 16.167008 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=69) 0 -8.925926 -5.685900 17.248262 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=69) 0 -8.409007 -6.857932 15.523310 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=69) 0 -8.996518 -7.671739 15.941288 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=69) 0 -8.590670 -6.823798 14.450393 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=69) 0 -6.914081 -7.152734 15.735058 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=69) 0 -6.326813 -6.488621 15.099688 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=69) 0 -6.645427 -6.959148 16.774686 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=69) 0 -6.566590 -8.599896 15.360566 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=69) 0 -7.294044 -8.988185 14.645743 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=69) 0 -5.585588 -8.625837 14.884988 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=69) 0 -6.544131 -9.490884 16.603222 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=69) 0 -7.361011 -9.204814 17.271416 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=69) 0 -6.699442 -10.526631 16.289466 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=69) 0 -5.239765 -9.391594 17.296491 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=69) 0 -4.522909 -9.779682 16.689819 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=69) 0 -4.956358 -8.422815 17.463662 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=69) 0 -5.231806 -9.923964 18.160971 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=69) 0 -7.877056 -4.425023 15.939284 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=69) 0 -7.370116 -3.886159 16.909637 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=70) 0 -7.607966 -4.036849 14.692797 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=70) 0 -8.080854 -4.498121 13.923447 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=70) 0 -6.574572 -3.039684 14.403685 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=70) 0 -5.651302 -3.370226 14.876298 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=70) 0 -6.346798 -2.953027 12.882195 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=70) 0 -7.310602 -2.974431 12.371176 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=70) 0 -5.873111 -2.001680 12.642898 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=70) 0 -5.446388 -4.085433 12.346796 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=70) 0 -5.816571 -5.046976 12.701314 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=70) 0 -5.456561 -4.092114 10.818080 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=70) 0 -5.354027 -3.077605 10.437758 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=70) 0 -4.648022 -4.709282 10.429339 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=70) 0 -6.395767 -4.513696 10.477312 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=70) 0 -3.990604 -3.922924 12.787264 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=70) 0 -3.623678 -2.946426 12.482666 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=70) 0 -3.905793 -4.011984 13.868064 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=70) 0 -3.374355 -4.701239 12.341157 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=70) 0 -6.899982 -1.685306 15.050516 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=70) 0 -5.997950 -1.020260 15.558239 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=71) 0 -8.183798 -1.319020 15.153194 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=71) 0 -8.889736 -1.910514 14.730586 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=71) 0 -8.608121 -0.099019 15.850281 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=71) 0 -7.955986 0.711255 15.519795 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=71) 0 -10.033501 0.238051 15.398175 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=71) 0 -10.027882 0.284344 14.308305 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=71) 0 -10.711912 -0.560922 15.702382 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=71) 0 -10.566749 1.576076 15.926448 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=71) 0 -10.863337 1.457464 16.967135 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=71) 0 -9.791659 2.337164 15.859194 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=71) 0 -11.772206 2.005775 15.078213 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=71) 0 -11.421640 2.424814 14.133231 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=71) 0 -12.363112 1.118914 14.853334 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=71) 0 -12.706753 3.000877 15.768947 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=71) 0 -13.547421 3.201306 15.101440 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=71) 0 -13.115679 2.534610 16.670205 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=71) 0 -12.062958 4.283718 16.129712 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=71) 0 -11.622186 4.748477 15.341964 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=71) 0 -12.785564 4.897837 16.505245 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=71) 0 -11.398957 4.143674 16.886007 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=71) 0 -8.425290 -0.201230 17.370552 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=71) 0 -8.001521 0.785022 17.972785 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=72) 0 -8.637188 -1.370132 17.978541 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=72) 0 -9.002161 -2.138366 17.427240 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=72) 0 -8.367247 -1.634080 19.396402 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=72) 0 -8.744480 -0.797001 19.984487 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=72) 0 -9.152294 -2.883128 19.809918 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=72) 0 -8.789103 -3.755854 19.265108 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=72) 0 -9.031500 -3.055728 20.878454 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=72) 0 -10.212666 -2.744215 19.599204 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=72) 0 -6.859799 -1.767272 19.705224 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=72) 0 -6.388501 -1.250994 20.719772 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=73) 0 -6.070864 -2.336030 18.791122 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=73) 0 -6.529872 -2.806745 18.017031 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=73) 0 -4.597491 -2.350995 18.792648 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=73) 0 -4.254531 -2.709456 19.761000 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=73) 0 -4.076954 -3.335974 17.722501 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=73) 0 -4.512493 -3.071947 16.760154 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=73) 0 -2.995630 -3.221346 17.642575 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=73) 0 -4.369306 -4.818943 18.035681 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=73) 0 -3.925936 -5.060251 19.001425 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=73) 0 -5.443365 -4.973535 18.128130 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=73) 0 -3.812730 -5.795634 16.982321 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=73) 0 -3.266856 -5.352587 15.946506 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=73) 0 -3.894660 -7.031551 17.197971 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=73) 0 -3.981301 -0.944430 18.593458 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=73) 0 -2.756216 -0.789462 18.604248 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=74) 0 -4.811723 0.093453 18.425449 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=74) 0 -5.802409 -0.102220 18.416511 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=74) 0 -4.394695 1.487751 18.255851 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=74) 0 -5.256063 2.134098 18.421496 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=74) 0 -3.635392 1.727320 19.000697 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=74) 0 -3.821697 1.799797 16.870573 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=74) 0 -3.250997 2.873029 16.674168 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=75) 0 -3.963512 0.886807 15.911026 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=75) 0 -4.537216 0.073534 16.109243 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=75) 0 -3.288782 0.919878 14.616320 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=75) 0 -2.236608 1.145811 14.789675 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=75) 0 -3.370170 -0.453869 13.955795 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=75) 0 -3.087380 -1.232994 14.665189 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=75) 0 -4.389787 -0.631743 13.617963 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=75) 0 -2.504495 -0.485564 12.845452 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=75) 0 -1.676864 -0.929549 13.135764 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=75) 0 -3.852522 1.958711 13.651116 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=75) 0 -5.067996 2.141960 13.523961 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=76) 0 -2.950441 2.583656 12.902987 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=76) 0 -1.969991 2.389967 13.100219 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=76) 0 -3.228753 3.415646 11.734369 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=76) 0 -4.055940 4.080581 11.985936 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=76) 0 -1.997091 4.298556 11.445291 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=76) 0 -2.312502 5.087109 10.763756 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=76) 0 -1.686802 4.789368 12.369071 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=76) 0 -0.774891 3.603933 10.807476 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=76) 0 -1.075154 3.199199 9.839047 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=76) 0 -0.020022 4.368298 10.612112 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=76) 0 -0.131546 2.491661 11.654936 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=76) 0 -0.170487 2.570726 12.907412 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=76) 0 0.387154 1.524928 11.057171 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=76) 0 -3.665184 2.609007 10.493660 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=76) 0 -4.231138 3.190570 9.564942 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=77) 0 -3.438812 1.288526 10.477654 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=77) 0 -2.993763 0.871833 11.290791 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=77) 0 -3.865767 0.376538 9.405591 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=77) 0 -3.569778 0.803534 8.449402 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=77) 0 -3.223378 -1.023584 9.565435 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=77) 0 -3.671712 -1.483302 10.446493 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=77) 0 -3.555625 -1.898024 8.339905 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=77) 0 -4.630780 -2.058118 8.257624 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=77) 0 -3.197783 -1.425261 7.426102 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=77) 0 -3.084653 -2.871931 8.441682 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=77) 0 -1.694297 -1.014849 9.785930 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=77) 0 -1.180982 -0.830837 8.844999 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=77) 0 -1.418239 -0.219074 10.471416 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=77) 0 -1.190076 -2.327102 10.404267 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=77) 0 -1.246845 -3.143083 9.686214 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=77) 0 -0.159139 -2.201712 10.726031 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=77) 0 -1.776585 -2.584858 11.281673 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=77) 0 -5.390431 0.228460 9.437357 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=77) 0 -5.951929 -0.046860 10.501041 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=78) 0 -6.064865 0.353074 8.286556 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=78) 0 -5.529261 0.562373 7.446785 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=78) 0 -7.526899 0.184787 8.161448 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=78) 0 -7.921098 -0.164459 9.116990 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=78) 0 -8.199847 1.534955 7.832706 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=78) 0 -7.830558 1.890258 6.872160 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=78) 0 -9.275427 1.383919 7.733958 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=78) 0 -7.972788 2.647030 8.870300 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=78) 0 -6.916506 2.914954 8.879866 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=78) 0 -8.541331 3.521174 8.559122 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=78) 0 -8.389806 2.279092 10.298654 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=78) 0 -7.881157 1.368959 10.588030 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=78) 0 -8.049473 3.052034 10.983569 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=78) 0 -9.841576 2.069758 10.439611 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=78) 0 -10.140807 1.107866 10.561990 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=78) 0 -10.751492 3.005637 10.617417 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=78) 0 -10.429001 4.253722 10.760458 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=78) 0 -9.453329 4.511919 10.890779 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=78) 0 -11.138455 4.921004 11.006504 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=78) 0 -12.015424 2.705790 10.660069 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=78) 0 -12.314954 1.764802 10.427156 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=78) 0 -12.713808 3.447693 10.689514 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=78) 0 -7.928462 -0.906724 7.167915 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=78) 0 -7.124312 -1.403654 6.380513 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=79) 0 -9.209114 -1.262109 7.223316 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=79) 0 -9.793752 -0.781083 7.888807 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=79) 0 -9.881806 -2.234557 6.365042 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=79) 0 -9.195580 -2.605447 5.607571 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=79) 0 -10.409356 -3.417112 7.202395 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=79) 0 -11.125033 -3.028269 7.924953 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=79) 0 -10.971284 -4.066747 6.535921 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=79) 0 -9.409952 -4.309489 7.959408 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=79) 0 -9.989267 -5.113079 8.412359 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=79) 0 -8.371650 -4.939925 7.038353 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=79) 0 -8.872855 -5.538127 6.276881 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=79) 0 -7.771014 -4.163466 6.566794 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=79) 0 -7.712651 -5.580193 7.621497 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=79) 0 -8.671074 -3.590359 9.087377 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=79) 0 -7.730664 -3.168603 8.734574 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=79) 0 -9.285097 -2.790878 9.492182 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=79) 0 -8.463256 -4.306800 9.876770 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=79) 0 -11.060135 -1.528536 5.687957 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=79) 0 -11.780128 -0.806225 6.369769 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=80) 0 -11.290916 -1.738214 4.394482 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=80) 0 -10.642591 -2.334113 3.890902 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=80) 0 -12.377399 -1.122956 3.624049 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=80) 0 -13.042149 -0.590090 4.298004 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=80) 0 -11.766260 -0.111293 2.654587 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=80) 0 -11.268699 0.681158 3.210368 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=80) 0 -11.044313 -0.610386 2.011335 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=80) 0 -12.552820 0.318482 2.036909 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=80) 0 -13.226859 -2.156395 2.869258 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=80) 0 -12.707054 -3.201942 2.501440 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=81) 0 -14.500737 -1.851657 2.591907 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=81) 0 -14.833766 -0.942270 2.894634 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=81) 0 -15.435878 -2.683808 1.820993 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=81) 0 -14.854748 -3.480634 1.358002 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=81) 0 -16.446357 -3.387068 2.750713 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=81) 0 -16.992309 -4.126963 2.167627 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=81) 0 -15.888252 -3.931479 3.509870 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=81) 0 -17.455859 -2.459551 3.450532 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=81) 0 -16.920764 -1.735771 4.065725 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=81) 0 -18.025615 -1.917732 2.696610 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=81) 0 -16.091934 -1.902635 0.674444 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=81) 0 -16.582810 -0.783664 0.855866 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=82) 0 -16.109548 -2.510244 -0.507921 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=82) 0 -15.599895 -3.386137 -0.572985 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=82) 0 -16.588403 -1.942521 -1.774607 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=82) 0 -16.965639 -0.940032 -1.609805 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=82) 0 -15.442405 -1.804972 -2.788742 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=82) 0 -15.022560 -2.786633 -2.993662 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=82) 0 -15.962936 -1.205358 -4.102258 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=82) 0 -16.478446 -0.266294 -3.906159 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=82) 0 -15.133520 -1.038018 -4.785039 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=82) 0 -16.658557 -1.894553 -4.580754 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=82) 0 -14.330234 -0.906702 -2.231564 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=82) 0 -14.747597 0.042247 -1.898572 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=82) 0 -13.847501 -1.401365 -1.389282 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=82) 0 -13.573404 -0.730664 -2.995076 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=82) 0 -17.715725 -2.800716 -2.337336 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=82) 0 -17.493954 -3.948920 -2.723012 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=83) 0 -18.920089 -2.235899 -2.392280 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=83) 0 -19.034628 -1.291476 -2.043632 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=83) 0 -20.108528 -2.935195 -2.881114 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=83) 0 -20.130091 -3.930543 -2.430195 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=83) 0 -21.362933 -2.186367 -2.410842 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=83) 0 -21.253897 -1.915428 -1.364731 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=83) 0 -21.488110 -1.266277 -2.984164 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=83) 0 -22.602466 -3.058162 -2.559049 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=83) 0 -22.850367 -3.516760 -3.692181 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=83) 0 -23.313684 -3.281676 -1.551445 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=83) 0 -20.074559 -3.102362 -4.412526 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=83) 0 -20.161650 -2.126480 -5.169356 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=84) 0 -19.952204 -4.344269 -4.885943 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=84) 0 -19.893909 -5.121976 -4.233600 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=84) 0 -19.824593 -4.637615 -6.310162 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=84) 0 -19.159049 -3.888750 -6.741211 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=84) 0 -19.138856 -5.996706 -6.478472 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=84) 0 -18.884680 -6.138375 -7.528300 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=84) 0 -18.223331 -6.031000 -5.886228 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=84) 0 -19.808368 -6.796623 -6.158295 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=84) 0 -21.148242 -4.545224 -7.097489 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=84) 0 -21.115737 -4.671316 -8.325407 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=85) 0 -22.293727 -4.310710 -6.446204 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=85) 0 -22.280943 -4.234038 -5.429333 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=85) 0 -23.600745 -4.132255 -7.108182 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=85) 0 -23.492866 -4.297570 -8.179871 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=85) 0 -24.635448 -5.163317 -6.620029 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=85) 0 -25.546218 -5.045061 -7.206349 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=85) 0 -24.154886 -6.609063 -6.750048 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=85) 0 -23.276199 -6.781119 -6.129461 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=85) 0 -24.950721 -7.282343 -6.431320 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=85) 0 -23.918152 -6.821544 -7.791025 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=85) 0 -24.954863 -4.966899 -5.267231 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=85) 0 -25.653740 -4.276960 -5.256910 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=85) 0 -24.140005 -2.706574 -6.955119 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=85) 0 -24.781040 -2.198158 -7.875703 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=86) 0 -23.864176 -2.013193 -5.843834 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=86) 0 -23.418323 -2.521562 -5.078401 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=86) 0 -24.367917 -0.651149 -5.586117 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=86) 0 -25.202481 -0.454478 -6.258470 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=86) 0 -24.919062 -0.508019 -4.156272 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=86) 0 -24.090164 -0.516355 -3.447047 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=86) 0 -25.405015 0.465993 -4.084086 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=86) 0 -25.935697 -1.579048 -3.731172 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=86) 0 -25.385217 -2.450060 -3.382882 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=86) 0 -26.518128 -1.195768 -2.890866 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=86) 0 -26.879947 -2.007809 -4.857349 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=86) 0 -27.580479 -1.151645 -5.449104 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=86) 0 -26.893694 -3.205101 -5.221958 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=86) 0 -23.355783 0.462251 -5.880279 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=86) 0 -23.757667 1.514708 -6.379881 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=87) 0 -22.057116 0.258060 -5.631553 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=87) 0 -21.769627 -0.629170 -5.231181 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=87) 0 -21.013223 1.195363 -6.078866 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=87) 0 -21.439852 2.192806 -6.189618 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=87) 0 -19.856818 1.290604 -5.066300 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=87) 0 -19.475169 0.297110 -4.838682 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=87) 0 -19.041079 1.857674 -5.518311 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=87) 0 -20.259697 1.981319 -3.758589 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=87) 0 -21.040853 1.398508 -3.265757 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=87) 0 -19.393760 2.005388 -3.095825 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=87) 0 -20.743754 3.412670 -4.006094 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=87) 0 -21.902256 3.729545 -3.654279 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=87) 0 -19.977061 4.231561 -4.565279 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=87) 0 -20.496498 0.815570 -7.465807 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=87) 0 -20.460335 1.673582 -8.350390 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=88) 0 -20.158896 -0.467397 -7.661675 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=88) 0 -20.244216 -1.076998 -6.851434 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=88) 0 -19.679640 -1.094781 -8.907727 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=88) 0 -19.446418 -2.132254 -8.669567 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=88) 0 -20.816885 -1.132626 -9.936408 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=88) 0 -21.687996 -1.625954 -9.501287 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=88) 0 -21.093854 -0.115378 -10.216363 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=88) 0 -20.411859 -1.835857 -11.091733 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=88) 0 -21.070490 -1.629971 -11.792967 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=88) 0 -18.390326 -0.495321 -9.496792 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=88) 0 -17.359096 -1.164505 -9.552075 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=89) 0 -18.402403 0.783331 -9.872305 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=89) 0 -19.265462 1.289111 -9.710276 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=89) 0 -17.323994 1.472228 -10.588996 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=89) 0 -17.091412 0.904494 -11.489630 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=89) 0 -17.785341 2.877135 -10.985543 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=89) 0 -18.035905 3.439466 -10.085906 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=89) 0 -16.964248 3.388737 -11.486589 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=89) 0 -18.972274 2.863195 -11.933790 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=89) 0 -18.935439 2.116119 -12.932324 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=89) 0 -19.923856 3.648377 -11.710741 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=89) 0 -16.030068 1.610095 -9.786564 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=89) 0 -14.961412 1.777193 -10.374496 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=90) 0 -16.105574 1.529424 -8.455671 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=90) 0 -17.019402 1.421751 -8.042507 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=90) 0 -14.922671 1.455497 -7.601928 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=90) 0 -14.195005 2.173657 -7.972362 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=90) 0 -15.309210 1.860981 -6.168317 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=90) 0 -15.692774 2.881230 -6.183184 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=90) 0 -16.103038 1.204059 -5.812918 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=90) 0 -14.124991 1.789635 -5.187739 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=90) 0 -13.773391 0.762189 -5.118393 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=90) 0 -12.962483 2.668973 -5.629654 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=90) 0 -13.275237 3.710419 -5.709296 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=90) 0 -12.164785 2.568588 -4.902483 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=90) 0 -12.568676 2.339062 -6.588428 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=90) 0 -14.538215 2.238853 -3.789604 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=90) 0 -13.746152 1.992804 -3.085325 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=90) 0 -14.697997 3.311481 -3.775219 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=90) 0 -15.454632 1.737685 -3.486044 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=90) 0 -14.252865 0.074029 -7.677996 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=90) 0 -13.029353 -0.019950 -7.701242 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=91) 0 -15.040365 -0.997203 -7.778248 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=91) 0 -16.035883 -0.862498 -7.884264 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=91) 0 -14.519898 -2.351218 -7.927531 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=91) 0 -13.701435 -2.488932 -7.224540 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=91) 0 -15.647355 -3.331693 -7.573711 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=91) 0 -15.227687 -4.316050 -7.388646 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=91) 0 -16.156372 -3.012287 -6.664491 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=91) 0 -16.372349 -3.392819 -8.386560 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=91) 0 -13.922695 -2.555909 -9.329164 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=91) 0 -12.776116 -2.983476 -9.464930 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=92) 0 -14.635443 -2.108082 -10.367120 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=92) 0 -15.574141 -1.765410 -10.186282 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=92) 0 -14.165325 -2.146563 -11.757071 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=92) 0 -13.763877 -3.142977 -11.940699 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=92) 0 -15.357144 -1.933749 -12.711748 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=92) 0 -15.784357 -0.948076 -12.526647 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=92) 0 -14.993448 -1.955803 -13.740020 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=92) 0 -16.473612 -2.989280 -12.573329 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=92) 0 -16.934863 -2.917259 -11.588869 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=92) 0 -17.245946 -2.780363 -13.313467 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=92) 0 -15.965303 -4.414422 -12.772040 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=92) 0 -15.555957 -5.091338 -11.837565 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=92) 0 -15.906573 -4.921247 -13.982178 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=92) 0 -15.499158 -5.847905 -14.092056 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=92) 0 -16.261057 -4.407672 -14.768363 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=92) 0 -12.991514 -1.185423 -12.053341 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=92) 0 -12.452751 -1.204784 -13.162089 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=93) 0 -12.541518 -0.383520 -11.076971 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=93) 0 -13.029755 -0.387340 -10.192697 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=93) 0 -11.301399 0.403186 -11.161437 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=93) 0 -11.130393 0.641203 -12.207878 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=93) 0 -11.461448 1.731094 -10.390192 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=93) 0 -12.506260 1.858491 -10.123565 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=93) 0 -10.907970 1.692573 -9.450603 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=93) 0 -11.045265 2.978738 -11.194882 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=93) 0 -11.196286 2.817829 -12.261065 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=93) 0 -11.694504 3.804131 -10.909607 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=93) 0 -9.612638 3.428272 -10.933464 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=93) 0 -9.357606 4.226567 -10.040857 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=93) 0 -8.645683 2.984822 -11.701318 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=93) 0 -7.686061 3.209818 -11.464579 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=93) 0 -8.856938 2.342038 -12.460624 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=93) 0 -10.056854 -0.373417 -10.700486 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=93) 0 -8.953143 -0.004548 -11.093046 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=94) 0 -10.208751 -1.454061 -9.922379 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=94) 0 -11.146423 -1.724482 -9.647481 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=94) 0 -9.087114 -2.167814 -9.285871 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=94) 0 -8.161980 -1.836046 -9.755397 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=94) 0 -8.996016 -1.770824 -7.802144 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=94) 0 -9.900239 -2.107464 -7.293068 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=94) 0 -8.146796 -2.281323 -7.346667 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=94) 0 -8.807673 -0.279190 -7.584896 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=94) 0 -7.693993 0.377651 -8.146832 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=94) 0 -6.959521 -0.184852 -8.705623 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=94) 0 -7.556662 1.773177 -8.031755 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=94) 0 -6.723182 2.270120 -8.498851 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=94) 0 -8.520103 2.514527 -7.319219 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=94) 0 -8.427923 3.865305 -7.218885 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=94) 0 -7.760822 4.226659 -7.816024 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=94) 0 -9.606608 1.852100 -6.721326 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=94) 0 -10.322477 2.433992 -6.171422 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=94) 0 -9.762077 0.461445 -6.863369 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=94) 0 -10.625909 -0.028863 -6.438748 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=94) 0 -9.084044 -3.689981 -9.507806 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=94) 0 -8.401240 -4.414485 -8.789278 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=95) 0 -9.803576 -4.182813 -10.519642 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=95) 0 -10.401618 -3.550935 -11.027684 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=95) 0 -9.690845 -5.562688 -11.001403 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=95) 0 -10.177036 -5.648566 -11.973590 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=95) 0 -8.637606 -5.803070 -11.128736 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=95) 0 -10.295190 -6.596123 -10.051102 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=95) 0 -9.621070 -7.123481 -9.161933 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=96) 0 -11.576666 -6.897790 -10.256758 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=96) 0 -12.052309 -6.419013 -11.016727 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=96) 0 -12.328969 -7.899866 -9.494035 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=96) 0 -11.989130 -7.870891 -8.459812 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=96) 0 -13.837405 -7.586374 -9.487018 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=96) 0 -14.215517 -7.619411 -10.506056 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=96) 0 -14.628640 -8.575683 -8.622459 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=96) 0 -15.689133 -8.323745 -8.647317 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=96) 0 -14.519214 -9.588397 -9.004442 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=96) 0 -14.278054 -8.542870 -7.590667 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=96) 0 -14.117684 -6.190295 -8.934821 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=96) 0 -15.193490 -6.015516 -8.933213 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=96) 0 -13.719782 -6.099289 -7.923867 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=96) 0 -13.656555 -5.440676 -9.574591 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=96) 0 -12.036103 -9.290238 -10.057363 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=96) 0 -12.637970 -9.729332 -11.044985 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=97) 0 -11.124337 -10.012395 -9.406912 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=97) 0 -10.719444 -9.584675 -8.580349 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=97) 0 -10.782511 -11.416182 -9.676581 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=97) 0 -10.865038 -11.590387 -10.748457 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=97) 0 -9.315697 -11.676593 -9.315290 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=97) 0 -9.092263 -12.700051 -9.606799 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=97) 0 -8.688488 -11.025692 -9.924078 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=97) 0 -8.939214 -11.460331 -7.834726 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=97) 0 -8.680281 -10.411549 -7.683838 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=97) 0 -9.776768 -11.696844 -7.180148 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=97) 0 -7.754836 -12.346972 -7.426935 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=97) 0 -7.441189 -12.076303 -6.420320 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=97) 0 -8.075679 -13.386542 -7.390492 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=97) 0 -6.613042 -12.181550 -8.340375 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=97) 0 -6.137459 -11.285567 -8.292862 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=97) 0 -6.202561 -13.009886 -9.280960 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=97) 0 -6.778242 -14.156577 -9.517751 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=97) 0 -7.603881 -14.432336 -8.999924 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=97) 0 -6.464979 -14.751289 -10.273263 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=97) 0 -5.196974 -12.664903 -10.025663 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=97) 0 -4.829625 -11.721520 -9.962411 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=97) 0 -4.906345 -13.271090 -10.784102 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=97) 0 -11.771810 -12.393599 -9.031390 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=97) 0 -11.386626 -13.307819 -8.299956 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=98) 0 -13.059438 -12.175567 -9.281528 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=98) 0 -13.293490 -11.409863 -9.896747 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=98) 0 -14.140178 -12.834290 -8.555337 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=98) 0 -15.046732 -12.830851 -9.157433 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=98) 0 -13.867268 -13.869937 -8.362840 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=98) 0 -14.447421 -12.186324 -7.206199 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=98) 0 -13.829600 -11.197836 -6.804356 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=99) 0 -15.412004 -12.763892 -6.499552 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=99) 0 -15.830206 -13.607334 -6.878046 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=99) 0 -15.941056 -12.260371 -5.239643 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=99) 0 -15.465210 -11.304104 -5.046059 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=99) 0 -17.438333 -11.949451 -5.366812 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=99) 0 -18.007081 -12.862167 -5.211030 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=99) 0 -17.715965 -11.274719 -4.558530 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=99) 0 -17.879392 -11.324293 -6.681746 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=99) 0 -17.953854 -9.924684 -6.820333 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=99) 0 -17.639861 -9.284287 -6.007673 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=99) 0 -18.483560 -9.363196 -7.999934 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=99) 0 -18.559777 -8.295122 -8.103349 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=99) 0 -18.956645 -10.199889 -9.034023 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=99) 0 -19.502799 -9.683079 -10.163219 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=99) 0 -19.454009 -8.708584 -10.164147 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=99) 0 -18.827370 -11.593463 -8.916444 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=99) 0 -19.188445 -12.227910 -9.713753 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=99) 0 -18.273306 -12.151078 -7.752290 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=99) 0 -18.218361 -13.224482 -7.658824 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=99) 0 -15.634003 -13.255086 -4.096675 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=99) 0 -15.776671 -14.472649 -4.279772 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=100) 0 -15.133115 -12.789301 -2.941330 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=100) 0 -14.983239 -13.589417 -1.739856 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=100) 0 -14.508608 -14.546180 -1.955035 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=100) 0 -15.967415 -13.749111 -1.309027 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=100) 0 -14.125991 -12.764406 -0.782406 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=100) 0 -13.076475 -13.011190 -0.929755 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=100) 0 -14.419171 -12.921639 0.255229 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=100) 0 -14.368802 -11.325915 -1.232416 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=100) 0 -13.532445 -10.670625 -0.985566 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=100) 0 -15.286336 -10.953360 -0.784991 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=100) 0 -14.571173 -11.460185 -2.739271 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=100) 0 -15.277377 -10.693846 -3.056470 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=100) 0 -13.245212 -11.306681 -3.496970 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=100) 0 -12.452319 -12.249341 -3.595169 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=101) 0 -12.970581 -10.100898 -3.980383 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=101) 0 -13.681004 -9.382154 -3.862892 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=101) 0 -11.602690 -9.652669 -4.271443 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=101) 0 -10.958184 -10.511849 -4.450942 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=101) 0 -11.555869 -8.796760 -5.542304 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=101) 0 -12.395385 -8.109728 -5.561258 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=101) 0 -10.260319 -8.012792 -5.751616 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=101) 0 -9.410937 -8.694476 -5.775958 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=101) 0 -10.316650 -7.474027 -6.695500 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=101) 0 -10.121495 -7.282211 -4.956727 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=101) 0 -11.657822 -9.657882 -6.643084 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=101) 0 -12.485985 -10.173910 -6.560038 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=101) 0 -11.070079 -8.931323 -3.039415 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=101) 0 -11.817101 -8.238744 -2.350607 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=102) 0 -9.786016 -9.109808 -2.742490 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=102) 0 -9.225287 -9.683260 -3.363219 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=102) 0 -9.095693 -8.457113 -1.632924 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=102) 0 -9.710098 -7.630504 -1.297331 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=102) 0 -8.883934 -9.394801 -0.421250 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=102) 0 -8.072995 -10.078323 -0.659628 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=102) 0 -8.467113 -8.529937 0.780829 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=102) 0 -8.245551 -9.158296 1.644268 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=102) 0 -7.575735 -7.945904 0.558757 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=102) 0 -9.280453 -7.851189 1.034205 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=102) 0 -10.107258 -10.233167 0.021031 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=102) 0 -10.006178 -10.481353 1.078669 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=102) 0 -11.019224 -9.646848 -0.094633 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=102) 0 -10.249648 -11.569744 -0.718172 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=102) 0 -10.545949 -11.409818 -1.750699 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=102) 0 -9.305764 -12.114963 -0.690010 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=102) 0 -11.012193 -12.172438 -0.228333 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=102) 0 -7.761037 -7.904378 -2.141805 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=102) 0 -6.966324 -8.653430 -2.715454 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=103) 0 -7.500649 -6.612714 -1.915744 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=103) 0 -8.215343 -6.070175 -1.436696 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=103) 0 -6.252603 -5.928397 -2.305758 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=103) 0 -5.487092 -6.675848 -2.516086 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=103) 0 -6.473390 -5.096916 -3.581434 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=103) 0 -7.360967 -4.478362 -3.467230 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=103) 0 -5.615973 -4.435940 -3.726460 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=103) 0 -6.601365 -5.981250 -4.828205 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=103) 0 -5.674777 -6.539179 -4.934550 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=103) 0 -7.429316 -6.681523 -4.717377 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=103) 0 -6.817338 -5.149529 -6.095511 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=103) 0 -7.870218 -4.880808 -6.194944 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=103) 0 -6.231894 -4.232642 -6.025368 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=103) 0 -6.332495 -5.909517 -7.333908 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=103) 0 -6.305010 -5.213746 -8.177743 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=103) 0 -5.310969 -6.248660 -7.149395 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=103) 0 -7.180205 -7.069944 -7.694235 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=103) 0 -8.107710 -6.787799 -8.003625 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=103) 0 -6.750133 -7.573089 -8.461886 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=103) 0 -7.231007 -7.752272 -6.936654 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=103) 0 -5.690379 -5.053104 -1.187731 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=103) 0 -6.424925 -4.621883 -0.306622 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=104) 0 -4.397203 -4.767718 -1.238848 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=104) 0 -3.876129 -5.139365 -2.025687 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=104) 0 -3.679970 -3.848121 -0.358651 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=104) 0 -4.313983 -3.584045 0.485094 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=104) 0 -2.430447 -4.559443 0.168694 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=104) 0 -2.744740 -5.483298 0.646366 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=104) 0 -1.811840 -4.840552 -0.681085 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=104) 0 -1.586786 -3.766415 1.151542 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=104) 0 -2.138377 -3.324410 2.369823 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=104) 0 -3.170095 -3.538643 2.606689 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=104) 0 -1.354466 -2.591884 3.279112 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=104) 0 -1.790790 -2.243801 4.203160 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=104) 0 -0.008952 -2.313689 2.982492 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=104) 0 0.599598 -1.751221 3.675602 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=104) 0 0.547202 -2.765625 1.774412 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=104) 0 1.585764 -2.573345 1.547310 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=104) 0 -0.239205 -3.483428 0.857388 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=104) 0 0.203544 -3.822679 -0.070357 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=104) 0 -3.324887 -2.553631 -1.090039 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=104) 0 -3.127046 -2.569465 -2.300365 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=105) 0 -3.248401 -1.453216 -0.341854 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=105) 0 -3.479008 -1.538094 0.642879 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=105) 0 -2.878529 -0.115371 -0.799049 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=105) 0 -2.229312 -0.195271 -1.673795 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=105) 0 -4.142783 0.666046 -1.183442 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=105) 0 -4.831623 0.643059 -0.337617 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=105) 0 -3.860487 1.706252 -1.343811 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=105) 0 -4.881117 0.192577 -2.423530 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=105) 0 -4.654452 0.824054 -3.661436 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=105) 0 -3.917331 1.610635 -3.738493 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=105) 0 -5.391508 0.439347 -4.795715 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=105) 0 -5.222850 0.928552 -5.745122 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=105) 0 -6.341475 -0.592983 -4.700768 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=105) 0 -6.903952 -0.888186 -5.574619 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=105) 0 -6.554067 -1.243154 -3.472934 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=105) 0 -7.281378 -2.037885 -3.400639 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=105) 0 -5.831465 -0.843202 -2.334601 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=105) 0 -5.999111 -1.337184 -1.389496 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=105) 0 -2.123855 0.639992 0.312355 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=105) 0 -2.282005 0.351031 1.504999 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=106) 0 -1.323463 1.641874 -0.074163 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=106) 0 -1.300863 1.880795 -1.057882 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=106) 0 -0.500247 2.468167 0.829427 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=106) 0 -0.883847 2.386882 1.844499 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=106) 0 0.969570 2.010278 0.792794 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=106) 0 1.384453 2.290170 -0.178071 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=106) 0 1.503176 2.557799 1.569090 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=106) 0 1.250285 0.520186 1.011981 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=106) 0 0.982385 0.239684 2.030054 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=106) 0 0.659445 -0.073499 0.314677 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=106) 0 2.731663 0.209546 0.748053 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=106) 0 2.842893 -0.870460 0.745647 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=106) 0 3.001528 0.572677 -0.245877 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=106) 0 3.641847 0.803850 1.747121 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=106) 0 3.936002 1.764540 1.621258 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=106) 0 4.108506 0.230094 2.837552 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=106) 0 3.982630 -1.036159 3.082955 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=106) 0 3.890039 -1.666509 2.285727 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=106) 0 4.427040 -1.416169 3.910533 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=106) 0 4.726182 0.963730 3.706773 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=106) 0 4.983114 1.908527 3.424592 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=106) 0 5.015364 0.604190 4.611117 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=106) 0 -0.529325 3.943141 0.422646 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=106) 0 -0.804934 4.235144 -0.732789 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=107) 0 -0.112187 4.851481 1.307526 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=107) 0 0.018037 4.513765 2.254906 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=107) 0 0.411213 6.195037 0.981001 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=107) 0 0.500613 6.731494 1.926300 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=107) 0 1.831968 6.044203 0.403749 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=107) 0 1.755654 5.645272 -0.608080 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=107) 0 2.316163 7.019202 0.346121 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=107) 0 2.720832 5.139437 1.222144 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=107) 0 2.843552 5.265380 2.432962 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=107) 0 3.351635 4.178990 0.606447 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=107) 0 4.074947 3.721477 1.152491 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=107) 0 3.381778 4.129626 -0.405119 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=107) 0 -0.459372 7.102200 0.075391 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=107) 0 0.077750 7.949604 -0.647667 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=108) 0 -1.783086 6.917480 0.039377 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=108) 0 -2.175679 6.169816 0.601983 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=108) 0 -2.647175 7.611693 -0.932407 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=108) 0 -3.681441 7.549304 -0.622773 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=108) 0 -2.392499 8.670234 -0.937195 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=108) 0 -2.529914 7.096632 -2.379000 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=108) 0 -3.107933 7.689479 -3.286268 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=109) 0 -1.757313 6.035444 -2.609281 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=109) 0 -1.392583 5.533366 -1.807671 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=109) 0 -1.229164 5.611300 -3.903467 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=109) 0 -1.235362 6.470794 -4.574981 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=109) 0 0.234811 5.175493 -3.714529 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=109) 0 0.759277 5.932626 -3.132678 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=109) 0 0.282299 4.237539 -3.159485 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=109) 0 0.943013 5.016740 -5.055423 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=109) 0 1.163433 6.058023 -5.722834 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=109) 0 1.239485 3.872364 -5.464525 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=109) 0 -2.078873 4.509058 -4.547448 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=109) 0 -1.920810 3.316345 -4.278958 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=110) 0 -2.976562 4.901302 -5.450724 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=110) 0 -3.094345 5.892095 -5.627585 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=110) 0 -3.815109 3.945389 -6.194313 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=110) 0 -4.196667 3.218027 -5.479226 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=110) 0 -5.038256 4.619243 -6.822622 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=110) 0 -5.641347 3.850798 -7.302216 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=110) 0 -5.900816 5.337739 -5.785608 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=110) 0 -5.341821 6.141024 -5.304907 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=110) 0 -6.777813 5.762961 -6.267231 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=110) 0 -6.234492 4.624186 -5.035427 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=110) 0 -4.665953 5.569563 -7.791697 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=110) 0 -5.423828 5.624253 -8.402924 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=110) 0 -3.039973 3.133671 -7.241905 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=110) 0 -3.562452 2.133613 -7.733650 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=111) 0 -1.783635 3.500345 -7.528651 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=111) 0 -1.445284 4.365712 -7.131174 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=111) 0 -0.818977 2.716957 -8.308305 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=111) 0 -1.347658 2.266890 -9.148691 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=111) 0 0.231020 3.673288 -8.884909 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=111) 0 0.782016 4.159532 -8.080778 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=111) 0 0.940386 3.113017 -9.493299 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=111) 0 -0.251445 4.421061 -9.513970 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=111) 0 -0.169012 1.549784 -7.526869 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=111) 0 0.646813 0.813643 -8.084302 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=112) 0 -0.560400 1.320492 -6.266348 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=112) 0 -1.168934 2.002398 -5.830218 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=112) 0 -0.106819 0.193488 -5.432878 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=112) 0 0.713127 -0.314373 -5.939148 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=112) 0 0.469135 0.757409 -4.121838 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=112) 0 -0.283111 1.362549 -3.614053 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=112) 0 0.753162 -0.066319 -3.465295 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=112) 0 1.629866 1.532857 -4.363746 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=112) 0 1.366868 2.386031 -4.790207 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=112) 0 -1.170472 -0.905840 -5.161317 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=112) 0 -1.248402 -1.345073 -4.016868 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=113) 0 -2.001462 -1.372897 -6.127023 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=113) 0 -1.961585 -1.060338 -7.552621 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=113) 0 -0.987840 -1.289927 -7.984228 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=113) 0 -2.212765 -0.014373 -7.705278 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=113) 0 -3.051862 -1.894298 -8.220650 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=113) 0 -2.663053 -2.875836 -8.494821 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=113) 0 -3.469213 -1.389945 -9.090279 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=113) 0 -4.069270 -2.021335 -7.093274 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=113) 0 -4.782767 -2.825022 -7.271845 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=113) 0 -4.597719 -1.075308 -6.981843 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=113) 0 -3.150959 -2.263266 -5.884050 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=113) 0 -3.667216 -1.955285 -4.973399 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=113) 0 -2.761184 -3.752753 -5.725890 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=113) 0 -3.252089 -4.618499 -6.460519 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=114) 0 -1.860108 -4.077958 -4.793712 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=114) 0 -1.549856 -3.327428 -4.180622 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=114) 0 -1.330409 -5.440498 -4.584181 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=114) 0 -0.859839 -5.772630 -5.508349 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=114) 0 -0.263272 -5.384689 -3.477327 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=114) 0 0.543383 -4.723933 -3.797867 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=114) 0 -0.713865 -4.926048 -2.598876 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=114) 0 0.335020 -6.739086 -3.042274 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=114) 0 0.873269 -6.564612 -2.110557 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=114) 0 -0.455248 -7.444788 -2.797818 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=114) 0 1.329846 -7.355763 -4.047305 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=114) 0 1.708722 -6.573930 -4.707742 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=114) 0 2.184133 -7.742125 -3.489103 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=114) 0 0.780614 -8.497836 -4.906710 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=114) 0 -0.105234 -8.155797 -5.441531 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=114) 0 1.541666 -8.763400 -5.645527 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=114) 0 0.453917 -9.691704 -4.097468 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=114) 0 -0.369166 -9.543966 -3.520841 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=114) 0 0.246386 -10.503910 -4.676962 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=114) 0 1.209550 -9.957700 -3.469709 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=114) 0 -2.446696 -6.426284 -4.227349 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=114) 0 -3.182122 -6.209533 -3.270691 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=115) 0 -2.545145 -7.546889 -4.937494 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=115) 0 -1.979021 -7.642855 -5.772663 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=115) 0 -3.475610 -8.630428 -4.590967 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=115) 0 -4.483217 -8.221693 -4.555895 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=115) 0 -3.429583 -9.711109 -5.684115 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=115) 0 -3.225382 -9.250950 -6.652121 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=115) 0 -2.615001 -10.403461 -5.469541 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=115) 0 -4.744404 -10.490864 -5.791541 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=115) 0 -4.558303 -11.408274 -6.353345 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=115) 0 -5.092821 -10.773692 -4.795969 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=115) 0 -5.812800 -9.673341 -6.525343 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=115) 0 -5.736254 -9.556520 -7.769104 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=115) 0 -6.761132 -9.169494 -5.883533 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=115) 0 -3.166140 -9.229206 -3.203837 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=115) 0 -2.010690 -9.523457 -2.895599 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=116) 0 -4.182938 -9.430572 -2.365304 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=116) 0 -5.121404 -9.183988 -2.664426 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=116) 0 -4.052538 -10.130546 -1.083096 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=116) 0 -3.022065 -10.067064 -0.730114 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=116) 0 -4.943695 -9.456202 -0.033347 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=116) 0 -4.494754 -8.497406 0.218948 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=116) 0 -5.907743 -9.248966 -0.484253 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=116) 0 -5.203840 -10.256579 1.236017 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=116) 0 -4.446209 -10.015387 2.395560 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=116) 0 -3.669207 -9.266668 2.378266 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=116) 0 -4.710561 -10.733316 3.578857 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=116) 0 -4.139025 -10.538983 4.469476 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=116) 0 -5.740699 -11.695790 3.606247 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=116) 0 -6.010020 -12.390096 4.739137 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=116) 0 -5.343576 -12.242430 5.421529 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=116) 0 -6.494369 -11.945894 2.445827 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=116) 0 -7.269069 -12.696342 2.474464 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=116) 0 -6.219455 -11.236135 1.263712 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=116) 0 -6.784834 -11.461412 0.372071 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=116) 0 -4.410704 -11.608069 -1.233926 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=116) 0 -5.383951 -11.958368 -1.906977 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=117) 0 -3.682094 -12.484583 -0.541373 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=117) 0 -2.884159 -12.144158 -0.021571 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=117) 0 -4.134643 -13.848931 -0.234651 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=117) 0 -5.211723 -13.822316 -0.084319 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=117) 0 -3.843483 -14.822887 -1.390927 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=117) 0 -2.767264 -14.876363 -1.552537 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=117) 0 -4.389339 -16.229815 -1.146032 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=117) 0 -5.474588 -16.203398 -1.044219 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=117) 0 -4.111940 -16.884410 -1.969481 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=117) 0 -3.954325 -16.650887 -0.246133 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=117) 0 -4.474139 -14.373782 -2.578443 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=117) 0 -4.929729 -13.536924 -2.350925 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=117) 0 -3.491668 -14.345354 1.064400 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=117) 0 -2.313901 -14.097120 1.321994 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=118) 0 -4.264197 -15.061914 1.877242 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=118) 0 -5.234911 -15.172602 1.595847 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=118) 0 -3.831963 -15.835580 3.041035 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=118) 0 -2.872492 -16.310503 2.831869 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=118) 0 -3.653982 -14.876797 4.229556 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=118) 0 -4.607257 -14.417649 4.473157 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=118) 0 -3.289326 -15.426051 5.096597 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=118) 0 -2.936302 -14.094528 3.979925 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=118) 0 -4.873785 -16.952471 3.287248 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=118) 0 -5.199421 -17.706889 2.364064 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=119) 0 -5.435735 -17.030948 4.496464 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=119) 0 -5.039190 -16.441505 5.211421 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=119) 0 -6.828847 -17.437065 4.705059 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=119) 0 -7.111549 -18.211280 3.993369 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=119) 0 -6.937877 -17.850428 5.704427 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=119) 0 -7.774549 -16.238821 4.525022 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=119) 0 -7.598063 -15.456290 3.588376 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=120) 0 -8.771879 -16.071855 5.401775 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=120) 0 -8.861783 -16.761055 6.143687 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=120) 0 -9.679014 -14.900337 5.438248 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=120) 0 -9.155087 -14.034565 5.028930 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=120) 0 -10.929562 -15.175128 4.584235 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=120) 0 -11.372245 -16.123941 4.879672 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=120) 0 -11.671109 -14.399391 4.774121 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=120) 0 -10.630241 -15.175490 3.081746 L H-H1 57 0.0000 H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=120) 0 -10.139783 -14.237692 2.815454 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=120) 0 -9.977996 -16.009265 2.826149 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=120) 0 -10.108609 -14.455644 6.842623 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=120) 0 -10.868928 -13.498820 6.955562 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=121) 0 -9.655474 -15.123080 7.899392 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=121) 0 -8.981922 -15.867236 7.755894 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=121) 0 -9.945786 -14.737918 9.280834 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=121) 0 -11.009609 -14.521369 9.345510 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=121) 0 -9.629802 -15.914813 10.223959 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=121) 0 -9.731284 -16.857647 9.684260 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=121) 0 -8.606953 -15.830853 10.595209 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=121) 0 -10.621424 -15.924646 11.391213 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=121) 0 -10.574398 -14.963070 11.895371 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=121) 0 -11.625011 -16.062009 10.989841 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=121) 0 -10.371867 -17.008982 12.432494 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=121) 0 -9.832645 -18.090461 12.099051 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=121) 0 -10.743695 -16.783163 13.608165 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=121) 0 -9.193059 -13.456052 9.676490 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=121) 0 -8.204475 -13.086693 9.041402 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=122) 0 -9.614216 -12.771577 10.739140 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=122) 0 -10.481153 -13.054254 11.194041 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=122) 0 -8.997019 -11.516223 11.159631 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=122) 0 -9.141030 -10.798449 10.354973 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=122) 0 -9.737253 -11.003883 12.387606 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=122) 0 -9.656462 -11.722550 13.203604 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=122) 0 -9.317225 -10.048946 12.701781 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=122) 0 -10.778044 -10.872331 12.107430 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=122) 0 -7.482842 -11.608104 11.411572 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=122) 0 -6.764240 -10.679117 11.057667 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=123) 0 -6.965827 -12.718103 11.941654 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=123) 0 -7.609263 -13.413930 12.303362 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=123) 0 -5.517325 -12.939597 12.047890 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=123) 0 -5.063358 -11.981982 12.302508 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=123) 0 -5.168968 -13.871784 13.215226 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=123) 0 -4.103935 -13.765145 13.429199 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=123) 0 -5.712908 -13.552977 14.106245 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=123) 0 -5.463422 -15.342827 12.938791 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=123) 0 -6.634404 -15.762971 13.099417 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=123) 0 -4.515344 -16.110050 12.649844 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=123) 0 -4.860819 -13.372252 10.724096 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=123) 0 -3.686255 -13.084098 10.530235 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=124) 0 -5.594820 -13.948928 9.764863 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=124) 0 -6.588217 -14.064381 9.923610 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=124) 0 -5.084476 -14.160600 8.396887 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=124) 0 -4.110709 -14.647168 8.455418 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=124) 0 -6.026722 -15.045026 7.562252 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=124) 0 -6.947502 -14.501962 7.356562 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=124) 0 -5.547182 -15.225722 6.601578 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=124) 0 -6.372750 -16.399825 8.172306 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=124) 0 -5.528015 -16.990042 8.877196 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=124) 0 -7.470676 -16.918222 7.869189 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=124) 0 -4.919123 -12.823974 7.655001 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=124) 0 -4.006590 -12.646819 6.842722 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=125) 0 -5.814480 -11.875266 7.931419 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=125) 0 -6.590671 -12.150647 8.529582 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=125) 0 -5.781732 -10.489224 7.457082 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=125) 0 -5.574420 -10.463964 6.389640 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=125) 0 -7.179056 -9.861796 7.690181 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=125) 0 -7.495001 -10.091120 8.706132 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=125) 0 -7.147199 -8.332010 7.555265 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=125) 0 -6.568904 -7.892572 8.367485 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=125) 0 -6.699670 -8.054337 6.605689 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=125) 0 -8.155130 -7.925930 7.604962 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=125) 0 -8.215803 -10.477886 6.719762 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=125) 0 -8.067555 -10.069299 5.718998 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=125) 0 -8.070526 -11.556773 6.660646 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=125) 0 -9.671360 -10.251657 7.150780 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=125) 0 -9.916085 -9.191145 7.156120 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=125) 0 -10.332608 -10.761977 6.451665 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=125) 0 -9.835067 -10.666674 8.144900 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=125) 0 -4.640861 -9.732580 8.149165 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=125) 0 -3.785424 -9.139101 7.488568 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=126) 0 -4.587700 -9.787437 9.481419 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=126) 0 -5.325894 -10.289964 9.967300 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=126) 0 -3.649755 -8.996639 10.282683 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=126) 0 -3.598977 -8.004481 9.835106 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=126) 0 -4.181189 -8.792770 11.716252 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=126) 0 -4.466535 -9.751214 12.147654 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=126) 0 -3.150109 -8.133980 12.634397 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=126) 0 -2.781737 -7.220135 12.170832 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=126) 0 -3.602421 -7.892440 13.597530 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=126) 0 -2.324139 -8.821270 12.812551 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=126) 0 -5.397825 -7.853579 11.677115 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=126) 0 -5.801914 -7.721147 12.678648 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=126) 0 -5.102516 -6.885374 11.280643 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=126) 0 -6.182161 -8.259933 11.042169 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=126) 0 -2.221263 -9.538925 10.209297 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=126) 0 -1.325486 -8.733965 9.980647 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=127) 0 -1.965785 -10.852794 10.271254 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=127) 0 -2.728819 -11.506188 10.425313 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=127) 0 -0.605944 -11.401405 10.103079 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=127) 0 0.036366 -11.028002 10.902956 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=127) 0 -0.625697 -12.939679 10.143511 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=127) 0 -1.393937 -13.308662 9.469452 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=127) 0 0.332539 -13.313312 9.784765 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=127) 0 -0.845508 -13.555608 11.506875 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=127) 0 -0.842539 -12.898070 12.538480 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=127) 0 -0.961028 -14.857451 11.558290 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=127) 0 -1.223557 -15.293084 12.434304 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=127) 0 -0.995475 -15.390389 10.701072 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=127) 0 0.024440 -10.976580 8.769530 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=127) 0 1.213208 -10.670406 8.716424 L N-N--0.415700(PDBName=N,ResName=TRP,ResNum=128) 0 -0.771516 -10.929441 7.698841 L H-H-0.271900(PDBName=H,ResName=TRP,ResNum=128) 0 -1.737607 -11.206071 7.810995 L C-CT--0.027500(PDBName=CA,ResName=TRP,ResNum=128) 0 -0.319479 -10.511451 6.373392 L H-H1-0.112300(PDBName=HA,ResName=TRP,ResNum=128) 0 0.576439 -11.075707 6.111371 L C-CT--0.005000(PDBName=CB,ResName=TRP,ResNum=128) 0 -1.422310 -10.862555 5.374152 L H-HC-0.033900(PDBName=HB2,ResName=TRP,ResNum=128) 0 -1.751542 -11.885250 5.558093 L H-HC-0.033900(PDBName=HB3,ResName=TRP,ResNum=128) 0 -2.271003 -10.205499 5.555399 L C-C*--0.141500(PDBName=CG,ResName=TRP,ResNum=128) 0 -1.046083 -10.768349 3.932643 L C-CW--0.163800(PDBName=CD1,ResName=TRP,ResNum=128) 0 -0.633418 -11.799895 3.165387 L H-H4-0.206200(PDBName=HD1,ResName=TRP,ResNum=128) 0 -0.512052 -12.821228 3.506622 L N-NA--0.341800(PDBName=NE1,ResName=TRP,ResNum=128) 0 -0.383617 -11.356755 1.882746 L H-H-0.341200(PDBName=HE1,ResName=TRP,ResNum=128) 0 0.008045 -11.960944 1.163521 L C-CN-0.138000(PDBName=CE2,ResName=TRP,ResNum=128) 0 -0.649009 -10.012182 1.749553 L C-CA--0.260100(PDBName=CZ2,ResName=TRP,ResNum=128) 0 -0.575609 -9.120359 0.670758 L H-HA-0.157200(PDBName=HZ2,ResName=TRP,ResNum=128) 0 -0.258512 -9.466235 -0.303637 L C-CA--0.113400(PDBName=CH2,ResName=TRP,ResNum=128) 0 -0.909995 -7.772103 0.879550 L H-HA-0.141700(PDBName=HH2,ResName=TRP,ResNum=128) 0 -0.850435 -7.070632 0.058362 L C-CA--0.197200(PDBName=CZ3,ResName=TRP,ResNum=128) 0 -1.304805 -7.337589 2.159522 L H-HA-0.144700(PDBName=HZ3,ResName=TRP,ResNum=128) 0 -1.548994 -6.299801 2.326893 L C-CA--0.238700(PDBName=CE3,ResName=TRP,ResNum=128) 0 -1.373604 -8.239650 3.235114 L H-HA-0.170000(PDBName=HE3,ResName=TRP,ResNum=128) 0 -1.689016 -7.894283 4.207246 L C-CB-0.124300(PDBName=CD2,ResName=TRP,ResNum=128) 0 -1.053495 -9.601744 3.056216 L C-C-0.597300(PDBName=C,ResName=TRP,ResNum=128) 0 0.035997 -9.016045 6.336308 L O-O--0.567900(PDBName=O,ResName=TRP,ResNum=128) 0 1.055244 -8.635774 5.759357 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=129) 0 -0.752187 -8.166549 7.005712 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=129) 0 -1.581106 -8.546110 7.451699 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=129) 0 -0.477526 -6.731596 7.161214 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=129) 0 -0.239559 -6.313949 6.182587 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=129) 0 -1.747062 -6.046127 7.705762 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=129) 0 -2.100627 -6.605516 8.571873 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=129) 0 -1.496025 -5.041557 8.048236 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=129) 0 -2.881696 -5.947377 6.665131 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=129) 0 -2.964469 -6.883155 6.113982 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=129) 0 -4.225250 -5.682034 7.345397 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=129) 0 -4.202360 -4.743943 7.893246 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=129) 0 -5.016015 -5.642328 6.597542 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=129) 0 -4.449366 -6.494691 8.035274 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=129) 0 -2.604390 -4.816582 5.671477 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=129) 0 -2.506303 -3.868271 6.197306 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=129) 0 -1.692195 -5.018902 5.112096 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=129) 0 -3.425876 -4.738983 4.964438 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=129) 0 0.747615 -6.469320 8.058574 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=129) 0 1.581376 -5.618974 7.729162 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=130) 0 0.931476 -7.253828 9.128602 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=130) 0 0.195351 -7.927761 9.327670 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=130) 0 2.077836 -7.222145 10.066677 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=130) 0 2.270402 -6.183595 10.341362 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=130) 0 1.722929 -7.995529 11.360339 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=130) 0 1.580715 -9.042024 11.084684 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=130) 0 2.566359 -7.960100 12.051732 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=130) 0 0.457063 -7.536497 12.115486 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=130) 0 -0.245315 -7.076022 11.424118 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=130) 0 -0.010752 -8.432358 12.525312 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=130) 0 0.662099 -6.552248 13.273159 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=130) 0 1.353924 -6.974229 14.004344 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=130) 0 1.057363 -5.612747 12.885469 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=130) 0 -0.714310 -6.330601 13.922784 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=130) 0 -1.402181 -5.943040 13.168511 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=130) 0 -1.099518 -7.295854 14.265348 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=130) 0 -0.687369 -5.399551 15.067894 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=130) 0 -0.088842 -5.746676 15.810539 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=130) 0 -0.333238 -4.491110 14.803157 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=130) 0 -1.628814 -5.302843 15.461222 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=130) 0 3.394328 -7.744654 9.443480 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=130) 0 4.327511 -8.084943 10.167941 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=131) 0 3.470168 -7.823968 8.106177 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=131) 0 2.609359 -7.651379 7.608532 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=131) 0 4.660406 -8.170004 7.297982 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=131) 0 5.524304 -8.258892 7.960483 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=131) 0 4.440271 -9.533833 6.615595 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=131) 0 3.503915 -9.516189 6.059795 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=131) 0 5.252764 -9.741699 5.918006 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=131) 0 4.409634 -10.651950 7.658634 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=131) 0 5.404962 -10.734920 8.090285 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=131) 0 3.704798 -10.394423 8.445395 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=131) 0 4.024839 -12.015787 7.084663 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=131) 0 3.240397 -11.893310 6.336982 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=131) 0 4.900662 -12.457012 6.607188 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=131) 0 3.496582 -12.950052 8.181203 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=131) 0 2.521525 -12.581847 8.509453 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=131) 0 3.352096 -13.946681 7.753504 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=131) 0 4.404847 -13.032682 9.348383 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=131) 0 4.560962 -12.127558 9.785063 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=131) 0 4.033272 -13.664901 10.051271 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=131) 0 5.317929 -13.392615 9.084451 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=131) 0 5.043747 -7.094508 6.271146 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=131) 0 6.008430 -7.282735 5.528938 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=132) 0 4.306034 -5.979388 6.214848 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=132) 0 3.530682 -5.913033 6.857359 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=132) 0 4.559719 -4.869017 5.273130 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=132) 0 5.633297 -4.813732 5.081394 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=132) 0 3.865391 -5.177231 3.933791 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=132) 0 4.113986 -4.391860 3.220157 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=132) 0 4.271024 -6.110974 3.545657 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=132) 0 2.333247 -5.294655 4.024330 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=132) 0 2.049104 -6.031030 4.776714 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=132) 0 1.914999 -4.327865 4.304302 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=132) 0 1.735527 -5.708949 2.678411 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=132) 0 0.652377 -5.610140 2.738365 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=132) 0 2.091156 -5.018437 1.913061 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=132) 0 2.072505 -7.102343 2.329281 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=132) 0 1.832629 -7.834104 2.984958 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=132) 0 2.633865 -7.529841 1.215775 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=132) 0 2.981564 -6.744095 0.247963 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=132) 0 2.893104 -5.729707 0.313485 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=132) 0 3.469094 -7.123478 -0.546834 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=132) 0 2.868669 -8.796137 1.060525 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=132) 0 2.645734 -9.410680 1.836731 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=132) 0 3.297904 -9.151422 0.219504 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=132) 0 4.179025 -3.476907 5.779274 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=132) 0 4.695980 -2.484272 5.280051 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=133) 0 3.249842 -3.378136 6.726443 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=133) 0 2.867508 -4.223177 7.118495 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=133) 0 2.794671 -2.089231 7.275972 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=133) 0 2.719110 -1.374705 6.455185 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=133) 0 1.401691 -2.203127 7.897945 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=133) 0 1.124430 -1.237653 8.320653 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=133) 0 0.356569 -2.602327 6.855699 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=133) 0 0.540065 -3.606128 6.477530 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=133) 0 -0.636374 -2.564421 7.299595 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=133) 0 0.403438 -1.905931 6.022621 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=133) 0 1.386985 -3.173083 8.913618 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=133) 0 1.493650 -4.043976 8.502241 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=133) 0 3.803862 -1.500321 8.264750 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=133) 0 4.591821 -2.227339 8.870589 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=134) 0 3.803538 -0.174263 8.406500 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=134) 0 3.084036 0.352590 7.933647 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=134) 0 4.999907 0.581640 8.790375 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=134) 0 4.707115 1.475021 9.341781 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=134) 0 5.639820 -0.026198 9.430365 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=134) 0 5.792583 1.010773 7.543260 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=134) 0 5.292204 0.847817 6.423052 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=135) 0 7.001106 1.583158 7.690626 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=135) 0 7.755158 1.737703 8.926004 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=135) 0 7.731270 0.828444 9.527596 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=135) 0 7.356086 2.580850 9.491827 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=135) 0 9.192486 2.036685 8.495100 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=135) 0 9.734497 1.104609 8.332558 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=135) 0 9.713751 2.657451 9.223888 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=135) 0 9.008235 2.761313 7.162410 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=135) 0 9.883981 2.661061 6.519836 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=135) 0 8.799901 3.811288 7.354375 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=135) 0 7.762970 2.105586 6.559059 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=135) 0 7.172930 2.864719 6.048921 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=135) 0 8.117835 0.997727 5.563336 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=135) 0 8.587446 -0.069596 5.960226 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=136) 0 7.915204 1.255593 4.266803 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=136) 0 7.494668 2.144870 4.011681 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=136) 0 8.179954 0.263932 3.217393 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=136) 0 7.603866 -0.638861 3.431402 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=136) 0 7.734370 0.815984 1.862567 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=136) 0 8.248562 1.753614 1.656646 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=136) 0 7.977035 0.093085 1.081719 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=136) 0 6.661242 0.976385 1.848136 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=136) 0 9.658770 -0.143368 3.153140 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=136) 0 9.958064 -1.295605 2.847916 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=137) 0 10.575357 0.778608 3.469435 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=137) 0 10.255436 1.695158 3.734879 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=137) 0 11.965162 0.437526 3.731100 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=137) 0 12.230466 -0.416336 3.116729 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=137) 0 12.885495 1.582276 3.301398 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=137) 0 12.781169 2.428348 3.977366 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=137) 0 13.911961 1.225797 3.337703 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=137) 0 12.658818 1.891548 2.281649 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=137) 0 12.128605 0.036399 5.205534 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=137) 0 12.196419 0.895127 6.088992 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=138) 0 12.187190 -1.268164 5.466149 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=138) 0 12.086138 -1.919042 4.690738 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=138) 0 12.402952 -1.843503 6.799955 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=138) 0 11.592847 -1.530495 7.453685 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=138) 0 12.417759 -3.375501 6.714020 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=138) 0 13.294127 -3.683333 6.147614 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=138) 0 12.438423 -4.059287 8.079673 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=138) 0 11.565602 -3.759723 8.659065 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=138) 0 12.422572 -5.141074 7.944846 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=138) 0 13.346147 -3.793589 8.621753 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=138) 0 11.263394 -3.835419 6.049113 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=138) 0 11.485578 -4.712239 5.674515 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=138) 0 13.734744 -1.365123 7.373243 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=138) 0 14.759560 -1.450813 6.698303 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=139) 0 13.759579 -0.867033 8.608077 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=139) 0 12.899124 -0.807522 9.139506 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=139) 0 15.001335 -0.325319 9.186405 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=139) 0 15.522560 0.219282 8.400191 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=139) 0 14.720285 0.694924 10.293158 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=139) 0 14.308508 0.184697 11.163085 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=139) 0 15.987465 1.451375 10.688068 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=139) 0 16.420470 1.939777 9.814388 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=139) 0 15.743305 2.206512 11.431146 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=139) 0 16.716370 0.767723 11.121987 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=139) 0 13.786598 1.652870 9.833721 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=139) 0 12.983106 1.532637 10.377679 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=139) 0 15.928435 -1.448987 9.664012 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=139) 0 15.523548 -2.317541 10.437347 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=140) 0 17.180040 -1.429999 9.200111 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=140) 0 17.417928 -0.676665 8.562372 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=140) 0 18.189793 -2.476210 9.373453 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=140) 0 17.747658 -3.338283 9.870665 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=140) 0 18.687564 -2.920693 7.984135 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=140) 0 19.086889 -2.044795 7.475922 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=140) 0 19.510810 -3.624304 8.122057 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=140) 0 17.646634 -3.562403 7.053210 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=140) 0 16.791494 -2.905005 6.935221 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=140) 0 18.293798 -3.755655 5.682056 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=140) 0 19.235016 -4.289472 5.789226 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=140) 0 17.633554 -4.317332 5.024917 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=140) 0 18.489665 -2.780436 5.238123 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=140) 0 17.168320 -4.912345 7.580829 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=140) 0 16.625776 -4.772267 8.515622 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=140) 0 16.495015 -5.376905 6.862228 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=140) 0 18.022240 -5.562801 7.746814 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=140) 0 19.380848 -1.954783 10.200733 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=140) 0 20.130080 -1.099165 9.712723 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=141) 0 19.615572 -2.456130 11.424991 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=141) 0 18.708438 -3.277264 12.215577 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=141) 0 18.581372 -4.268208 11.777198 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=141) 0 17.745549 -2.773196 12.295242 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=141) 0 19.341215 -3.391384 13.604045 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=141) 0 19.940601 -4.299125 13.664267 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=141) 0 18.589622 -3.373910 14.394012 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=141) 0 20.270680 -2.185555 13.678313 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=141) 0 21.084420 -2.351394 14.384888 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=141) 0 19.698577 -1.298621 13.956083 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=141) 0 20.761499 -2.047368 12.235046 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=141) 0 21.003123 -1.002689 12.048287 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=141) 0 22.029715 -2.876706 11.965707 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=141) 0 23.114592 -2.460883 12.380365 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=142) 0 21.914188 -4.031001 11.297655 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=142) 0 20.994996 -4.310905 10.988495 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=142) 0 22.977648 -5.034710 11.170442 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=142) 0 23.942364 -4.528300 11.218690 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=142) 0 22.895510 -5.985054 12.371269 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=142) 0 23.836960 -6.531392 12.446223 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=142) 0 22.771374 -5.414946 13.293991 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=142) 0 21.752095 -6.984246 12.217167 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=142) 0 22.004362 -8.076897 11.663664 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=142) 0 20.614415 -6.701403 12.650570 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=142) 0 22.938308 -5.834913 9.846496 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=142) 0 21.937458 -5.854996 9.123215 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=143) 0 24.046384 -6.516578 9.535980 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=143) 0 24.832599 -6.484032 10.179436 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=143) 0 24.239375 -7.266347 8.292990 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=143) 0 23.961467 -6.635339 7.450068 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=143) 0 25.299884 -7.501289 8.207129 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=143) 0 23.466926 -8.586919 8.177383 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=143) 0 23.223066 -9.029902 7.051425 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=144) 0 23.053866 -9.210904 9.285303 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=144) 0 23.181664 -8.753775 10.181336 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=144) 0 22.267662 -10.447469 9.268368 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=144) 0 22.663546 -11.101789 8.496345 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=144) 0 22.419717 -11.202350 10.591650 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=144) 0 21.977059 -10.638290 11.411469 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=144) 0 21.913634 -12.165889 10.518876 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=144) 0 23.474426 -11.380242 10.793143 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=144) 0 20.796964 -10.151484 8.949106 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=144) 0 20.174469 -10.862280 8.155532 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=145) 0 20.249144 -9.064999 9.501962 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=145) 0 20.792956 -8.545716 10.189879 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=145) 0 18.936134 -8.558800 9.108017 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=145) 0 18.193388 -9.342379 9.268126 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=145) 0 18.582920 -7.368320 10.007803 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=145) 0 19.312172 -6.566372 9.883330 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=145) 0 17.589711 -6.997283 9.754056 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=145) 0 18.577961 -7.683454 11.051732 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=145) 0 18.913948 -8.193181 7.609890 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=145) 0 17.988061 -8.576448 6.893101 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=146) 0 19.969745 -7.532765 7.114941 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=146) 0 20.682393 -7.217814 7.762971 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=146) 0 20.098975 -7.152136 5.707650 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=146) 0 19.257899 -6.508541 5.449856 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=146) 0 21.394897 -6.348593 5.541102 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=146) 0 22.256605 -6.964508 5.791635 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=146) 0 21.496900 -6.022847 4.506732 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=146) 0 21.374413 -5.475519 6.193726 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=146) 0 20.042727 -8.353913 4.745502 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=146) 0 19.233107 -8.359787 3.818103 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=147) 0 20.832697 -9.407209 4.979752 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=147) 0 21.486312 -9.367475 5.753133 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=147) 0 20.842568 -10.574608 4.082017 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=147) 0 20.969102 -10.211406 3.061414 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=147) 0 22.030314 -11.496312 4.375524 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=147) 0 22.028973 -12.301474 3.639638 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=147) 0 22.954718 -10.930963 4.266110 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=147) 0 21.984400 -12.100961 5.779482 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=147) 0 22.286847 -11.336230 6.484544 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=147) 0 20.975689 -12.421408 6.032040 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=147) 0 22.902313 -13.305039 5.901342 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=147) 0 22.379920 -14.441525 5.938503 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=147) 0 24.137530 -13.119162 5.981486 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=147) 0 19.537415 -11.385969 4.101815 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=147) 0 19.221559 -12.048514 3.114099 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=148) 0 18.769359 -11.345770 5.197273 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=148) 0 19.099308 -10.816014 5.996648 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=148) 0 17.483262 -12.046982 5.296347 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=148) 0 17.538122 -12.948066 4.686505 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=148) 0 17.227950 -12.503281 6.729256 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=148) 0 18.138549 -12.940638 7.140224 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=148) 0 16.926802 -11.652108 7.342186 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=148) 0 16.211463 -13.487459 6.715575 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=148) 0 16.655345 -14.367107 6.692484 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=148) 0 16.320419 -11.206469 4.760599 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=148) 0 15.301510 -11.756314 4.330758 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=149) 0 16.470524 -9.879524 4.697866 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=149) 0 17.276290 -9.456938 5.149876 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=149) 0 15.618170 -9.022889 3.873899 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=149) 0 14.577006 -9.278430 4.073347 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=149) 0 15.823402 -7.556934 4.287292 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=149) 0 15.685387 -7.508920 5.368795 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=149) 0 16.843237 -7.236447 4.073232 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=149) 0 14.819735 -6.599352 3.614501 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=149) 0 13.878098 -7.119650 3.438007 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=149) 0 14.541624 -5.424416 4.543244 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=149) 0 15.442428 -4.839331 4.700778 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=149) 0 13.768505 -4.798910 4.103211 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=149) 0 14.173115 -5.790972 5.500877 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=149) 0 15.337277 -6.033710 2.288957 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=149) 0 15.467561 -6.825350 1.555940 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=149) 0 14.613363 -5.325793 1.886958 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=149) 0 16.285924 -5.520480 2.439744 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=149) 0 15.879140 -9.296321 2.386800 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=149) 0 14.931271 -9.577754 1.653032 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=150) 0 17.149509 -9.345643 1.968389 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=150) 0 17.878999 -9.078683 2.624837 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=150) 0 17.549035 -9.742690 0.603393 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=150) 0 17.070529 -9.065233 -0.096029 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=150) 0 19.075991 -9.606474 0.421774 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=150) 0 19.581127 -10.083512 1.259474 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=150) 0 19.598688 -10.245585 -0.870501 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=150) 0 19.012803 -9.898113 -1.720716 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=150) 0 20.647091 -9.986364 -1.020121 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=150) 0 19.525712 -11.331317 -0.808284 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=150) 0 19.461429 -8.123072 0.395963 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=150) 0 19.143507 -7.638327 1.314978 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=150) 0 20.543725 -8.018400 0.310780 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=150) 0 18.984107 -7.625207 -0.447261 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=150) 0 17.055010 -11.147030 0.238686 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=150) 0 16.682032 -11.390402 -0.906134 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=151) 0 16.972903 -12.065060 1.201763 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=151) 0 17.417219 -11.861418 2.089346 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=151) 0 16.439961 -13.412110 0.978630 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=151) 0 16.915619 -13.807219 0.081043 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=151) 0 16.813617 -14.295451 2.180273 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=151) 0 17.791406 -14.003119 2.541567 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=151) 0 16.107245 -14.123079 2.990329 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=151) 0 16.866244 -15.794494 1.867532 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=151) 0 17.136183 -16.329277 2.778121 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=151) 0 15.878950 -16.137299 1.555085 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=151) 0 17.901843 -16.110823 0.787039 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=151) 0 19.085782 -15.732516 0.944529 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=151) 0 17.521715 -16.703879 -0.251275 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=151) 0 14.918370 -13.452314 0.752814 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=151) 0 14.419464 -14.407342 0.154983 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=152) 0 14.163615 -12.449588 1.215894 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=152) 0 14.639989 -11.658197 1.632219 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=152) 0 12.692976 -12.523246 1.328090 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=152) 0 12.469868 -13.519739 1.702357 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=152) 0 12.180860 -11.571800 2.412988 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=152) 0 11.110622 -11.732478 2.553205 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=152) 0 12.681683 -11.811405 3.350563 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=152) 0 12.402616 -10.206847 2.110204 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=152) 0 13.331399 -10.062089 1.832868 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=152) 0 11.908097 -12.393241 0.006036 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=152) 0 10.680683 -12.522188 -0.009677 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=153) 0 12.607657 -12.194770 -1.110923 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=153) 0 13.612963 -12.119385 -1.022448 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=153) 0 12.083142 -12.151699 -2.482455 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=153) 0 11.301839 -12.897009 -2.613421 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=153) 0 11.495343 -10.756743 -2.712468 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=153) 0 10.568168 -10.660114 -2.145470 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=153) 0 12.215778 -10.041706 -2.321559 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=153) 0 11.258874 -10.407452 -4.062453 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=153) 0 11.822697 -9.616183 -4.204314 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=153) 0 13.225049 -12.448648 -3.460699 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=153) 0 14.392899 -12.241599 -3.126934 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=154) 0 12.932805 -12.893212 -4.684416 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=154) 0 11.961140 -13.056714 -4.929787 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=154) 0 13.959320 -13.116064 -5.726505 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=154) 0 14.743940 -13.744674 -5.311803 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=154) 0 13.349482 -13.858810 -6.917585 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=154) 0 12.534781 -13.265602 -7.332161 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=154) 0 14.107111 -13.986620 -7.692178 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=154) 0 12.843722 -15.242164 -6.504003 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=154) 0 13.698677 -15.865502 -6.238661 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=154) 0 12.192345 -15.170009 -5.631617 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=154) 0 12.054261 -15.872792 -7.640587 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=154) 0 12.612447 -16.720091 -8.375544 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=154) 0 10.853026 -15.544748 -7.791286 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=154) 0 14.635894 -11.819233 -6.207783 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=154) 0 15.643648 -11.868844 -6.912890 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=155) 0 14.082698 -10.678131 -5.788810 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=155) 0 13.235927 -10.786408 -5.249546 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=155) 0 14.542457 -9.298935 -5.981660 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=155) 0 15.601603 -9.285672 -6.231839 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=155) 0 13.732991 -8.643936 -7.115854 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=155) 0 12.672093 -8.731833 -6.880010 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=155) 0 14.051776 -7.153886 -7.258542 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=155) 0 15.110011 -7.013178 -7.479476 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=155) 0 13.430565 -6.745899 -8.048613 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=155) 0 13.798368 -6.613241 -6.348372 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=155) 0 13.976137 -9.327074 -8.469555 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=155) 0 13.713841 -10.382563 -8.412007 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=155) 0 13.333765 -8.881855 -9.227303 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=155) 0 15.021096 -9.235022 -8.760470 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=155) 0 14.310461 -8.521124 -4.680243 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=155) 0 13.221373 -8.619495 -4.114883 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=156) 0 15.277103 -7.720370 -4.230190 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=156) 0 16.137330 -7.670446 -4.769604 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=156) 0 15.199410 -6.861751 -3.039941 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=156) 0 14.168515 -6.562140 -2.860835 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=156) 0 15.674527 -7.676737 -1.834151 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=156) 0 16.706972 -7.987855 -1.993951 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=156) 0 15.609794 -7.072091 -0.929024 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=156) 0 15.045872 -8.560212 -1.711726 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=156) 0 16.041361 -5.580077 -3.214720 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=156) 0 16.874627 -5.504073 -4.116328 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=157) 0 15.872512 -4.567075 -2.358420 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=157) 0 15.159000 -4.650602 -1.635979 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=157) 0 16.679703 -3.326413 -2.403379 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=157) 0 17.615899 -3.533722 -2.917888 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=157) 0 15.952975 -2.200444 -3.178205 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=157) 0 15.095447 -1.867095 -2.594658 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=157) 0 16.878782 -1.004591 -3.426742 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=157) 0 17.735784 -1.313144 -4.025042 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=157) 0 16.336496 -0.222405 -3.958026 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=157) 0 17.231398 -0.598197 -2.481940 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=157) 0 15.455898 -2.622485 -4.567876 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=157) 0 14.724788 -3.418142 -4.469307 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=157) 0 14.969254 -1.782204 -5.063407 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=157) 0 16.287452 -2.975643 -5.175683 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=157) 0 17.034750 -2.855253 -0.990484 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=157) 0 16.188781 -2.890675 -0.102486 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=158) 0 18.260546 -2.369814 -0.766066 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=158) 0 18.924422 -2.357920 -1.535836 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=158) 0 18.653270 -1.704909 0.488838 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=158) 0 17.754003 -1.545717 1.071373 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=158) 0 19.579432 -2.585848 1.363026 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=158) 0 20.477753 -2.818424 0.793123 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=158) 0 19.995172 -1.828406 2.643946 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=158) 0 19.116018 -1.562869 3.230433 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=158) 0 20.668809 -2.430257 3.250512 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=158) 0 20.542321 -0.918901 2.397122 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=158) 0 18.867466 -3.910140 1.732101 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=158) 0 17.978662 -3.684445 2.322491 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=158) 0 18.546067 -4.416845 0.822485 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=158) 0 19.730947 -4.911348 2.506197 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=158) 0 19.147806 -5.811622 2.692849 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=158) 0 20.617114 -5.168759 1.924894 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=158) 0 20.029007 -4.501134 3.467475 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=158) 0 19.242710 -0.318524 0.204692 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=158) 0 20.105290 -0.166549 -0.659229 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=159) 0 18.780378 0.689554 0.944321 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=159) 0 18.044466 0.477436 1.610492 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=159) 0 19.336863 2.041148 0.977919 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=159) 0 19.852245 2.254210 0.043003 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=159) 0 18.536616 2.768758 1.094452 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=159) 0 20.311681 2.213151 2.139934 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=159) 0 20.024845 1.813293 3.266796 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=160) 0 21.455921 2.822773 1.862829 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=160) 0 21.580510 3.194024 0.927110 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=160) 0 22.589245 2.986384 2.764873 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=160) 0 22.377279 2.533749 3.733922 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=160) 0 23.810880 2.280660 2.154605 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=160) 0 24.025057 2.710899 1.174657 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=160) 0 24.678394 2.471854 2.782795 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=160) 0 23.648409 0.782043 1.998743 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=160) 0 23.014121 0.256075 0.858813 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=160) 0 22.633006 0.919488 0.096071 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=160) 0 22.858073 -1.131800 0.717279 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=160) 0 22.336364 -1.522078 -0.139233 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=160) 0 23.355116 -2.004651 1.697619 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=160) 0 23.233106 -3.072955 1.584553 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=160) 0 23.997174 -1.480988 2.831351 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=160) 0 24.381329 -2.146827 3.584436 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=160) 0 24.135880 -0.091258 2.987590 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=160) 0 24.621086 0.306151 3.865507 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=160) 0 22.817019 4.482547 2.967882 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=160) 0 23.459706 5.136842 2.146972 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=161) 0 22.246036 5.026646 4.042238 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=161) 0 21.776196 4.414699 4.702974 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=161) 0 22.242820 6.457906 4.331752 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=161) 0 23.025130 6.946490 3.754247 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=161) 0 20.908970 7.080156 3.909641 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=161) 0 20.094643 6.617748 4.470231 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=161) 0 20.940355 8.137340 4.173398 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=161) 0 20.633452 6.961653 2.426093 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=161) 0 21.364569 7.748533 1.517809 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=161) 0 22.094516 8.455556 1.883045 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=161) 0 21.181239 7.585087 0.135727 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=161) 0 21.778218 8.160022 -0.559186 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=161) 0 20.242378 6.653284 -0.335773 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=161) 0 20.110626 6.517812 -1.395511 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=161) 0 19.495823 5.878410 0.568639 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=161) 0 18.784582 5.155682 0.201029 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=161) 0 19.697128 6.025044 1.950838 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=161) 0 19.144840 5.410282 2.646317 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=161) 0 22.519857 6.702339 5.810787 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=161) 0 21.633857 6.568101 6.654710 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=162) 0 23.759982 7.082281 6.127901 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=162) 0 24.421872 7.213665 5.362110 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=162) 0 24.189297 7.421770 7.490813 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=162) 0 24.002304 6.572862 8.147166 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=162) 0 25.701542 7.673903 7.455296 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=162) 0 26.200111 6.770431 7.098255 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=162) 0 25.914165 8.484962 6.755741 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=162) 0 26.262564 8.041397 8.833419 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=162) 0 25.830073 8.993094 9.135865 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=162) 0 25.979172 7.284734 9.566852 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=162) 0 27.793924 8.147163 8.783301 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=162) 0 28.214435 7.161412 8.981650 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=162) 0 28.120006 8.451066 7.788807 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=162) 0 28.343964 9.150920 9.800597 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=162) 0 28.014525 8.871111 10.805924 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=162) 0 29.436132 9.102815 9.779590 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=162) 0 27.900725 10.529380 9.483952 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=162) 0 26.903498 10.641676 9.647788 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=162) 0 28.360487 11.214777 10.076620 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=162) 0 28.064530 10.769534 8.508378 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=162) 0 23.385469 8.598541 8.061670 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=162) 0 23.105159 8.623179 9.259151 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=163) 0 22.950397 9.524439 7.208817 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=163) 0 23.256967 9.461243 6.244211 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=163) 0 21.967113 10.557950 7.518098 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=163) 0 21.819793 10.595860 8.597637 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=163) 0 22.510480 11.923273 7.083816 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=163) 0 23.571966 11.981261 7.333158 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=163) 0 22.410601 12.060619 6.007073 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=163) 0 21.769128 13.019584 7.834225 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=163) 0 20.536085 13.152527 7.685388 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=163) 0 22.409651 13.647534 8.708149 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=163) 0 20.610019 10.232197 6.872992 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=163) 0 20.381066 10.485359 5.688474 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=164) 0 19.692689 9.657884 7.650390 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=164) 0 19.916573 9.502230 8.622885 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=164) 0 18.389085 9.190003 7.150282 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=164) 0 18.569357 8.795421 6.154689 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=164) 0 17.898912 7.985532 7.977485 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=164) 0 18.658740 7.206510 7.900219 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=164) 0 17.737753 8.324444 9.455552 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=164) 0 17.040948 9.154215 9.573982 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=164) 0 17.364229 7.453890 9.990941 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=164) 0 18.704599 8.584971 9.876653 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=164) 0 16.589380 7.386764 7.461709 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=164) 0 16.653981 7.244373 6.385606 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=164) 0 16.412434 6.424086 7.942892 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=164) 0 15.757527 8.050715 7.687063 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=164) 0 17.354847 10.318186 6.967043 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=164) 0 16.380947 10.147488 6.233860 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=165) 0 17.576419 11.507298 7.535173 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=165) 0 18.367822 11.592652 8.163857 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=165) 0 16.801131 12.726122 7.230939 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=165) 0 15.766696 12.443892 7.039587 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=165) 0 16.800790 13.687511 8.437047 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=165) 0 17.720933 13.586657 9.009409 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=165) 0 16.764264 14.715137 8.073397 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=165) 0 15.587547 13.503533 9.357182 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=165) 0 15.615080 14.282520 10.121953 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=165) 0 14.678821 13.651116 8.771824 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=165) 0 15.533756 12.133505 10.035258 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=165) 0 15.974147 12.016748 11.203607 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=165) 0 14.981855 11.181664 9.436292 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=165) 0 17.260782 13.451487 5.950012 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=165) 0 16.556056 14.351345 5.473366 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=166) 0 18.403907 13.075120 5.367677 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=166) 0 18.964565 12.372503 5.835006 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=166) 0 18.916951 13.661723 4.121047 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=166) 0 18.978343 14.739883 4.269345 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=166) 0 20.337242 13.167585 3.822953 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=166) 0 20.751238 13.759184 3.005274 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=166) 0 20.964484 13.313498 4.703034 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=166) 0 20.351316 11.802997 3.444165 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=166) 0 20.280644 11.270637 4.271496 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=166) 0 18.006459 13.416735 2.909272 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=166) 0 17.227415 12.459682 2.874469 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=167) 0 18.126336 14.286394 1.898511 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=167) 0 18.724927 15.093746 2.025450 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=167) 0 17.344183 14.268652 0.653842 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=167) 0 16.340103 14.647502 0.846561 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=167) 0 18.028947 15.167676 -0.392689 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=167) 0 19.078095 14.883038 -0.493762 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=167) 0 17.544412 15.001335 -1.356781 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=167) 0 17.952715 16.654190 -0.060695 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=167) 0 18.284514 17.039350 1.084770 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=167) 0 17.522646 17.432768 -0.937277 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=167) 0 17.218011 12.861704 0.065801 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=167) 0 16.111416 12.363748 -0.132672 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=168) 0 18.362623 12.214828 -0.154345 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=168) 0 19.218414 12.716554 0.033072 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=168) 0 18.497699 10.907741 -0.794724 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=168) 0 18.012121 10.932154 -1.769464 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=168) 0 19.984038 10.643610 -1.005736 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=168) 0 20.507234 10.669051 -0.047699 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=168) 0 20.122139 9.660351 -1.453283 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=168) 0 20.507879 11.641773 -1.862648 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=168) 0 21.446418 11.391102 -2.020375 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=168) 0 17.889410 9.762915 0.012572 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=168) 0 17.306207 8.848253 -0.565849 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=169) 0 17.956188 9.825848 1.342634 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=169) 0 18.390664 10.630874 1.775511 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=169) 0 17.359493 8.817798 2.211601 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=169) 0 17.660917 7.826243 1.873049 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=169) 0 17.901398 9.047505 3.616648 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=169) 0 17.580241 10.021426 3.984557 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=169) 0 17.530929 8.263622 4.275837 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=169) 0 18.987239 9.033198 3.601098 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=169) 0 15.825948 8.882602 2.191862 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=169) 0 15.148069 7.857025 2.091873 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=170) 0 15.269768 10.098583 2.217609 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=170) 0 15.889115 10.900856 2.316887 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=170) 0 13.822984 10.331823 2.123861 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=170) 0 13.310707 9.588535 2.730758 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=170) 0 13.511456 11.716684 2.706658 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=170) 0 14.162674 12.444817 2.223003 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=170) 0 12.484888 11.987465 2.474437 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=170) 0 13.704080 11.798039 4.236604 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=170) 0 14.682629 11.402420 4.508376 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=170) 0 13.679868 12.848459 4.522663 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=170) 0 12.604197 11.076591 5.037589 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=170) 0 11.642078 11.512987 4.763386 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=170) 0 12.576849 10.016408 4.793162 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=170) 0 12.800739 11.262913 6.550105 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=170) 0 13.115838 12.294468 6.731192 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=170) 0 11.844276 11.125603 7.062231 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=170) 0 13.797643 10.329108 7.123739 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=170) 0 14.635263 10.252177 6.554847 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=170) 0 14.123079 10.668516 8.030138 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=170) 0 13.424657 9.401083 7.305297 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=170) 0 13.287879 10.126195 0.698602 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=170) 0 12.176652 9.618772 0.554828 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=171) 0 14.092069 10.385954 -0.336013 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=171) 0 14.956597 10.881205 -0.145529 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=171) 0 13.832302 9.967526 -1.723921 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=171) 0 12.871282 10.362308 -2.054687 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=171) 0 14.945015 10.498455 -2.639957 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=171) 0 15.905700 10.320942 -2.164405 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=171) 0 14.944598 9.933115 -3.571601 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=171) 0 14.830073 11.992027 -2.965445 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=171) 0 14.524811 12.546546 -2.085913 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=171) 0 15.815376 12.352620 -3.257249 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=171) 0 13.852613 12.300130 -4.088707 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=171) 0 12.943614 11.545060 -4.409451 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=171) 0 14.034959 13.397810 -4.770539 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=171) 0 13.361791 13.640305 -5.486051 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=171) 0 14.775379 14.040009 -4.498698 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=171) 0 13.787810 8.441284 -1.864930 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=171) 0 12.908932 7.901302 -2.534915 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=172) 0 14.711213 7.733319 -1.210444 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=172) 0 15.467518 8.225147 -0.745316 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=172) 0 14.742178 6.274615 -1.206073 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=172) 0 14.661964 5.928152 -2.229890 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=172) 0 16.085695 5.800761 -0.647990 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=172) 0 16.879496 6.073374 -1.344844 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=172) 0 16.286825 6.304761 0.297108 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=172) 0 16.111610 4.309292 -0.422442 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=172) 0 16.205621 3.431889 -1.515575 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=172) 0 16.310237 3.820688 -2.515326 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=172) 0 16.129881 2.046628 -1.311187 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=172) 0 16.179983 1.377660 -2.153903 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=172) 0 15.954862 1.536600 -0.015217 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=172) 0 15.892032 0.468458 0.144491 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=172) 0 15.842773 2.415600 1.073290 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=172) 0 15.689355 2.024520 2.063557 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=172) 0 15.926027 3.800783 0.873232 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=172) 0 15.819430 4.476197 1.708144 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=172) 0 13.542556 5.663376 -0.472039 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=172) 0 12.914545 4.743888 -0.998545 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=173) 0 13.146848 6.229777 0.672297 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=173) 0 13.739015 6.941395 1.088946 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=173) 0 11.864386 5.913414 1.307444 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=173) 0 11.845839 4.848381 1.541454 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=173) 0 11.727949 6.719706 2.613039 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=173) 0 12.109539 7.725201 2.447448 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=173) 0 10.673187 6.812379 2.877776 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=173) 0 12.479515 6.061719 3.785827 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=173) 0 13.410547 5.625303 3.425321 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=173) 0 12.820327 7.085583 4.867591 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=173) 0 11.911154 7.568244 5.225723 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=173) 0 13.317097 6.585671 5.699944 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=173) 0 13.503783 7.827194 4.456185 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=173) 0 11.624352 4.961338 4.419067 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=173) 0 11.334815 4.231139 3.666259 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=173) 0 12.194063 4.461038 5.202850 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=173) 0 10.723632 5.392467 4.855969 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=173) 0 10.694443 6.163819 0.342004 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=173) 0 9.851320 5.288944 0.181422 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=174) 0 10.680643 7.281382 -0.389017 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=174) 0 11.385934 7.987372 -0.211247 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=174) 0 9.655168 7.560853 -1.401061 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=174) 0 8.689141 7.439397 -0.911557 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=174) 0 9.784460 9.022368 -1.878613 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=174) 0 10.793626 9.388319 -1.698626 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=174) 0 9.613583 9.080327 -2.950021 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=174) 0 8.783981 9.955285 -1.182110 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=174) 0 8.849396 9.824830 -0.102083 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=174) 0 9.038977 10.988436 -1.415969 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=174) 0 7.354039 9.687393 -1.638082 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=174) 0 6.623565 8.891196 -1.062529 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=174) 0 6.899548 10.266941 -2.724392 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=174) 0 5.934081 10.107120 -2.993231 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=174) 0 7.466829 10.927739 -3.250252 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=174) 0 9.638961 6.566625 -2.582217 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=174) 0 8.571296 6.354612 -3.161034 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=175) 0 10.756994 5.915788 -2.920297 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=175) 0 11.618797 6.174000 -2.454541 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=175) 0 10.789415 4.810974 -3.885915 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=175) 0 10.156418 5.063779 -4.736535 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=175) 0 12.220493 4.635840 -4.400197 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=175) 0 12.866165 4.279556 -3.597899 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=175) 0 12.227247 3.907556 -5.212130 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=175) 0 12.599251 5.586246 -4.769312 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=175) 0 10.242854 3.500347 -3.293563 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=175) 0 9.398365 2.851574 -3.912740 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=176) 0 10.662612 3.146729 -2.074431 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=176) 0 11.363659 3.722080 -1.618959 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=176) 0 10.155502 1.980446 -1.349039 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=176) 0 10.391450 1.077554 -1.910014 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=176) 0 10.857432 1.932213 0.013775 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=176) 0 10.578467 2.795001 0.617634 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=176) 0 10.560869 1.024669 0.536338 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=176) 0 11.938389 1.934814 -0.122470 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=176) 0 8.630001 2.040389 -1.178321 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=176) 0 7.910125 1.081709 -1.439315 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=177) 0 8.123469 3.216245 -0.813168 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=177) 0 8.784120 3.957503 -0.593797 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=177) 0 6.702892 3.501900 -0.613820 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=177) 0 6.275502 2.696286 -0.018110 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=177) 0 6.606354 4.819013 0.184074 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=177) 0 7.190776 5.577098 -0.338932 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=177) 0 5.587786 5.189313 0.198237 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=177) 0 7.122955 4.719410 1.637863 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=177) 0 8.134823 4.318399 1.646258 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=177) 0 7.168760 5.731974 2.044027 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=177) 0 6.288544 3.858157 2.592776 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=177) 0 5.317368 3.178543 2.191340 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=177) 0 6.576199 3.851517 3.811908 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=177) 0 5.880462 3.522101 -1.924952 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=177) 0 4.660903 3.705017 -1.878315 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=178) 0 6.514137 3.307997 -3.086127 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=178) 0 7.518953 3.182198 -3.052696 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=178) 0 5.870343 3.142974 -4.394001 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=178) 0 4.812917 3.399034 -4.309585 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=178) 0 6.510020 4.146978 -5.357408 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=178) 0 7.581637 3.966181 -5.437133 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=178) 0 6.061423 4.052915 -6.346627 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=178) 0 6.336832 5.153127 -4.981930 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=178) 0 5.929044 1.698120 -4.942262 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=178) 0 5.058370 1.311942 -5.733063 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=179) 0 6.886808 0.870496 -4.501726 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=179) 0 7.561098 1.231417 -3.835553 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=179) 0 7.002983 -0.555586 -4.864288 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=179) 0 6.089958 -0.863573 -5.369637 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=179) 0 8.154969 -0.811976 -5.873807 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=179) 0 9.100765 -0.557174 -5.397054 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=179) 0 8.194692 -2.291564 -6.309454 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=179) 0 7.357694 -2.508296 -6.969499 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=179) 0 9.120334 -2.499012 -6.839293 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=179) 0 8.156517 -2.966377 -5.459954 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=179) 0 7.999669 0.065329 -7.139935 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=179) 0 7.003255 -0.076683 -7.558502 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=179) 0 8.097277 1.111897 -6.854800 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=179) 0 9.026855 -0.215205 -8.247667 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=179) 0 8.890319 -1.212729 -8.662810 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=179) 0 8.888017 0.493065 -9.060034 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=179) 0 10.035169 -0.111902 -7.850133 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=179) 0 7.069966 -1.414946 -3.590241 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=179) 0 8.098182 -1.975009 -3.227834 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=180) 0 5.919992 -1.576645 -2.935518 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=180) 0 5.108824 -1.068010 -3.266450 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=180) 0 5.716703 -2.553278 -1.853373 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=180) 0 6.485292 -2.403756 -1.092145 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=180) 0 4.343631 -2.244837 -1.241370 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=180) 0 4.366857 -1.213741 -0.892170 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=180) 0 3.579529 -2.308692 -2.015379 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=180) 0 3.936794 -3.149510 -0.077921 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=180) 0 4.353026 -2.870019 1.069255 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=180) 0 3.113712 -4.066687 -0.296937 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=180) 0 5.829495 -4.013392 -2.349977 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=180) 0 5.943173 -4.947825 -1.557290 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=181) 0 5.823577 -4.217355 -3.670559 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=181) 0 5.699634 -3.400581 -4.257657 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=181) 0 6.005172 -5.491941 -4.373041 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=181) 0 5.563377 -6.261775 -3.757584 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=181) 0 5.175757 -5.524693 -5.673430 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=181) 0 5.445352 -6.412629 -6.246432 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=181) 0 4.127982 -5.642284 -5.393076 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=181) 0 5.262947 -4.285845 -6.572294 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=181) 0 4.971859 -3.158326 -6.100701 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=181) 0 5.488499 -4.450672 -7.793578 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=181) 0 7.475415 -5.944703 -4.491488 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=181) 0 7.772522 -6.967168 -5.115713 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=182) 0 8.389874 -5.243370 -3.818088 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=182) 0 8.071421 -4.418927 -3.317890 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=182) 0 9.777402 -5.641575 -3.549502 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=182) 0 9.903738 -6.697217 -3.777013 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=182) 0 10.736178 -4.828083 -4.456685 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=182) 0 10.532561 -3.769883 -4.303777 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=182) 0 12.204893 -5.088262 -4.094695 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=182) 0 12.419308 -6.150073 -4.190937 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=182) 0 12.860310 -4.529417 -4.754262 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=182) 0 12.412851 -4.750932 -3.080898 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=182) 0 10.509888 -5.154304 -5.952103 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=182) 0 10.716783 -6.211816 -6.114021 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=182) 0 9.466025 -4.977226 -6.205211 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=182) 0 11.352069 -4.323818 -6.934901 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=182) 0 12.389474 -4.653441 -6.925848 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=182) 0 10.960239 -4.453048 -7.944147 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=182) 0 11.308120 -3.267698 -6.668994 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=182) 0 10.053122 -5.410345 -2.045585 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=182) 0 9.567861 -4.417714 -1.501618 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=183) 0 10.843418 -6.250241 -1.345476 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=183) 0 11.249651 -7.597568 -1.674544 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=183) 0 12.235282 -7.568183 -2.133957 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=183) 0 10.535122 -8.098061 -2.320955 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=183) 0 11.334374 -8.311079 -0.326676 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=183) 0 11.993719 -9.175930 -0.358276 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=183) 0 10.336751 -8.596447 0.009406 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=183) 0 11.899052 -7.227631 0.583697 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=183) 0 12.988150 -7.242809 0.520611 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=183) 0 11.582638 -7.370612 1.616906 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=183) 0 11.328403 -5.931141 -0.008590 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=183) 0 10.487723 -5.605639 0.604685 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=183) 0 12.379701 -4.824367 -0.093472 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=183) 0 13.455333 -5.010316 -0.673719 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=184) 0 12.070619 -3.678853 0.504376 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=184) 0 11.171911 -3.615206 0.966898 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=184) 0 13.012430 -2.580563 0.689588 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=184) 0 13.860376 -2.720128 0.025968 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=184) 0 12.368736 -1.239446 0.319107 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=184) 0 11.358252 -1.208509 0.722154 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=184) 0 12.933869 -0.443808 0.805965 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=184) 0 12.304336 -0.922852 -1.163840 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=184) 0 11.327964 -1.518070 -1.978671 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=184) 0 10.636357 -2.234381 -1.563527 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=184) 0 11.206340 -1.136440 -3.324316 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=184) 0 10.437692 -1.581059 -3.933927 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=184) 0 12.037126 -0.140831 -3.858824 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=184) 0 11.886704 0.188891 -4.873756 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=184) 0 13.026170 0.448890 -3.056303 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=184) 0 13.658190 1.227869 -3.456873 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=184) 0 13.156608 0.052419 -1.714264 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=184) 0 13.876885 0.540358 -1.085660 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=184) 0 13.524312 -2.573151 2.132706 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=184) 0 12.750319 -2.747694 3.072603 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=185) 0 14.815364 -2.308004 2.317909 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=185) 0 15.403000 -2.246908 1.492039 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=185) 0 15.435650 -2.034798 3.615037 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=185) 0 14.674784 -2.025830 4.390212 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=185) 0 16.150175 -2.820676 3.848914 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=185) 0 16.174239 -0.697440 3.625410 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=185) 0 16.600635 -0.223415 2.576968 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=186) 0 16.361806 -0.083167 4.790689 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=186) 0 15.971065 -0.509013 5.627949 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=186) 0 17.186870 1.123517 4.961058 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=186) 0 17.806068 1.232721 4.073225 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=186) 0 16.313494 2.394917 5.065557 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=186) 0 15.618465 2.376872 4.230895 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=186) 0 15.469158 2.433433 6.350478 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=186) 0 16.103731 2.570832 7.226660 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=186) 0 14.755042 3.254278 6.303335 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=186) 0 14.905333 1.507289 6.458480 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=186) 0 17.176687 3.663820 4.895660 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=186) 0 17.827453 3.791478 5.761689 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=186) 0 17.803370 3.546628 4.010438 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=186) 0 16.347729 4.940160 4.713536 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=186) 0 15.810322 5.174586 5.631198 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=186) 0 17.011308 5.769182 4.467439 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=186) 0 15.629283 4.808804 3.907154 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=186) 0 18.137301 0.958924 6.145336 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=186) 0 17.760621 0.386859 7.164877 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=187) 0 19.368977 1.449967 6.028867 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=187) 0 19.654569 1.853650 5.140627 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=187) 0 20.356645 1.405043 7.111308 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=187) 0 19.820662 1.283590 8.050466 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=187) 0 21.282806 0.189423 6.962560 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=187) 0 20.665816 -0.699005 6.843700 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=187) 0 22.234536 0.255665 5.768104 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=187) 0 23.026795 0.981088 5.951074 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=187) 0 22.671707 -0.724261 5.599692 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=187) 0 21.686988 0.532293 4.869076 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=187) 0 22.043233 0.042996 8.139262 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=187) 0 21.461168 -0.412289 8.774389 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=187) 0 21.159888 2.695313 7.219411 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=187) 0 21.587526 3.258475 6.210040 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=188) 0 21.406604 3.126630 8.457207 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=188) 0 20.961515 2.637907 9.228605 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=188) 0 22.335813 4.209956 8.796277 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=188) 0 22.710008 4.636544 7.867930 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=188) 0 21.605665 5.344350 9.530325 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=188) 0 22.297012 6.172304 9.685095 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=188) 0 20.781201 5.699685 8.910596 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=188) 0 21.089417 4.937541 10.786679 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=188) 0 20.765427 5.764113 11.227154 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=188) 0 23.585103 3.721821 9.543986 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=188) 0 24.345413 4.538272 10.064319 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=189) 0 23.820430 2.402791 9.612359 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=189) 0 23.182240 1.771741 9.142533 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=189) 0 24.990929 1.820344 10.274114 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=189) 0 25.462637 2.586172 10.893268 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=189) 0 24.556051 0.691138 11.225401 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=189) 0 23.860277 1.088055 11.960347 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=189) 0 24.054824 -0.094369 10.662653 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=189) 0 25.742834 0.102167 11.971459 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=189) 0 26.816356 0.681291 12.023611 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=189) 0 25.626075 -1.070398 12.539716 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=189) 0 26.486082 -1.460481 12.931065 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=189) 0 24.780159 -1.619276 12.439442 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=189) 0 26.043501 1.348681 9.257111 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=189) 0 25.771125 0.498449 8.405525 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=190) 0 27.277907 1.841931 9.382331 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=190) 0 27.489205 2.449052 10.162026 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=190) 0 28.362154 1.514407 8.455121 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=190) 0 27.947691 1.614181 7.456162 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=190) 0 29.491929 2.536931 8.539662 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=190) 0 30.228741 2.305452 7.770454 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=190) 0 29.096672 3.536006 8.349254 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=190) 0 30.114749 2.512047 9.806029 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=190) 0 31.066575 2.672794 9.637458 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=190) 0 28.888946 0.074562 8.558447 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=190) 0 29.547917 -0.382306 7.624502 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=191) 0 28.528476 -0.705223 9.586462 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=191) 0 28.055420 -0.279807 10.375862 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=191) 0 28.707386 -2.171105 9.558308 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=191) 0 29.768891 -2.413649 9.500029 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=191) 0 28.109900 -2.817816 10.816751 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=191) 0 27.076911 -2.491834 10.923647 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=191) 0 28.081203 -3.898033 10.681195 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=191) 0 28.890461 -2.537283 12.096606 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=191) 0 30.073045 -2.945052 12.193616 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=191) 0 28.293466 -1.961473 13.033809 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=191) 0 27.997964 -2.797601 8.343864 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=191) 0 28.538029 -3.670051 7.657895 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=192) 0 26.782508 -2.326424 8.052022 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=192) 0 26.419924 -1.561061 8.609437 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=192) 0 25.926113 -2.866163 6.988562 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=192) 0 26.013759 -3.953010 7.000927 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=192) 0 24.446415 -2.506723 7.232378 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=192) 0 24.286626 -1.466883 6.956245 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=192) 0 23.522446 -3.407288 6.403561 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=192) 0 23.629944 -4.443204 6.722528 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=192) 0 22.485990 -3.098431 6.543613 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=192) 0 23.764691 -3.336482 5.346418 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=192) 0 24.043194 -2.684916 8.701843 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=192) 0 24.506043 -1.913279 9.313299 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=192) 0 22.961912 -2.596562 8.811202 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=192) 0 24.369822 -3.660575 9.051359 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=192) 0 26.408740 -2.383317 5.620354 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=192) 0 26.451021 -3.169468 4.678677 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=193) 0 26.880726 -1.133042 5.528496 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=193) 0 26.815724 -0.549008 6.350537 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=193) 0 27.630776 -0.630116 4.367707 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=193) 0 26.996894 -0.624987 3.480180 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=193) 0 28.146349 0.792372 4.643542 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=193) 0 28.640047 0.809750 5.608588 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=193) 0 28.936816 0.977871 3.927171 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=193) 0 27.201404 1.980636 4.575606 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=193) 0 27.546229 3.070763 3.750991 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=193) 0 28.409109 3.013782 3.100294 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=193) 0 26.801270 4.259613 3.798215 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=193) 0 27.082796 5.102114 3.183713 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=193) 0 25.691084 4.359616 4.649503 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=193) 0 25.120817 5.275883 4.670072 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=193) 0 25.317451 3.267320 5.451021 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=193) 0 24.452145 3.341932 6.096485 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=193) 0 26.076236 2.082900 5.418953 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=193) 0 25.792511 1.262344 6.056467 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=193) 0 28.858565 -1.515666 4.074072 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=193) 0 29.077177 -1.933960 2.935248 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=194) 0 29.645593 -1.829697 5.111336 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=194) 0 29.406092 -1.443296 6.016549 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=194) 0 30.902814 -2.583108 4.994211 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=194) 0 31.556869 -2.071751 4.286106 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=194) 0 31.630408 -2.669950 6.339379 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=194) 0 31.035602 -3.271609 7.027666 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=194) 0 32.589684 -3.168508 6.188160 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=194) 0 31.864817 -1.396285 6.919850 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=194) 0 30.994073 -1.021029 7.178303 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=194) 0 30.682454 -4.007894 4.484626 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=194) 0 31.495155 -4.506216 3.706774 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=195) 0 29.564874 -4.659008 4.844754 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=195) 0 28.946401 -4.212777 5.514758 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=195) 0 29.201712 -5.990829 4.320565 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=195) 0 30.004096 -6.686500 4.572068 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=195) 0 27.910951 -6.474290 5.007991 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=195) 0 28.061775 -6.446589 6.088863 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=195) 0 27.083752 -5.809186 4.754883 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=195) 0 27.551221 -7.910502 4.591058 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=195) 0 27.222595 -7.914597 3.551454 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=195) 0 28.437750 -8.540488 4.681482 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=195) 0 26.439984 -8.506895 5.457969 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=195) 0 26.779027 -8.542129 6.495271 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=195) 0 25.543890 -7.887353 5.387961 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=195) 0 26.124992 -9.925040 4.970400 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=195) 0 25.663398 -9.868875 3.979896 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=195) 0 27.057428 -10.488707 4.879304 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=195) 0 25.223534 -10.616352 5.912825 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=195) 0 24.359322 -10.103633 6.051865 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=195) 0 24.989937 -11.563355 5.616586 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=195) 0 25.643749 -10.709853 6.836033 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=195) 0 29.083734 -6.015823 2.788249 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=195) 0 29.322786 -7.054376 2.173339 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=196) 0 28.792192 -4.871527 2.167279 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=196) 0 28.617280 -4.057259 2.742169 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=196) 0 28.641703 -4.719519 0.717500 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=196) 0 28.823454 -5.689685 0.255478 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=196) 0 27.179363 -4.361545 0.402575 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=196) 0 26.962622 -3.366234 0.794165 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=196) 0 27.036259 -4.336219 -0.677944 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=196) 0 26.204765 -5.368782 0.994810 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=196) 0 26.171327 -6.687589 0.499952 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=196) 0 26.792723 -6.967654 -0.339625 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=196) 0 25.367089 -7.659245 1.126782 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=196) 0 25.364724 -8.674701 0.761114 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=196) 0 24.586466 -7.315615 2.251901 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=196) 0 23.853962 -8.263583 2.894844 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=196) 0 23.956297 -9.137916 2.470948 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=196) 0 24.605713 -5.990614 2.735690 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=196) 0 24.016819 -5.734231 3.602593 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=196) 0 25.416583 -5.023177 2.109603 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=196) 0 25.463709 -4.020188 2.508607 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=196) 0 29.696097 -3.789899 0.086443 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=196) 0 29.501312 -3.323249 -1.037942 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=197) 0 30.839509 -3.587284 0.757180 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=197) 0 30.934657 -4.023203 1.667315 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=197) 0 31.984171 -2.783389 0.290587 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=197) 0 32.710334 -2.787521 1.103660 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=197) 0 32.669159 -3.444661 -0.928730 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=197) 0 31.973722 -3.472045 -1.767416 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=197) 0 33.514145 -2.828979 -1.237319 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=197) 0 33.191930 -4.866012 -0.681536 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=197) 0 32.369704 -5.518579 -0.394843 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=197) 0 33.615413 -5.243901 -1.609301 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=197) 0 34.270104 -4.908712 0.391024 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=197) 0 34.127942 -5.538665 1.429163 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=197) 0 35.378453 -4.238867 0.203001 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=197) 0 36.084657 -4.263921 0.925046 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=197) 0 35.550087 -3.765480 -0.677920 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=197) 0 31.678432 -1.290001 0.053651 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=197) 0 32.299978 -0.656553 -0.800804 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=198) 0 30.716085 -0.706484 0.774271 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=198) 0 30.236666 -1.246281 1.485992 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=198) 0 30.302767 0.683036 0.556526 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=198) 0 30.531467 0.954844 -0.473424 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=198) 0 28.777669 0.819395 0.711441 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=198) 0 28.521363 0.664042 1.755713 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=198) 0 28.498644 1.840982 0.448983 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=198) 0 27.933540 -0.157330 -0.128419 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=198) 0 28.134225 -1.178210 0.194038 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=198) 0 26.458712 0.130729 0.129060 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=198) 0 26.195580 1.123958 -0.236098 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=198) 0 25.843913 -0.615436 -0.368191 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=198) 0 26.261931 0.077016 1.197592 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=198) 0 28.195242 -0.056310 -1.632241 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=198) 0 29.217303 -0.361890 -1.853517 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=198) 0 27.511073 -0.710367 -2.171616 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=198) 0 28.044137 0.968817 -1.968036 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=198) 0 31.075782 1.658513 1.460946 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=198) 0 30.884647 1.690671 2.675660 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=199) 0 31.909715 2.511133 0.867073 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=199) 0 32.057204 2.413869 -0.129750 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=199) 0 32.534998 3.658776 1.547081 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=199) 0 32.793009 3.368004 2.566928 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=199) 0 33.836200 4.034614 0.820239 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=199) 0 34.432319 4.663024 1.483756 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=199) 0 34.411923 3.131529 0.613884 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=199) 0 33.586532 4.791799 -0.488352 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=199) 0 33.042722 4.184923 -1.442543 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=199) 0 33.934154 5.993074 -0.571448 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=199) 0 31.603680 4.884686 1.624601 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=199) 0 31.826957 5.799148 2.420084 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=200) 0 30.574346 4.910776 0.774201 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=200) 0 30.451949 4.086370 0.197586 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=200) 0 29.769749 6.080423 0.405477 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=200) 0 29.981936 6.912915 1.077821 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=200) 0 30.193935 6.459082 -1.025676 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=200) 0 31.261348 6.681207 -1.022823 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=200) 0 30.046491 5.583765 -1.652745 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=200) 0 29.467167 7.650017 -1.668269 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=200) 0 28.395869 7.581459 -1.506878 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=200) 0 29.818471 8.570077 -1.200257 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=200) 0 29.728216 7.717314 -3.183536 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=200) 0 29.312790 8.644280 -3.566850 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=200) 0 30.802233 7.754889 -3.357306 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=200) 0 29.143347 6.548508 -3.994685 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=200) 0 29.448881 6.669631 -5.038567 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=200) 0 29.572859 5.606461 -3.642821 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=200) 0 27.663537 6.498540 -3.918304 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=200) 0 27.267236 7.391533 -4.203017 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=200) 0 27.299272 5.768581 -4.525866 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=200) 0 27.340618 6.314079 -2.972372 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=200) 0 28.282014 5.744691 0.489735 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=200) 0 27.884280 4.617903 0.192375 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=201) 0 27.459188 6.726601 0.841646 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=201) 0 27.849147 7.619163 1.109354 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=201) 0 25.999007 6.598699 0.840327 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=201) 0 25.729020 5.769245 1.493345 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=201) 0 25.374719 7.875703 1.412848 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=201) 0 25.596273 8.708949 0.743842 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=201) 0 24.292731 7.755496 1.451213 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=201) 0 25.892724 8.207688 2.812263 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=201) 0 25.246842 7.840464 3.817474 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=201) 0 26.915048 8.923917 2.918189 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=201) 0 25.429744 6.291588 -0.561298 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=201) 0 25.997740 6.676166 -1.593830 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=202) 0 24.293252 5.598602 -0.618330 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=202) 0 23.834370 5.341801 0.254866 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=202) 0 23.669996 5.175952 -1.873141 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=202) 0 23.179893 6.027810 -2.340772 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=202) 0 24.441755 4.806098 -2.549067 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=202) 0 22.620762 4.086089 -1.694020 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=202) 0 22.043007 3.922682 -0.625309 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=203) 0 22.355128 3.332328 -2.758744 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=203) 0 22.902604 3.465924 -3.596436 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=203) 0 21.356180 2.253193 -2.778428 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=203) 0 21.148848 1.937010 -1.757071 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=203) 0 20.028644 2.732810 -3.409785 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=203) 0 20.195957 2.994148 -4.450849 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=203) 0 18.942276 1.656411 -3.361026 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=203) 0 18.770348 1.351525 -2.329687 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=203) 0 18.014921 2.044537 -3.775379 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=203) 0 19.234668 0.793580 -3.956525 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=203) 0 19.481147 3.978172 -2.702727 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=203) 0 20.142514 4.822726 -2.885676 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=203) 0 18.499712 4.238471 -3.087483 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=203) 0 19.404330 3.795018 -1.632533 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=203) 0 21.932567 1.050664 -3.519543 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=203) 0 22.686198 1.217874 -4.477622 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=204) 0 21.576858 -0.159604 -3.094309 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=204) 0 20.973554 -0.226415 -2.278332 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=204) 0 21.956518 -1.409109 -3.759740 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=204) 0 22.395557 -1.170661 -4.725504 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=204) 0 23.017356 -2.179694 -2.955594 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=204) 0 22.588409 -2.498358 -2.009815 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=204) 0 23.479070 -3.428384 -3.700199 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=204) 0 23.917598 -3.149038 -4.657960 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=204) 0 24.219023 -3.949578 -3.093747 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=204) 0 22.640299 -4.104906 -3.862880 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=204) 0 24.265843 -1.332296 -2.677388 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=204) 0 24.013147 -0.485107 -2.041017 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=204) 0 25.016021 -1.933794 -2.165176 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=204) 0 24.683743 -0.959887 -3.613065 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=204) 0 20.715159 -2.263003 -4.001931 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=204) 0 19.952696 -2.543969 -3.077797 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=205) 0 20.522465 -2.686364 -5.249719 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=205) 0 21.237100 -2.451715 -5.931808 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=205) 0 19.497748 -3.640957 -5.664666 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=205) 0 18.698724 -3.655091 -4.922210 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=205) 0 18.879768 -3.165193 -6.990196 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=205) 0 18.367698 -2.233377 -6.757828 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=205) 0 19.669650 -2.932603 -7.703036 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=205) 0 17.861109 -4.108368 -7.662918 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=205) 0 17.239274 -4.585862 -6.906333 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=205) 0 16.964062 -3.263686 -8.568762 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=205) 0 17.563376 -2.740791 -9.313507 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=205) 0 16.232028 -3.894695 -9.064194 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=205) 0 16.434973 -2.528713 -7.965036 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=205) 0 18.513360 -5.181141 -8.544679 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=205) 0 19.061728 -5.896237 -7.938082 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=205) 0 17.748569 -5.736262 -9.082651 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=205) 0 19.187100 -4.719838 -9.264615 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=205) 0 20.109240 -5.038742 -5.712507 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=205) 0 21.128940 -5.266320 -6.363329 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=206) 0 19.461748 -5.977325 -5.040530 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=206) 0 18.572768 -5.729474 -4.619251 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=206) 0 19.838773 -7.379317 -4.966976 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=206) 0 20.813889 -7.518779 -5.430021 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=206) 0 19.943366 -7.812877 -3.502129 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=206) 0 18.965679 -7.698203 -3.031750 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=206) 0 20.192623 -8.874260 -3.482116 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=206) 0 20.972860 -7.062723 -2.676923 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=206) 0 20.638381 -5.837208 -2.067881 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=206) 0 19.656025 -5.409653 -2.211073 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=206) 0 21.576217 -5.170317 -1.261206 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=206) 0 21.313541 -4.232045 -0.797193 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=206) 0 22.851032 -5.725647 -1.056603 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=206) 0 23.568284 -5.219830 -0.424663 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=206) 0 23.190633 -6.943546 -1.670888 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=206) 0 24.167647 -7.374585 -1.508056 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=206) 0 22.255308 -7.609967 -2.482506 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=206) 0 22.517219 -8.553368 -2.940700 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=206) 0 18.821215 -8.236751 -5.719760 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=206) 0 17.647216 -7.882221 -5.834876 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=207) 0 19.276416 -9.374600 -6.235040 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=207) 0 20.265522 -9.579672 -6.136894 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=207) 0 18.432914 -10.398525 -6.858132 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=207) 0 17.531402 -10.509303 -6.253732 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=207) 0 18.026202 -9.963927 -8.279174 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=207) 0 17.470247 -10.773488 -8.753345 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=207) 0 17.361623 -9.101956 -8.212321 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=207) 0 19.228346 -9.586510 -9.153867 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=207) 0 19.676234 -8.661286 -8.787437 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=207) 0 19.967979 -10.380643 -9.107241 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=207) 0 18.804758 -9.396956 -10.607251 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=207) 0 18.423930 -10.341924 -10.986321 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=207) 0 18.032905 -8.630683 -10.669997 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=207) 0 20.020851 -8.979225 -11.425157 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=207) 0 20.429654 -8.054699 -11.010478 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=207) 0 20.797032 -9.745072 -11.337354 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=207) 0 19.685141 -8.766800 -12.844770 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=207) 0 18.979549 -8.046734 -12.953267 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=207) 0 20.512434 -8.440390 -13.334859 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=207) 0 19.440450 -9.633279 -13.324873 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=207) 0 19.128319 -11.756862 -6.855757 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=207) 0 20.336628 -11.836244 -6.631644 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=208) 0 18.388418 -12.828721 -7.129972 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=208) 0 17.391639 -12.670163 -7.258616 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=208) 0 18.891336 -14.217552 -7.071964 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=208) 0 19.779298 -14.225528 -6.436462 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=208) 0 17.855252 -15.110210 -6.369696 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=208) 0 16.936045 -15.150356 -6.957458 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=208) 0 18.257254 -16.119065 -6.284056 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=208) 0 17.550507 -14.570340 -4.961263 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=208) 0 18.484109 -14.361758 -4.436947 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=208) 0 16.990855 -13.639138 -5.045632 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=208) 0 16.737474 -15.564512 -4.134678 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=208) 0 15.862604 -15.883535 -4.703839 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=208) 0 17.355312 -16.433212 -3.903371 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=208) 0 16.285690 -14.890036 -2.840871 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=208) 0 17.158392 -14.508493 -2.304358 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=208) 0 15.647296 -14.044770 -3.100571 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=208) 0 15.538885 -15.836673 -1.991736 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=208) 0 16.176517 -16.494741 -1.550577 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=208) 0 15.041957 -15.351219 -1.253841 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=208) 0 14.846932 -16.345299 -2.542432 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=208) 0 19.400219 -14.765909 -8.416815 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=208) 0 19.487357 -15.979873 -8.605823 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=209) 0 19.720683 -13.874917 -9.354300 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=209) 0 19.686806 -12.899196 -9.107434 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=209) 0 20.154088 -14.184795 -10.718834 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=209) 0 20.755383 -15.094540 -10.694208 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=209) 0 18.917420 -14.453904 -11.600353 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=209) 0 19.245533 -14.638198 -12.623749 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=209) 0 18.450680 -15.377573 -11.256199 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=209) 0 17.847841 -13.371784 -11.610291 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=209) 0 17.772948 -12.454253 -12.675535 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=209) 0 18.482147 -12.509435 -13.489555 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=209) 0 16.757020 -11.480865 -12.700626 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=209) 0 16.694420 -10.796479 -13.533619 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=209) 0 15.818317 -11.413295 -11.653859 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=209) 0 15.025229 -10.679129 -11.673789 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=209) 0 15.884983 -12.331164 -10.592763 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=209) 0 15.147390 -12.298769 -9.801715 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=209) 0 16.888240 -13.315397 -10.578830 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=209) 0 16.904843 -14.045097 -9.782560 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=209) 0 21.052171 -13.071735 -11.292217 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=209) 0 21.124196 -11.972795 -10.741972 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=210) 0 21.737345 -13.361979 -12.400839 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=210) 0 21.608217 -14.284392 -12.792973 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=210) 0 22.787322 -12.536299 -13.025033 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=210) 0 23.237063 -13.128153 -13.821915 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=210) 0 22.182496 -11.293736 -13.709433 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=210) 0 21.865579 -10.586266 -12.945062 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=210) 0 22.955036 -10.811203 -14.309526 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=210) 0 20.997553 -11.615090 -14.625081 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=210) 0 20.043852 -10.798012 -14.644943 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=210) 0 21.034533 -12.670399 -15.306468 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=210) 0 23.935290 -12.245083 -12.038271 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=210) 0 24.296989 -13.124397 -11.249685 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=211) 0 24.527843 -11.047427 -12.043555 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=211) 0 24.238718 -10.368355 -12.737394 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=211) 0 25.538406 -10.638507 -11.047789 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=211) 0 26.360920 -11.354049 -11.087808 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=211) 0 26.123939 -9.261503 -11.418502 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=211) 0 27.042294 -9.125759 -10.846034 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=211) 0 26.397977 -9.264064 -12.473155 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=211) 0 25.220659 -8.048884 -11.136148 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=211) 0 25.032241 -7.998616 -10.065251 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=211) 0 25.754928 -7.140932 -11.421899 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=211) 0 23.889342 -8.100885 -11.885418 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=211) 0 23.896453 -8.007852 -13.135909 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=211) 0 22.836540 -8.282278 -11.233295 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=211) 0 25.002181 -10.651917 -9.599095 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=211) 0 25.767045 -10.790754 -8.641209 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=212) 0 23.681057 -10.534204 -9.430299 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=212) 0 23.120731 -10.385665 -10.263245 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=212) 0 22.965822 -10.655024 -8.159339 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=212) 0 21.938682 -10.937900 -8.370759 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=212) 0 23.416340 -11.454685 -7.572620 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=212) 0 22.955569 -9.393309 -7.293330 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=212) 0 22.222669 -9.343972 -6.300781 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=213) 0 23.748574 -8.371323 -7.634587 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=213) 0 24.312273 -8.473800 -8.470528 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=213) 0 23.917926 -7.148390 -6.839381 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=213) 0 22.969268 -6.912607 -6.358076 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=213) 0 24.960096 -7.430738 -5.745918 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=213) 0 24.654062 -8.324069 -5.198976 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=213) 0 25.927615 -7.625826 -6.208972 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=213) 0 25.073187 -6.287569 -4.733918 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=213) 0 24.123836 -5.759551 -4.713347 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=213) 0 25.231433 -6.705914 -3.739144 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=213) 0 26.210493 -5.303237 -5.043393 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=213) 0 26.366630 -5.219313 -6.120058 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=213) 0 25.911833 -4.326298 -4.671219 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=213) 0 27.458724 -5.729826 -4.386872 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=213) 0 27.703431 -6.713671 -4.477342 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=213) 0 28.214733 -5.003311 -3.587114 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=213) 0 28.061467 -3.715943 -3.441412 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=213) 0 27.388529 -3.215514 -4.017407 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=213) 0 28.582964 -3.240095 -2.714443 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=213) 0 29.152468 -5.556547 -2.876331 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=213) 0 29.291595 -6.565899 -2.880345 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=213) 0 29.711601 -4.963214 -2.286706 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=213) 0 24.321099 -5.960721 -7.714855 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=213) 0 25.293216 -6.033858 -8.453260 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=214) 0 23.582261 -4.861301 -7.605352 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=214) 0 22.810682 -4.882248 -6.948901 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=214) 0 23.646277 -3.707337 -8.500685 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=214) 0 24.538870 -3.764697 -9.129031 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=214) 0 22.392466 -3.722200 -9.397929 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=214) 0 21.499336 -3.739072 -8.777860 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=214) 0 22.366403 -2.812396 -9.997892 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=214) 0 22.363393 -4.910303 -10.337033 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=214) 0 22.789556 -4.820616 -11.476387 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=214) 0 21.876737 -6.045703 -9.897568 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=214) 0 22.091302 -6.873158 -10.462444 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=214) 0 21.560422 -6.122361 -8.948782 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=214) 0 23.713688 -2.418715 -7.675070 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=214) 0 22.809540 -2.155379 -6.883568 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=215) 0 24.760460 -1.614888 -7.849255 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=215) 0 25.446442 -1.848831 -8.561959 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=215) 0 24.979102 -0.385810 -7.084087 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=215) 0 24.507996 -0.467715 -6.101863 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=215) 0 26.488279 -0.207934 -6.885948 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=215) 0 26.951793 -0.218467 -7.870418 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=215) 0 26.672496 0.767316 -6.441859 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=215) 0 27.189110 -1.247816 -6.023252 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=215) 0 26.613390 -2.028404 -5.276121 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=215) 0 28.497717 -1.282020 -6.101509 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=215) 0 28.996832 -1.950344 -5.547933 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=215) 0 28.964607 -0.641336 -6.727223 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=215) 0 24.374064 0.828682 -7.815694 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=215) 0 24.591405 1.004550 -9.017074 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=216) 0 23.635027 1.682899 -7.106858 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=216) 0 23.489876 1.489113 -6.121092 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=216) 0 22.877715 2.796236 -7.690321 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=216) 0 22.290358 2.402721 -8.520194 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=216) 0 21.897876 3.335587 -6.646711 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=216) 0 21.226214 2.524606 -6.365789 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=216) 0 22.452248 3.647580 -5.760661 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=216) 0 21.071665 4.501863 -7.140309 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=216) 0 19.877748 4.263397 -7.837165 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=216) 0 19.537982 3.252033 -7.964315 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=216) 0 19.131749 5.331036 -8.362405 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=216) 0 18.214262 5.141142 -8.896514 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=216) 0 19.586304 6.646333 -8.189319 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=216) 0 19.027114 7.478955 -8.586447 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=216) 0 20.779836 6.885607 -7.493638 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=216) 0 21.127781 7.896223 -7.367929 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=216) 0 21.523445 5.820515 -6.964351 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=216) 0 22.448810 6.019605 -6.442192 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=216) 0 23.754458 3.925452 -8.251797 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=216) 0 24.722384 4.357183 -7.621305 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=217) 0 23.363399 4.453535 -9.411672 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=217) 0 22.505650 4.111195 -9.826077 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=217) 0 24.140866 5.398130 -10.220235 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=217) 0 25.145965 5.493118 -9.809527 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=217) 0 24.265040 4.837950 -11.644801 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=217) 0 23.263462 4.661518 -12.031422 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=217) 0 24.745144 5.578607 -12.283962 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=217) 0 25.062722 3.529407 -11.719471 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=217) 0 26.126959 3.767163 -11.729397 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=217) 0 24.865337 2.918121 -10.839963 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=217) 0 24.693051 2.718240 -12.963059 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=217) 0 24.788620 3.267744 -14.083934 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=217) 0 24.320819 1.528976 -12.811468 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=217) 0 23.503074 6.796807 -10.263999 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=217) 0 22.319896 6.945013 -10.598733 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=218) 0 24.304088 7.825144 -9.983542 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=218) 0 25.240082 7.629778 -9.649548 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=218) 0 23.891342 9.227403 -10.050686 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=218) 0 24.773871 9.863524 -10.114063 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=218) 0 23.306200 9.373913 -10.956640 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=218) 0 23.061074 9.690251 -8.853950 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=218) 0 23.167240 9.145796 -7.755504 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=219) 0 22.240077 10.717615 -9.053152 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=219) 0 22.156306 11.094559 -9.991595 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=219) 0 21.457105 11.349672 -7.989788 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=219) 0 22.118474 11.502786 -7.137215 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=219) 0 20.992959 12.727993 -8.457847 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=219) 0 21.881961 13.291941 -8.735822 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=219) 0 20.354254 12.615702 -9.334892 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=219) 0 20.227414 13.507416 -7.381480 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=219) 0 19.184276 13.188669 -7.373208 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=219) 0 20.656192 13.278695 -6.403363 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=219) 0 20.311754 15.018859 -7.615719 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=219) 0 20.322202 15.471209 -8.788111 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=219) 0 20.446604 15.756847 -6.608450 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=219) 0 20.276391 10.487368 -7.531203 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=219) 0 19.444660 10.050752 -8.333995 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=220) 0 20.184550 10.258795 -6.219650 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=220) 0 20.889386 10.668716 -5.611525 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=220) 0 19.132686 9.429049 -5.621068 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=220) 0 18.997925 8.537571 -6.230909 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=220) 0 19.511130 8.969977 -4.202003 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=220) 0 19.545530 9.844353 -3.561621 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=220) 0 18.469708 7.989469 -3.653764 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=220) 0 18.466297 7.085976 -4.262372 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=220) 0 18.711264 7.732314 -2.625230 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=220) 0 17.476677 8.438118 -3.653156 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=220) 0 20.873060 8.269484 -4.128057 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=220) 0 21.659707 8.934160 -4.481578 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=220) 0 21.098777 8.006699 -3.095490 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=220) 0 20.865961 7.364974 -4.732219 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=220) 0 17.814768 10.200479 -5.601877 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=220) 0 17.611937 11.072441 -4.756751 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=221) 0 16.897548 9.852193 -6.501254 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=221) 0 17.142790 9.161884 -7.194698 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=221) 0 15.510638 10.342558 -6.499275 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=221) 0 15.330071 10.832669 -5.551428 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=221) 0 15.218576 11.393516 -7.587376 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=221) 0 14.401442 12.002268 -7.211011 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=221) 0 16.381422 12.329639 -7.907745 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=221) 0 17.205129 11.773436 -8.351334 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=221) 0 16.051630 13.091754 -8.613689 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=221) 0 16.723527 12.814002 -6.993664 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=221) 0 14.775061 10.816826 -8.793559 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=221) 0 13.906339 11.239958 -8.964022 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=221) 0 14.533972 9.175670 -6.598564 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=221) 0 14.918149 8.105888 -7.074869 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=222) 0 13.267800 9.361572 -6.199326 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=222) 0 13.020391 10.244612 -5.760174 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=222) 0 12.204876 8.365906 -6.417560 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=222) 0 12.432844 7.475803 -5.835054 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=222) 0 10.851371 8.932266 -5.948102 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=222) 0 10.903920 9.111352 -4.873937 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=222) 0 10.666905 9.886581 -6.446312 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=222) 0 9.680239 7.976163 -6.251193 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=222) 0 9.606022 7.828990 -7.328498 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=222) 0 9.864435 7.012915 -5.778522 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=222) 0 8.340113 8.533500 -5.763274 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=222) 0 8.336031 8.582473 -4.677121 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=222) 0 8.228543 9.537489 -6.164598 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=222) 0 7.175136 7.656662 -6.240858 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=222) 0 7.132622 7.697380 -7.333050 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=222) 0 7.375921 6.624072 -5.947539 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=222) 0 5.875229 8.094428 -5.673000 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=222) 0 5.697643 9.075473 -5.882102 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=222) 0 5.105484 7.531849 -6.038451 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=222) 0 5.855271 7.974422 -4.663632 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=222) 0 12.154718 7.937435 -7.883806 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=222) 0 12.150325 6.747810 -8.175353 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=223) 0 12.174022 8.899769 -8.800014 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=223) 0 12.252484 9.859859 -8.480096 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=223) 0 12.099024 8.659509 -10.241475 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=223) 0 11.199405 8.080049 -10.456042 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=223) 0 11.999597 9.994226 -11.000011 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=223) 0 12.939964 10.542107 -10.933599 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=223) 0 11.839286 9.755153 -12.049038 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=223) 0 10.836938 10.893876 -10.543175 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=223) 0 10.579042 11.548338 -11.374792 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=223) 0 9.963135 10.269596 -10.343971 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=223) 0 11.127565 11.775287 -9.314136 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=223) 0 12.246515 11.739079 -8.746923 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=223) 0 10.199431 12.506516 -8.882273 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=223) 0 13.297892 7.840617 -10.739919 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=223) 0 13.110057 6.794436 -11.364787 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=224) 0 14.519246 8.256777 -10.385721 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=224) 0 14.598410 9.114203 -9.847558 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=224) 0 15.751305 7.559304 -10.755189 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=224) 0 15.761505 7.408135 -11.836597 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=224) 0 16.959859 8.426004 -10.357247 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=224) 0 16.871696 8.722460 -9.312593 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=224) 0 17.864796 7.832125 -10.473745 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=224) 0 17.157098 9.664903 -11.209198 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=224) 0 16.650184 9.785850 -12.318135 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=224) 0 17.978175 10.582126 -10.755474 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=224) 0 18.138356 11.413764 -11.303148 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=224) 0 18.460440 10.436780 -9.871752 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=224) 0 15.856880 6.165945 -10.115122 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=224) 0 16.436148 5.266174 -10.717407 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=225) 0 15.304161 5.959430 -8.915549 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=225) 0 14.882976 6.752176 -8.440400 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=225) 0 15.266191 4.654738 -8.247225 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=225) 0 16.240117 4.185598 -8.341024 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=225) 0 14.946126 4.845654 -6.760191 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=225) 0 14.135174 5.568292 -6.666694 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=225) 0 14.595699 3.899323 -6.344835 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=225) 0 16.160045 5.313250 -5.945007 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=225) 0 16.668862 6.136341 -6.446367 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=225) 0 15.673619 5.776275 -4.578184 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=225) 0 15.083274 4.983818 -4.124342 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=225) 0 16.516457 6.009669 -3.933637 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=225) 0 15.055531 6.667671 -4.691569 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=225) 0 17.147565 4.167422 -5.715957 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=225) 0 17.427909 3.704435 -6.657224 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=225) 0 18.051530 4.563231 -5.257443 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=225) 0 16.697936 3.409328 -5.077098 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=225) 0 14.267130 3.697291 -8.894345 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=225) 0 14.590136 2.526185 -9.089028 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=226) 0 13.089982 4.193325 -9.277861 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=226) 0 12.876982 5.162891 -9.061342 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=226) 0 12.128156 3.428537 -10.067306 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=226) 0 11.902059 2.497873 -9.547398 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=226) 0 10.830594 4.246441 -10.215330 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=226) 0 11.097031 5.227665 -10.599460 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=226) 0 10.185399 3.761224 -10.949111 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=226) 0 10.027058 4.449355 -8.913945 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=226) 0 10.677116 4.805074 -8.120115 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=226) 0 8.918701 5.479222 -9.135150 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=226) 0 8.234471 5.127789 -9.909608 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=226) 0 8.364462 5.627756 -8.210662 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=226) 0 9.357161 6.426400 -9.448058 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=226) 0 9.376230 3.165304 -8.420037 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=226) 0 10.142330 2.429046 -8.187816 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=226) 0 8.808076 3.367080 -7.513384 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=226) 0 8.701593 2.777754 -9.184131 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=226) 0 12.743095 3.036464 -11.422877 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=226) 0 12.635076 1.879947 -11.819137 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=227) 0 13.460684 3.936780 -12.104496 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=227) 0 13.511661 4.886769 -11.747203 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=227) 0 14.200786 3.602471 -13.333907 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=227) 0 13.514964 3.140079 -14.043160 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=227) 0 14.765383 4.874693 -13.982056 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=227) 0 15.330714 5.443406 -13.242676 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=227) 0 15.450472 4.584258 -14.778765 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=227) 0 13.678256 5.752982 -14.597469 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=227) 0 12.837601 5.229820 -15.368724 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=227) 0 13.656169 6.975230 -14.329919 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=227) 0 15.324500 2.579875 -13.086412 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=227) 0 15.420624 1.576293 -13.787075 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=228) 0 16.141057 2.762500 -12.049835 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=228) 0 16.051790 3.622501 -11.517797 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=228) 0 17.179302 1.806827 -11.644507 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=228) 0 17.918817 1.728061 -12.441623 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=228) 0 17.860909 2.381678 -10.400675 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=228) 0 18.519930 3.190319 -10.716172 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=228) 0 17.097434 2.829652 -9.771814 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=228) 0 18.647898 1.424999 -9.530428 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=228) 0 19.936509 1.006556 -9.910490 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=228) 0 20.340723 1.287126 -10.873155 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=228) 0 20.717315 0.249498 -9.019897 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=228) 0 21.708536 -0.070836 -9.308332 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=228) 0 20.226938 -0.055756 -7.739462 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=228) 0 20.847262 -0.595960 -7.042109 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=228) 0 18.933125 0.343476 -7.365046 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=228) 0 18.555675 0.105170 -6.380743 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=228) 0 18.134817 1.063515 -8.268506 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=228) 0 17.145533 1.385162 -7.971652 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=228) 0 16.624130 0.393377 -11.401460 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=228) 0 17.272953 -0.583913 -11.774944 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=229) 0 15.407235 0.276525 -10.862341 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=229) 0 14.953835 1.128661 -10.544785 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=229) 0 14.668958 -0.987760 -10.733621 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=229) 0 15.331560 -1.730779 -10.290728 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=229) 0 13.479217 -0.771267 -9.764329 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=229) 0 12.976488 0.152489 -10.044216 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=229) 0 12.421446 -1.889136 -9.785973 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=229) 0 12.814350 -2.781699 -9.308475 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=229) 0 11.540132 -1.571718 -9.229473 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=229) 0 12.110488 -2.124624 -10.802623 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=229) 0 14.031489 -0.614433 -8.327652 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=229) 0 14.356857 -1.584833 -7.954065 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=229) 0 14.900900 0.041586 -8.330940 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=229) 0 13.027121 -0.026320 -7.336955 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=229) 0 12.232251 -0.743712 -7.135301 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=229) 0 13.549800 0.196034 -6.407116 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=229) 0 12.602838 0.896910 -7.732589 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=229) 0 14.278631 -1.526632 -12.122429 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=229) 0 14.635137 -2.664260 -12.451622 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=230) 0 13.634693 -0.714164 -12.975032 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=230) 0 13.417843 0.228485 -12.659114 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=230) 0 13.273652 -1.082414 -14.364293 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=230) 0 12.535917 -1.886693 -14.350184 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=230) 0 12.667629 0.128611 -15.099503 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=230) 0 13.386542 0.945177 -15.075462 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=230) 0 12.517102 -0.135582 -16.147360 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=230) 0 11.321965 0.614649 -14.533830 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=230) 0 10.553959 -0.108761 -14.781806 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=230) 0 11.367380 0.670759 -13.451975 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=230) 0 10.924002 1.979155 -15.120153 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=230) 0 11.798882 2.448378 -15.566559 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=230) 0 10.179066 1.824496 -15.900796 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=230) 0 10.357661 2.934724 -14.065901 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=230) 0 9.357382 2.601409 -13.770932 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=230) 0 11.002559 2.902792 -13.187247 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=230) 0 10.308831 4.320670 -14.586726 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=230) 0 9.641533 4.400673 -15.350091 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=230) 0 10.072136 4.991059 -13.858538 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=230) 0 11.219325 4.617186 -14.938994 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=230) 0 14.472476 -1.594148 -15.176153 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=230) 0 14.300649 -2.483382 -16.007388 L N-N--0.415700(PDBName=N,ResName=HID,ResNum=231) 0 15.675490 -1.078967 -14.919493 L H-H-0.271900(PDBName=H,ResName=HID,ResNum=231) 0 15.698598 -0.276926 -14.298989 L C-CT-0.018800(PDBName=CA,ResName=HID,ResNum=231) 0 16.895313 -1.394360 -15.672223 L H-H1-0.088100(PDBName=HA,ResName=HID,ResNum=231) 0 16.601617 -1.862082 -16.612933 L C-CT--0.046200(PDBName=CB,ResName=HID,ResNum=231) 0 17.600107 -0.075512 -16.048581 L H-HC-0.040200(PDBName=HB2,ResName=HID,ResNum=231) 0 17.930257 0.425421 -15.137265 L H-HC-0.040200(PDBName=HB3,ResName=HID,ResNum=231) 0 18.481586 -0.300150 -16.649909 L C-CC--0.026600(PDBName=CG,ResName=HID,ResNum=231) 0 16.729170 0.869331 -16.848449 L N-NA--0.381100(PDBName=ND1,ResName=HID,ResNum=231) 0 16.126924 0.595960 -18.054084 L H-H-0.364900(PDBName=HD1,ResName=HID,ResNum=231) 0 16.275478 -0.234386 -18.623986 L C-CR-0.205700(PDBName=CE1,ResName=HID,ResNum=231) 0 15.400161 1.663919 -18.416261 L H-H5-0.139200(PDBName=HE1,ResName=HID,ResNum=231) 0 14.823288 1.735199 -19.330132 L N-NB--0.572700(PDBName=NE2,ResName=HID,ResNum=231) 0 15.509591 2.643561 -17.499516 L C-CV-0.129200(PDBName=CD2,ResName=HID,ResNum=231) 0 16.372973 2.148151 -16.512733 L H-H4-0.114700(PDBName=HD2,ResName=HID,ResNum=231) 0 16.696474 2.679059 -15.629562 L C-C-0.597300(PDBName=C,ResName=HID,ResNum=231) 0 17.842956 -2.413750 -14.994117 L O-O--0.567900(PDBName=O,ResName=HID,ResNum=231) 0 18.934674 -2.645249 -15.522600 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=232) 0 17.485549 -3.028713 -13.849194 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=232) 0 16.596032 -2.781508 -13.433968 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=232) 0 18.367477 -3.998339 -13.157312 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=232) 0 19.058911 -4.414551 -13.893664 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=232) 0 19.224298 -3.262187 -12.104726 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=232) 0 18.581075 -2.733847 -11.405878 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=232) 0 19.792108 -4.000692 -11.540898 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=232) 0 20.235718 -2.294871 -12.704300 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=232) 0 21.303820 -2.683108 -13.152418 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=232) 0 19.948320 -1.019083 -12.748089 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=232) 0 20.659899 -0.401451 -13.125014 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=232) 0 19.054064 -0.704555 -12.389722 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=232) 0 17.691885 -5.248457 -12.533659 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=232) 0 18.343947 -6.294696 -12.478795 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=233) 0 16.429245 -5.206722 -12.077063 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=233) 0 15.906301 -4.346374 -12.181161 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=233) 0 15.695962 -6.433411 -11.668881 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=233) 0 16.429579 -7.181796 -11.374626 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=233) 0 14.860291 -6.214001 -10.398044 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=233) 0 14.334423 -7.136259 -10.173875 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=233) 0 15.563546 -6.055363 -9.584072 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=233) 0 13.851151 -5.063009 -10.344944 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=233) 0 13.536479 -4.939040 -9.311070 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=233) 0 14.342759 -4.140616 -10.621060 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=233) 0 12.593374 -5.284605 -11.175896 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=233) 0 11.644069 -5.908691 -10.716796 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=233) 0 12.552031 -4.782736 -12.390389 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=233) 0 13.321230 -4.232088 -12.747729 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=233) 0 11.729016 -4.921236 -12.965109 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=233) 0 14.957229 -7.089649 -12.850369 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=233) 0 15.278309 -6.761946 -13.983663 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=234) 0 14.056356 -8.058699 -12.641169 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=234) 0 13.834509 -8.344748 -11.698208 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=234) 0 13.237575 -8.655670 -13.711853 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=234) 0 12.952401 -7.859050 -14.398399 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=234) 0 14.078460 -9.710011 -14.471549 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=234) 0 15.084395 -9.328673 -14.645043 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=234) 0 14.161678 -10.589451 -13.833697 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=234) 0 13.499703 -10.157034 -15.827522 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=234) 0 12.434665 -10.323408 -15.735846 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=234) 0 13.722630 -9.121632 -16.928876 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=234) 0 14.784179 -9.020061 -17.141213 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=234) 0 13.209264 -9.443302 -17.835079 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=234) 0 13.319528 -8.154981 -16.629877 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=234) 0 14.161077 -11.461857 -16.272057 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=234) 0 13.940870 -12.242528 -15.542282 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=234) 0 13.748740 -11.771355 -17.232463 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=234) 0 15.239502 -11.336431 -16.356742 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=234) 0 11.970000 -9.323569 -13.124338 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=234) 0 12.091226 -9.983360 -12.088579 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=235) 0 10.786386 -9.200020 -13.758548 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=235) 0 10.467564 -8.257921 -14.826388 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=235) 0 11.170117 -8.330399 -15.655326 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=235) 0 10.464733 -7.244005 -14.423492 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=235) 0 9.064178 -8.622774 -15.310497 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=235) 0 9.132887 -9.351488 -16.119969 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=235) 0 8.503542 -7.745597 -15.632266 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=235) 0 8.438800 -9.276832 -14.080292 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=235) 0 7.602754 -9.925722 -14.345335 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=235) 0 8.113494 -8.511411 -13.381769 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=235) 0 9.616331 -10.036685 -13.468299 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=235) 0 9.469625 -10.131161 -12.392104 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=235) 0 9.731022 -11.444587 -14.080336 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=235) 0 10.619573 -11.712124 -14.885365 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=236) 0 8.797881 -12.334853 -13.733219 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=236) 0 8.049894 -12.034790 -13.126269 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=236) 0 8.630056 -13.655942 -14.351655 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=236) 0 9.301156 -13.751249 -15.205990 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=236) 0 8.950106 -14.781776 -13.345052 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=236) 0 8.336928 -14.643869 -12.453441 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=236) 0 8.627399 -15.719851 -13.799676 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=236) 0 10.414715 -14.994664 -12.909830 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=236) 0 10.434913 -15.951716 -12.393080 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=236) 0 11.385591 -15.108860 -14.085609 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=236) 0 11.485758 -14.149480 -14.591307 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=236) 0 12.364104 -15.417943 -13.718436 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=236) 0 11.020164 -15.855055 -14.790781 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=236) 0 10.940069 -13.946800 -11.922891 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=236) 0 10.237367 -13.835625 -11.098075 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=236) 0 11.901500 -14.271019 -11.527365 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=236) 0 11.088032 -12.990855 -12.417731 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=236) 0 7.199606 -13.804536 -14.899068 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=236) 0 6.270285 -13.195759 -14.363163 L N-N--0.382100(PDBName=N,ResName=VAL,ResNum=237) 0 7.043086 -14.610476 -15.955152 L H-H-0.268100(PDBName=H,ResName=VAL,ResNum=237) 0 7.848737 -15.106361 -16.317154 L C-CT--0.343800(PDBName=CA,ResName=VAL,ResNum=237) 0 5.781604 -14.961809 -16.637336 L H-H1-0.143800(PDBName=HA,ResName=VAL,ResNum=237) 0 5.002019 -15.100390 -15.892210 L C-CT-0.194000(PDBName=CB,ResName=VAL,ResNum=237) 0 5.353306 -13.828212 -17.589459 L H-HC-0.030800(PDBName=HB,ResName=VAL,ResNum=237) 0 5.318068 -12.905459 -17.007240 L C-CT--0.306400(PDBName=CG1,ResName=VAL,ResNum=237) 0 6.327640 -13.604433 -18.753345 L H-HC-0.083600(PDBName=HG11,ResName=VAL,ResNum=237) 0 5.999085 -12.758422 -19.354544 L H-HC-0.083600(PDBName=HG12,ResName=VAL,ResNum=237) 0 7.324500 -13.399426 -18.365304 L H-HC-0.083600(PDBName=HG13,ResName=VAL,ResNum=237) 0 6.371667 -14.497835 -19.377344 L C-CT--0.306400(PDBName=CG2,ResName=VAL,ResNum=237) 0 3.945252 -14.057091 -18.146521 L H-HC-0.083600(PDBName=HG21,ResName=VAL,ResNum=237) 0 3.251753 -14.216928 -17.321391 L H-HC-0.083600(PDBName=HG22,ResName=VAL,ResNum=237) 0 3.627510 -13.189075 -18.721663 L H-HC-0.083600(PDBName=HG23,ResName=VAL,ResNum=237) 0 3.937335 -14.939913 -18.786931 L C-C-0.835000(PDBName=C,ResName=VAL,ResNum=237) 0 5.925902 -16.311357 -17.345458 L O-O2--0.817300(PDBName=O,ResName=VAL,ResNum=237) 0 4.901185 -17.017935 -17.443212 L O-O2--0.817300(PDBName=OXT,ResName=VAL,ResNum=237) 0 7.074744 -16.626752 -17.732281 L C-C-1.004947(PDBName=C18,ResName=GDS,ResNum=238) 0 -25.687756 -14.978052 -9.562722 L H-H1 94 0.0000 O-O2--0.856478(PDBName=O5,ResName=GDS,ResNum=238) 0 -25.231266 -14.073410 -10.285342 L O-O2--0.856478(PDBName=O6,ResName=GDS,ResNum=238) 0 -26.210913 -14.873360 -8.437256 L C-CT-0.021774(PDBName=C10,ResName=GDS,ResNum=238) 0 -25.075843 -20.096262 -4.083523 L H-HC 101 0.0000 C-CT-0.090430(PDBName=C6,ResName=GDS,ResNum=238) 0 -25.836609 -21.294198 -3.517341 L C-C-0.795436(PDBName=C20,ResName=GDS,ResNum=238) 0 -24.939715 -22.013510 -2.488882 L O-O2--0.768529(PDBName=O7,ResName=GDS,ResNum=238) 0 -25.312351 -22.085110 -1.299343 L O-O2--0.768529(PDBName=O8,ResName=GDS,ResNum=238) 0 -23.862897 -22.526575 -2.871834 L N-N3--0.516764(PDBName=N6,ResName=GDS,ResNum=238) 0 -27.154410 -20.838916 -2.985802 L H-H-0.336685(PDBName=H23,ResName=GDS,ResNum=238) 0 -27.676091 -21.602823 -2.566295 L H-H-0.336685(PDBName=H24,ResName=GDS,ResNum=238) 0 -27.037137 -20.124459 -2.270387 L H-H-0.336685(PDBName=H26,ResName=GDS,ResNum=238) 0 -27.712565 -20.440059 -3.737829 L H-HP-0.075961(PDBName=H8,ResName=GDS,ResNum=238) 0 -26.021335 -21.995977 -4.330599 L H-HC-0.040870(PDBName=H15,ResName=GDS,ResNum=238) 0 -25.796418 -19.319802 -4.352863 L H-HC-0.040870(PDBName=H16,ResName=GDS,ResNum=238) 0 -24.435303 -19.707905 -3.296828 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=239) -1 -8.095415 -10.814273 -4.353708 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=239) -1 -7.685200 -10.167545 -4.997672 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=239) -1 -7.457076 -10.698022 -3.617434 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=240) -1 -5.050126 5.727813 9.841905 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=240) -1 -4.236831 6.082292 9.416672 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=240) -1 -4.858699 4.762415 9.767488 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=242) -1 16.884362 -11.138337 -3.596561 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=242) -1 15.950506 -11.429108 -3.668315 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=242) -1 16.981001 -11.140059 -2.619510 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=243) -1 -3.036945 4.818149 2.028032 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=243) -1 -3.382117 5.713057 2.259471 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=243) -1 -3.484770 4.292223 2.721883 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=244) -1 32.643502 -2.613971 12.871846 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=244) -1 31.734085 -2.707956 12.501579 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=244) -1 33.105651 -2.233172 12.095897 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=245) -1 0.037688 4.077118 15.054140 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=245) -1 -0.019277 3.725150 14.127171 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=245) -1 0.370284 3.266193 15.496738 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=246) -1 -11.749609 -20.556978 0.419765 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=246) -1 -11.590692 -19.805506 1.028845 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=246) -1 -12.356388 -20.136342 -0.230414 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=248) -1 -13.472803 -22.266838 -1.996856 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=248) -1 -12.518864 -22.493237 -2.070542 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=248) -1 -13.391959 -21.307862 -1.765695 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=250) -1 -9.762890 -12.958304 -3.849729 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=250) -1 -9.186675 -12.203040 -4.090574 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=250) -1 -10.642037 -12.548186 -3.878937 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=251) -1 -16.302539 -11.084866 -10.521315 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=251) -1 -16.642733 -11.904000 -10.994411 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=251) -1 -16.949215 -11.062611 -9.792663 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=253) -1 -9.983761 -19.750107 -1.510581 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=253) -1 -9.716531 -18.916941 -1.060102 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=253) -1 -10.477423 -20.183240 -0.778078 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=255) -1 -15.117227 -9.398046 -12.151981 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=255) -1 -14.183598 -9.555284 -11.877755 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=255) -1 -15.553479 -10.069284 -11.551127 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=257) -1 -25.987063 -13.591403 -12.666415 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=257) -1 -25.310384 -12.882022 -12.838534 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=257) -1 -25.701714 -13.812180 -11.730909 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=258) -1 -15.314875 -24.149202 -1.792577 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=258) -1 -14.667212 -23.407710 -1.928904 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=258) -1 -16.026740 -23.837349 -2.405572 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=259) -1 -22.590837 -14.474229 -10.469417 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=259) -1 -23.550469 -14.265620 -10.456619 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=259) -1 -22.281848 -13.866785 -11.166167 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=260) -1 -23.489226 -22.990835 0.315040 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=260) -1 -23.270639 -23.807062 -0.194587 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=260) -1 -24.182206 -22.621975 -0.302040 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=261) -1 -22.022824 -10.762151 -11.000107 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=261) -1 -21.143723 -10.406224 -10.744969 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=261) -1 -21.745168 -11.582108 -11.461739 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=262) -1 -26.496248 -12.224041 -9.077076 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=262) -1 -26.033157 -12.855966 -9.694853 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=262) -1 -26.309606 -12.697303 -8.235562 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=263) -1 -28.627890 -14.005536 -12.569132 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=263) -1 -27.647382 -13.849915 -12.585567 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=263) -1 -28.939482 -13.126753 -12.837721 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=264) -1 -19.022948 -12.018087 -13.214755 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=264) -1 -18.609914 -11.119085 -13.264739 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=264) -1 -18.369692 -12.436458 -12.586109 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=266) -1 -29.229848 -12.515352 -8.748832 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=266) -1 -28.340126 -12.177729 -9.002619 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=266) -1 -29.020151 -13.476137 -8.681212 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=267) -1 -30.299273 -15.001691 -6.426501 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=267) -1 -31.103408 -14.697143 -6.914000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=267) -1 -29.667515 -15.010562 -7.191473 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=269) -1 -18.858670 -15.899501 8.141038 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=269) -1 -19.470923 -16.621441 7.946148 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=269) -1 -19.059035 -15.267717 7.425091 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=270) -1 6.997014 -3.341152 -13.002159 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=270) -1 7.473386 -3.438804 -12.146239 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=270) -1 6.975326 -4.286062 -13.281409 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=271) -1 -20.152885 -17.877479 4.492886 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=271) -1 -21.119806 -17.760523 4.484292 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=271) -1 -19.935739 -17.711527 3.551764 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=272) -1 30.758372 10.689742 -4.678100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=272) -1 30.429430 11.085339 -5.525260 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=272) -1 29.916240 10.724904 -4.165044 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=273) -1 -17.581283 -16.232064 -15.627283 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=273) -1 -17.405332 -16.080889 -16.569039 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=273) -1 -18.012300 -15.363550 -15.397991 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=274) -1 24.478732 -5.685877 -14.370609 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=274) -1 24.417591 -6.499110 -13.817028 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=274) -1 23.549912 -5.383100 -14.328961 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=275) -1 -11.627440 27.644198 2.905831 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=275) -1 -10.897847 27.014715 2.715366 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=275) -1 -11.551023 27.696697 3.885625 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=276) -1 19.837595 -17.216029 -1.431669 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=276) -1 18.963322 -16.989553 -1.005849 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=276) -1 20.430205 -16.943828 -0.703147 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=277) -1 -0.551755 -14.941483 -9.627998 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=277) -1 -0.398625 -15.095499 -8.657912 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=277) -1 0.271278 -14.482905 -9.853845 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=278) -1 -28.143233 -9.285710 -6.673907 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=278) -1 -27.456544 -9.309822 -7.372268 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=278) -1 -28.158292 -8.318299 -6.483469 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=279) -1 24.388254 -10.957126 -18.254317 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=279) -1 23.706901 -10.250012 -18.159827 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=279) -1 23.857354 -11.725010 -17.920340 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=280) -1 19.389841 7.191897 -16.376745 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=280) -1 19.491291 8.181874 -16.416217 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=280) -1 19.519338 6.975105 -17.313115 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=281) -1 1.831429 -1.528382 -8.435844 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=281) -1 2.783139 -1.332776 -8.247854 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=281) -1 1.461991 -0.618443 -8.308905 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=282) -1 -21.918238 -2.660754 -16.352374 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=282) -1 -22.535581 -3.067305 -15.685883 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=282) -1 -22.301760 -3.008584 -17.170041 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=283) -1 -22.728951 23.983002 -3.707120 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=283) -1 -22.373860 23.921690 -4.618569 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=283) -1 -23.682494 23.827120 -3.881387 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=284) -1 -7.211535 -18.167859 12.059014 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=284) -1 -8.202647 -18.194773 12.072954 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=284) -1 -7.077354 -17.229506 12.330228 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=285) -1 -21.522502 22.662644 11.039915 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=285) -1 -21.349079 21.985687 10.343001 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=285) -1 -22.173014 22.200131 11.583841 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=286) -1 3.082534 8.698691 7.251519 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=286) -1 3.310613 8.234045 8.071605 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=286) -1 3.537809 8.119918 6.591168 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=287) -1 22.391133 11.706736 -4.641422 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=287) -1 22.607655 11.323058 -3.755298 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=287) -1 22.292378 12.652109 -4.378051 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=288) -1 -13.503264 24.334550 -15.737721 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=288) -1 -13.057931 23.811374 -16.419258 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=288) -1 -14.406618 24.416436 -16.126131 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=289) -1 -14.047831 17.746084 3.075911 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=289) -1 -14.799764 17.366301 3.595144 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=289) -1 -13.439480 17.968410 3.820256 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=291) -1 12.160998 19.329860 15.427716 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=291) -1 12.804297 19.105137 14.713528 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=291) -1 11.731036 18.476589 15.556689 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=292) -1 26.459885 0.304758 -11.687168 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=292) -1 27.157124 0.956252 -11.912929 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=292) -1 25.709777 0.664021 -12.212743 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=293) -1 -13.741355 7.527046 -11.619263 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=293) -1 -13.261098 6.901462 -12.210523 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=293) -1 -13.111781 7.540767 -10.856742 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=294) -1 -20.262697 -5.536095 17.020945 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=294) -1 -20.323996 -5.629595 16.037882 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=294) -1 -19.429457 -6.040517 17.170951 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=295) -1 -10.328896 15.506559 -6.149601 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=295) -1 -11.010280 15.127395 -6.763897 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=295) -1 -9.817901 14.674077 -5.977323 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=296) -1 -21.955692 3.005535 -10.180318 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=296) -1 -21.199954 3.176475 -10.796944 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=296) -1 -21.473009 2.552180 -9.454130 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=297) -1 -12.225295 9.706937 13.868248 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=297) -1 -12.873019 8.974566 13.994381 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=297) -1 -11.392615 9.180520 13.824821 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=298) -1 36.077149 -1.550028 9.032925 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=298) -1 35.950220 -1.664278 8.048890 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=298) -1 36.876559 -2.086135 9.152804 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=299) -1 19.373317 12.615042 -12.623099 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=299) -1 19.215302 13.306458 -13.285008 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=299) -1 19.211317 11.806795 -13.168041 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=301) -1 25.279933 -9.052106 -15.097242 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=301) -1 24.784405 -8.658901 -14.332074 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=301) -1 24.973648 -8.431946 -15.802729 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=302) -1 -8.688449 4.737091 15.651916 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=302) -1 -8.023785 4.494409 14.960435 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=302) -1 -9.367590 5.156342 15.067459 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=303) -1 17.476931 2.149847 -24.044316 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=303) -1 17.700028 1.624058 -23.254892 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=303) -1 16.558326 2.412619 -23.837036 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=304) -1 -19.334230 14.109736 13.656302 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=304) -1 -19.786193 14.279351 12.785435 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=304) -1 -20.028702 14.403506 14.263997 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=305) -1 -17.867169 2.251176 11.643267 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=305) -1 -18.590556 2.898451 11.593095 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=305) -1 -17.090103 2.843198 11.702552 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=306) -1 7.855297 -3.726912 4.592951 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=306) -1 8.684731 -3.809108 4.076664 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=306) -1 7.223815 -3.567706 3.850604 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=307) -1 5.541004 -10.525142 10.617190 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=307) -1 5.034369 -9.678910 10.637781 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=307) -1 6.346749 -10.197412 10.134405 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=308) -1 12.600107 13.096678 -12.623980 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=308) -1 12.557128 12.383392 -13.301601 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=308) -1 13.549344 13.126920 -12.447382 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=309) -1 -9.932238 19.564745 -10.973199 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=309) -1 -10.121344 19.087931 -11.817587 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=309) -1 -9.881743 18.785936 -10.365426 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=310) -1 -9.526631 -0.476985 11.692204 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=310) -1 -9.876239 -1.087323 12.371712 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=310) -1 -8.719583 -0.149983 12.149810 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=311) -1 24.289437 14.434984 -8.441992 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=311) -1 23.937919 15.282587 -8.816862 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=311) -1 23.919866 14.537623 -7.521529 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=312) -1 -10.955439 14.897174 -0.046214 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=312) -1 -11.609713 15.507902 0.383378 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=312) -1 -11.568289 14.129546 -0.196036 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=313) -1 1.485711 -3.532121 14.500798 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=313) -1 1.677376 -4.100793 15.281433 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=313) -1 2.388373 -3.178932 14.330490 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=314) -1 -26.732024 -6.915953 -8.772193 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=314) -1 -27.171180 -6.816152 -7.902380 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=314) -1 -26.508110 -7.868823 -8.750371 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=315) -1 -18.605640 15.174119 -1.718208 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=315) -1 -18.890239 14.287420 -2.058576 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=315) -1 -18.260330 15.548768 -2.565032 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=316) -1 19.100179 -19.505436 -2.661255 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=316) -1 19.395134 -18.679525 -2.207851 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=316) -1 19.769084 -20.131120 -2.351037 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=317) -1 -21.818438 -15.823003 6.988281 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=317) -1 -21.107553 -15.236839 6.664400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=317) -1 -22.059786 -15.396034 7.821690 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=318) -1 -12.330598 5.899596 12.039968 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=318) -1 -12.033829 6.699829 11.538325 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=318) -1 -13.026745 5.573212 11.406917 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=319) -1 29.644754 11.825247 -6.946946 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=319) -1 30.457711 11.812016 -7.513304 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=319) -1 28.985351 11.538977 -7.622960 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=320) -1 -16.805766 27.024110 3.655141 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=320) -1 -16.744813 26.058387 3.515519 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=320) -1 -15.876592 27.238692 3.877856 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=321) -1 -19.009018 29.882251 -2.792976 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=321) -1 -18.834207 30.112190 -3.734875 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=321) -1 -19.178624 30.757374 -2.419360 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=322) -1 23.419786 5.283127 -14.945241 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=322) -1 23.993605 4.502468 -14.691570 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=322) -1 22.556630 4.920290 -14.635390 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=323) -1 23.940900 -15.119094 -15.605287 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=323) -1 23.022388 -15.173914 -15.238159 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=323) -1 24.106412 -16.054104 -15.795843 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=324) -1 15.651007 8.603122 -14.682686 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=324) -1 15.824351 9.017156 -13.817149 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=324) -1 14.891394 8.012192 -14.444860 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=325) -1 -28.130025 -13.865594 0.775910 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=325) -1 -27.855428 -12.970084 1.096512 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=325) -1 -29.113442 -13.744323 0.819503 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=326) -1 12.773716 13.909635 -7.319187 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=326) -1 11.840516 13.978887 -6.990295 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=326) -1 12.653037 13.106440 -7.897713 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=327) -1 -25.625197 3.124452 -2.390384 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=327) -1 -26.158642 2.437075 -1.930766 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=327) -1 -26.214660 3.312002 -3.152175 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=328) -1 15.291332 15.294539 -6.961594 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=328) -1 15.789072 14.960512 -6.183868 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=328) -1 14.584474 14.625963 -7.028820 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=329) -1 2.938283 -2.988996 -4.488228 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=329) -1 3.718629 -3.102220 -5.096260 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=329) -1 3.072489 -2.032748 -4.268544 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=330) -1 12.288801 16.416749 -8.409232 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=330) -1 12.659756 15.605018 -8.008103 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=330) -1 12.826502 17.098352 -7.950274 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=331) -1 -4.807083 11.912782 16.712500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=331) -1 -5.233056 11.188575 16.194375 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=331) -1 -4.047204 11.446238 17.083971 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=332) -1 -2.101355 -16.124115 -4.041556 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=332) -1 -3.052768 -16.360945 -4.028156 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=332) -1 -1.813628 -16.650708 -4.825642 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=333) -1 1.496724 -10.455457 14.133242 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=333) -1 1.541008 -11.436089 14.147128 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=333) -1 2.408609 -10.229169 13.905924 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=334) -1 -23.096031 8.689988 6.637014 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=334) -1 -23.166753 7.943439 7.255003 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=334) -1 -22.234897 8.453720 6.193683 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=335) -1 3.584146 6.042540 -2.596014 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=335) -1 4.474504 6.424077 -2.801325 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=335) -1 3.848751 5.103289 -2.464409 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=336) -1 32.609150 9.625682 0.415441 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=336) -1 31.852538 10.046473 0.840295 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=336) -1 32.448425 9.834835 -0.527650 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=337) -1 -13.825337 32.907706 -1.657027 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=337) -1 -13.624297 33.739521 -1.205770 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=337) -1 -13.968529 32.313926 -0.877832 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=338) -1 7.786259 11.280972 -8.363617 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=338) -1 8.701562 11.641596 -8.325283 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=338) -1 7.502130 11.659832 -9.223718 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=339) -1 8.499450 -1.501455 -14.298197 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=339) -1 8.908322 -1.307421 -13.421111 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=339) -1 7.875971 -2.217010 -14.020659 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=340) -1 14.920171 17.772560 -4.136678 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=340) -1 15.809441 17.436541 -3.898313 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=340) -1 14.360942 17.111711 -3.657668 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=341) -1 10.178047 13.887890 -6.623878 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=341) -1 10.104406 13.312535 -7.426788 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=341) -1 9.221002 14.068742 -6.474796 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=342) -1 -23.317358 15.198440 3.919614 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=342) -1 -23.603770 14.445360 4.490139 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=342) -1 -22.827330 14.681438 3.225848 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=343) -1 -1.136361 -4.758961 19.240182 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=343) -1 -1.876242 -5.080362 19.793143 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=343) -1 -1.077158 -3.831687 19.554114 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=344) -1 -7.356497 21.358889 4.895772 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=344) -1 -8.067630 20.715934 4.648959 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=344) -1 -7.555259 21.443506 5.858020 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=345) -1 -13.306547 -25.928830 -2.276436 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=345) -1 -14.078225 -25.314564 -2.208998 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=345) -1 -13.645125 -26.657120 -1.702581 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=346) -1 -10.042558 -15.638346 18.106509 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=346) -1 -9.823122 -15.714350 17.135015 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=346) -1 -10.785726 -16.289062 18.126262 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=347) -1 27.438594 6.479807 -10.223955 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=347) -1 27.631477 7.430673 -10.091821 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=347) -1 27.379963 6.447941 -11.200668 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=348) -1 -16.025036 -20.803131 4.064749 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=348) -1 -15.503076 -20.722990 4.891998 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=348) -1 -16.898899 -20.492298 4.380819 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=349) -1 14.861102 0.531620 -21.605114 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=349) -1 14.665185 1.282217 -22.197626 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=349) -1 13.986438 0.361752 -21.210890 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=350) -1 21.341522 1.402965 12.840148 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=350) -1 21.883005 2.224940 12.895025 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=350) -1 21.866952 0.821536 13.435685 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=351) -1 24.233648 -15.888068 -10.984978 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=351) -1 23.476012 -16.282137 -11.476481 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=351) -1 24.135106 -14.951554 -11.240867 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=352) -1 -10.442774 4.104934 21.324846 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=352) -1 -9.657578 3.516417 21.238809 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=352) -1 -10.055504 4.859764 21.790265 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=353) -1 3.415877 -13.772464 -3.398232 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=353) -1 4.272001 -13.456030 -3.026536 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=353) -1 2.822747 -13.555769 -2.644079 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=354) -1 -12.408792 3.977344 -15.226492 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=354) -1 -12.855714 3.880244 -16.079954 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=354) -1 -12.244897 3.032085 -14.997973 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=355) -1 -20.011547 -5.823260 14.316492 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=355) -1 -19.026375 -5.767457 14.342462 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=355) -1 -20.176467 -5.128359 13.618241 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=356) -1 -27.382081 -27.779322 -3.191732 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=356) -1 -27.508385 -27.522173 -2.258677 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=356) -1 -26.549230 -27.307603 -3.393312 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=357) -1 -12.445127 -25.093485 1.250250 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=357) -1 -13.416582 -25.090903 1.089437 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=357) -1 -12.369021 -25.795009 1.911817 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=358) -1 -7.935434 -6.156370 20.662061 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=358) -1 -7.199961 -6.759478 20.896519 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=358) -1 -7.743704 -5.410196 21.276393 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=359) -1 -7.281070 16.629170 -0.751811 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=359) -1 -7.399619 16.061313 0.045311 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=359) -1 -7.926754 16.181417 -1.351552 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=360) -1 -11.985319 29.899357 -6.580035 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=360) -1 -11.808216 29.105814 -7.147219 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=360) -1 -11.240520 29.762440 -5.931272 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=361) -1 -4.950529 -16.391388 -4.363228 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=361) -1 -4.878550 -15.590072 -3.792046 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=361) -1 -5.743054 -16.807125 -3.939033 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=362) -1 13.964382 15.039408 6.314360 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=362) -1 13.892002 15.955104 5.965420 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=362) -1 14.853672 14.799626 5.988982 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=363) -1 7.806322 -3.200404 -17.403662 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=363) -1 7.938620 -3.839641 -16.653484 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=363) -1 7.403990 -3.792534 -18.056907 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=364) -1 -22.390814 -1.086454 -12.789043 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=364) -1 -22.762598 -0.239406 -12.435547 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=364) -1 -23.161725 -1.678593 -12.598953 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=365) -1 33.831459 -5.776560 4.012505 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=365) -1 32.914366 -5.417040 4.052139 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=365) -1 33.993254 -5.658141 3.042077 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=366) -1 -24.050909 6.805373 -3.405670 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=366) -1 -24.884543 6.501376 -3.823777 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=366) -1 -23.920758 6.087930 -2.744407 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=367) -1 7.681320 15.016809 -8.771772 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=367) -1 8.534586 15.402901 -9.067586 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=367) -1 7.560409 14.334389 -9.467919 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=368) -1 -14.626436 -27.334841 -0.308461 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=368) -1 -15.385222 -27.893300 -0.107741 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=368) -1 -14.862967 -26.504811 0.158999 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=369) -1 -3.881767 -5.800986 -13.237844 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=369) -1 -3.988203 -6.665596 -13.654979 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=369) -1 -4.808081 -5.474354 -13.233718 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=370) -1 -0.676343 6.441085 -7.508315 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=370) -1 -0.172924 6.395864 -8.338297 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=370) -1 0.066699 6.309263 -6.858461 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=371) -1 -23.388413 -3.791674 -14.475328 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=371) -1 -22.733371 -4.268683 -13.917991 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=371) -1 -23.951625 -3.403176 -13.769297 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=372) -1 32.523782 -4.308414 15.088358 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=372) -1 32.777603 -3.832293 14.270859 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=372) -1 31.643356 -3.913281 15.251650 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=374) -1 6.311683 -12.979836 11.582583 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=374) -1 5.514311 -13.153940 12.129023 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=374) -1 6.197047 -12.016738 11.423456 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=375) -1 10.519713 13.296076 1.305930 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=375) -1 11.281186 13.855146 1.607907 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=375) -1 9.787679 13.915974 1.448848 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=376) -1 17.948077 12.577022 12.861448 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=376) -1 17.200728 12.510787 12.209340 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=376) -1 18.361229 11.698135 12.699740 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=377) -1 -30.346542 -15.159548 -10.758906 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=377) -1 -29.712613 -15.164099 -10.008294 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=377) -1 -29.786174 -14.735391 -11.447728 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=378) -1 -8.973594 -18.377204 -4.930097 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=378) -1 -9.634433 -17.713959 -5.224092 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=378) -1 -9.266533 -19.154528 -5.459582 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=379) -1 -19.389475 12.975788 -3.103162 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=379) -1 -19.802950 12.088116 -3.220998 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=379) -1 -18.590220 12.855061 -3.669444 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=380) -1 3.440359 3.579504 -6.904540 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=380) -1 3.736214 2.708187 -6.588374 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=380) -1 2.576316 3.652680 -6.421797 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=381) -1 -12.686532 19.012405 9.826855 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=381) -1 -12.994582 19.781216 9.298051 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=381) -1 -13.535114 18.795857 10.297391 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=382) -1 34.390191 -4.363927 -4.089078 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=382) -1 34.104702 -5.299668 -3.984504 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=382) -1 34.012343 -4.148008 -4.950252 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=383) -1 -12.978702 -5.643454 -12.464759 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=383) -1 -13.264431 -6.287499 -13.152033 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=383) -1 -13.858601 -5.382527 -12.114218 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=384) -1 -6.047938 -8.093895 21.320354 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=384) -1 -5.983433 -8.213152 22.283129 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=384) -1 -5.110008 -7.806405 21.134455 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=385) -1 13.766404 18.303075 13.507645 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=385) -1 13.590821 17.372659 13.203409 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=385) -1 14.569094 18.493362 13.002359 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=386) -1 35.848850 -0.724120 -1.091926 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=386) -1 35.206976 -0.264328 -1.681274 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=386) -1 36.010329 -1.532885 -1.639542 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=387) -1 -17.103999 17.743278 9.624551 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=387) -1 -17.092614 17.477844 8.683811 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=387) -1 -18.064200 17.940750 9.735245 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=388) -1 -19.833768 24.661747 10.431304 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=388) -1 -20.471847 23.935060 10.639374 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=388) -1 -19.907016 25.197608 11.231002 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=389) -1 14.828152 9.881654 14.388749 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=389) -1 15.360705 9.740859 13.568026 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=389) -1 15.286410 10.689972 14.729675 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=390) -1 -19.741184 -4.414364 -10.616979 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=390) -1 -20.272401 -4.430326 -9.786648 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=390) -1 -19.802600 -3.451840 -10.825236 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=391) -1 1.816751 10.865127 0.157382 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=391) -1 2.701628 10.471976 -0.079477 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=391) -1 1.589390 10.256519 0.903358 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=392) -1 -2.936504 7.211369 17.798891 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=392) -1 -2.143484 7.753060 17.938210 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=392) -1 -2.520437 6.436476 17.322556 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=393) -1 -10.635660 1.113929 19.775162 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=393) -1 -10.904552 1.855932 19.192518 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=393) -1 -11.034439 0.360470 19.267044 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=394) -1 -9.976323 28.978579 -13.814970 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=394) -1 -9.448011 29.783577 -13.884967 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=394) -1 -10.828948 29.339219 -13.481665 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=395) -1 -32.304889 -21.309644 -2.514453 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=395) -1 -31.809915 -21.180925 -1.674016 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=395) -1 -32.018393 -22.229285 -2.728776 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=396) -1 19.574869 -3.742556 -17.959658 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=396) -1 18.863845 -4.419854 -18.082612 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=396) -1 19.409937 -3.503263 -17.023590 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=397) -1 -1.346153 -7.774443 16.902822 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=397) -1 -2.316147 -7.609816 17.008910 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=397) -1 -1.365735 -8.593457 16.367147 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=398) -1 9.341722 6.376794 7.053992 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=398) -1 8.870769 6.089405 7.882577 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=398) -1 9.421703 7.326240 7.231565 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=399) -1 -4.652887 -14.218051 -12.306202 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=399) -1 -5.421719 -13.840012 -12.801149 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=399) -1 -4.651147 -15.125587 -12.676722 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=400) -1 -23.568093 2.015314 3.177972 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=400) -1 -23.702293 1.117626 2.796495 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=400) -1 -23.308424 1.758032 4.098782 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=401) -1 -13.677845 -15.147424 16.554132 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=401) -1 -14.644072 -15.206298 16.609679 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=401) -1 -13.479897 -14.741145 17.439656 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=402) -1 26.692836 4.554441 -5.824185 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=402) -1 27.300865 4.680785 -6.602897 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=402) -1 25.857956 4.399483 -6.332512 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=403) -1 -2.743220 -0.994381 22.695914 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=403) -1 -2.232102 -0.791680 23.495159 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=403) -1 -3.307925 -0.172960 22.648958 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=404) -1 -30.807030 -13.792050 0.592477 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=404) -1 -31.046812 -13.412535 -0.280906 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=404) -1 -31.365483 -14.595029 0.595705 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=405) -1 -0.168471 -15.314067 2.263409 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=405) -1 -0.359249 -15.437622 3.220369 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=405) -1 -0.987120 -14.837252 1.989839 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=406) -1 -21.769698 21.313183 5.245095 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=406) -1 -21.816639 20.563415 5.877262 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=406) -1 -21.626659 20.821417 4.405166 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=407) -1 -14.342019 -16.919171 10.639084 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=407) -1 -15.065046 -16.524234 10.101893 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=407) -1 -14.176112 -16.153261 11.253229 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=408) -1 12.089327 5.059709 -19.853877 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=408) -1 12.516862 4.790976 -19.010066 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=408) -1 11.898909 4.173422 -20.231097 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=409) -1 6.936330 -5.875905 0.691738 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=409) -1 7.479502 -6.555685 0.208407 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=409) -1 6.555627 -5.426640 -0.110694 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=410) -1 18.020639 19.563201 1.729316 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=410) -1 17.398493 19.673670 0.962164 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=410) -1 18.340223 18.645218 1.503046 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=411) -1 10.135836 -2.143008 -16.406540 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=411) -1 9.609960 -1.848529 -15.622296 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=411) -1 9.402589 -2.530049 -16.941551 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=412) -1 8.050310 -7.515939 -7.720366 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=412) -1 9.012856 -7.320646 -7.826392 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=412) -1 7.962057 -7.364659 -6.750919 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=413) -1 -26.092532 2.945013 3.650818 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=413) -1 -26.196966 2.322160 4.413220 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=413) -1 -25.172257 2.703029 3.387445 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=414) -1 11.280520 4.790277 10.582799 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=414) -1 11.593267 5.101390 9.708417 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=414) -1 11.886782 5.279827 11.175646 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=415) -1 23.026328 14.978321 -6.144737 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=415) -1 22.176995 15.448724 -6.301805 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=415) -1 22.898566 14.702955 -5.213737 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=416) -1 -22.994855 -24.741227 -1.750340 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=416) -1 -23.340979 -23.930624 -2.202630 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=416) -1 -22.111378 -24.792476 -2.158514 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=417) -1 19.664973 -18.772204 -15.054108 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=417) -1 18.720875 -18.849771 -15.313907 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=417) -1 19.818891 -17.842399 -15.384604 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=418) -1 24.508217 18.786637 -12.910808 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=418) -1 24.504905 17.849029 -12.604049 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=418) -1 23.890365 19.182691 -12.284993 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=419) -1 -21.916962 -6.982707 -9.672994 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=419) -1 -20.995090 -7.178530 -9.959731 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=419) -1 -21.742332 -6.238905 -9.057929 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=420) -1 14.961447 14.740293 3.180479 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=420) -1 15.572474 14.340360 3.826975 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=420) -1 15.433974 15.586511 2.995748 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=421) -1 5.576955 -12.704767 -2.051767 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=421) -1 6.520582 -12.812072 -1.811834 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=421) -1 5.407447 -11.797215 -1.751500 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=422) -1 -15.551213 5.660911 -10.697290 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=422) -1 -15.067563 6.487201 -10.917152 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=422) -1 -15.585211 5.249689 -11.591633 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=423) -1 -4.398048 -17.578377 -6.705308 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=423) -1 -4.604633 -17.041470 -5.895772 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=423) -1 -5.107727 -18.240803 -6.646843 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=424) -1 -8.392777 29.276199 -2.959185 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=424) -1 -7.596814 28.803974 -2.616856 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=424) -1 -8.914264 29.353088 -2.138794 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=425) -1 -7.231343 23.668814 -10.935637 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=425) -1 -6.609922 22.974979 -10.602784 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=425) -1 -7.178686 24.294657 -10.173917 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=426) -1 32.011526 10.128682 -2.241472 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=426) -1 31.742610 10.284695 -3.175292 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=426) -1 32.542210 9.303150 -2.364481 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=427) -1 -9.220251 -16.694978 -12.349321 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=427) -1 -8.314252 -16.626350 -11.973952 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=427) -1 -9.619432 -15.876335 -11.991762 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=428) -1 23.572406 -0.409705 -11.105206 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=428) -1 23.996184 0.108449 -10.383378 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=428) -1 23.718704 0.227613 -11.850281 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=429) -1 -16.515404 -1.674677 18.050532 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=429) -1 -17.050990 -1.315059 17.325883 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=429) -1 -16.991122 -2.528889 18.207270 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=430) -1 -24.764692 -2.649384 0.535275 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=430) -1 -24.487586 -3.374514 1.135162 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=430) -1 -24.199690 -2.862174 -0.251299 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=431) -1 12.928746 -18.663273 0.536599 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=431) -1 12.901425 -17.742124 0.901270 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=431) -1 13.876226 -18.675795 0.249773 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=432) -1 -19.737503 18.402558 9.658054 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=432) -1 -20.133394 19.291898 9.759129 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=432) -1 -20.547821 17.861249 9.561328 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=433) -1 17.450708 1.116174 -21.382618 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=433) -1 17.268730 2.043844 -21.120986 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=433) -1 16.520496 0.789951 -21.479285 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=434) -1 -20.499479 6.806963 -4.755139 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=434) -1 -21.354033 6.677228 -5.247405 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=434) -1 -20.287093 5.838242 -4.616334 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=435) -1 -7.470609 25.645120 -12.815102 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=435) -1 -7.399234 24.843611 -12.243429 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=435) -1 -6.622540 25.604121 -13.283391 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=436) -1 8.405625 -8.721249 -10.122016 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=436) -1 8.158203 -8.485349 -9.196955 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=436) -1 9.208912 -9.258741 -9.941063 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=437) -1 -5.714641 -1.372158 -10.786167 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=437) -1 -6.095817 -0.977054 -11.602345 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=437) -1 -5.334845 -0.556820 -10.379528 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=438) -1 21.538830 9.525127 11.193999 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=438) -1 21.932701 10.431278 11.142584 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=438) -1 22.128933 9.077622 10.532875 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=439) -1 24.140756 16.387475 -11.693490 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=439) -1 23.613278 16.494189 -10.868432 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=439) -1 24.186565 15.412637 -11.739452 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=440) -1 -17.283764 13.424804 -8.280468 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=440) -1 -18.078644 13.959656 -8.066357 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=440) -1 -17.574073 12.549563 -7.941762 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=441) -1 11.268983 14.739775 -4.146823 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=441) -1 10.895501 13.886971 -3.842291 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=441) -1 10.898254 14.774013 -5.052786 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=442) -1 5.880313 -6.685103 -9.138837 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=442) -1 6.633686 -7.053351 -8.616250 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=442) -1 5.815791 -5.798968 -8.698361 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=443) -1 -12.757597 -9.427434 -14.994863 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=443) -1 -12.094757 -9.821382 -14.382446 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=443) -1 -12.844725 -10.133194 -15.648863 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=444) -1 12.220195 -20.265822 -3.356109 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=444) -1 11.676596 -19.852499 -2.651877 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=444) -1 12.935830 -20.660136 -2.805940 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=445) -1 15.981249 -12.755185 9.771848 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=445) -1 16.926860 -12.480797 9.897123 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=445) -1 16.133919 -13.730219 9.686099 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=446) -1 -20.858920 -8.218196 10.845196 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=446) -1 -21.528400 -7.525120 11.064153 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=446) -1 -20.480434 -7.806265 10.029717 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=447) -1 -14.987129 14.990552 -5.546484 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=447) -1 -14.824380 14.069347 -5.238775 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=447) -1 -14.940630 14.845948 -6.518994 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=448) -1 30.538968 7.421710 11.835079 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=448) -1 31.441313 7.163127 12.173583 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=448) -1 30.106172 6.538501 11.906734 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=449) -1 9.555845 -6.417408 3.337086 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=449) -1 9.526532 -5.550963 2.870822 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=449) -1 10.291507 -6.243829 3.963621 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=450) -1 -9.364576 15.606548 -2.128517 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=450) -1 -9.801464 14.989936 -2.774272 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=450) -1 -9.904815 15.361004 -1.330146 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=451) -1 -17.718945 26.862430 -4.351743 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=451) -1 -17.827551 27.430738 -5.158858 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=451) -1 -17.940447 25.988086 -4.784503 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=452) -1 -14.718322 12.416080 -4.719111 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=452) -1 -14.194111 12.521277 -3.876655 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=452) -1 -14.320062 11.565736 -5.019771 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=453) -1 21.700373 -7.780811 -14.493552 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=453) -1 22.542106 -7.974798 -13.997338 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=453) -1 21.724903 -6.792454 -14.424310 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=454) -1 -11.291193 5.337890 -8.288997 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=454) -1 -10.602568 4.783299 -8.707829 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=454) -1 -12.098369 4.830196 -8.529914 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=455) -1 23.607393 -5.188569 -18.471852 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=455) -1 22.927271 -4.845204 -19.108405 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=455) -1 23.622268 -4.407907 -17.857635 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=456) -1 -7.130121 20.956562 0.362831 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=456) -1 -6.839269 21.243057 1.256115 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=456) -1 -8.106571 20.922520 0.510377 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=457) -1 -7.009491 5.215733 -9.284257 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=457) -1 -7.920656 4.992915 -9.612082 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=457) -1 -6.498552 4.616452 -9.892458 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=458) -1 -20.440506 14.732682 -4.839806 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=458) -1 -19.679462 15.351792 -4.699488 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=458) -1 -20.194118 14.062531 -4.147141 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=459) -1 -17.555215 28.825065 1.858733 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=459) -1 -18.429840 28.517091 1.535986 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=459) -1 -17.417308 28.169712 2.590658 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=460) -1 -11.901418 -0.682135 18.276878 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=460) -1 -12.867835 -0.512189 18.279825 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=460) -1 -11.866997 -1.605436 17.990516 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=461) -1 -26.963388 0.851738 -8.734587 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=461) -1 -27.206075 -0.084261 -8.515791 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=461) -1 -27.476756 0.970478 -9.552175 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=462) -1 12.864384 17.381660 2.955849 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=462) -1 13.430307 18.012048 2.453792 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=462) -1 13.264215 17.470129 3.846675 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=463) -1 -22.050715 23.586549 -6.417581 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=463) -1 -23.000063 23.311692 -6.490878 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=463) -1 -22.006311 24.195693 -7.189956 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=464) -1 8.259858 -13.218279 -1.320370 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=464) -1 9.014260 -12.773109 -0.879482 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=464) -1 8.760407 -13.701815 -2.031045 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=465) -1 -6.411944 -4.830810 -12.882295 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=465) -1 -6.861673 -4.048729 -13.282267 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=465) -1 -6.139746 -4.437155 -12.020704 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=466) -1 -11.385841 21.646605 -11.927685 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=466) -1 -10.905534 20.975530 -11.379662 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=466) -1 -11.932696 21.027908 -12.470043 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=467) -1 27.112089 6.788082 -13.031179 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=467) -1 27.093916 6.696615 -14.018750 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=467) -1 26.495818 7.560189 -12.946945 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=468) -1 8.278788 -3.345505 -10.607529 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=468) -1 8.317486 -4.297773 -10.362330 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=468) -1 7.517734 -3.061320 -10.047300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=469) -1 11.716797 -15.699482 7.708731 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=469) -1 12.515133 -15.131910 7.694781 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=469) -1 12.026426 -16.446140 7.149793 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=470) -1 21.588825 11.754164 -16.404078 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=470) -1 22.274501 11.208126 -15.942716 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=470) -1 22.067401 12.585312 -16.511701 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=471) -1 -13.670110 26.830266 -9.258472 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=471) -1 -14.505471 27.177786 -8.860593 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=471) -1 -13.402466 27.599158 -9.793731 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=472) -1 4.397317 6.940696 5.654019 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=472) -1 5.369292 6.812793 5.781183 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=472) -1 4.169321 6.011058 5.390846 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=473) -1 -15.807208 20.984970 -0.296721 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=473) -1 -14.849271 20.819399 -0.497000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=473) -1 -16.197515 20.432831 -1.011388 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=474) -1 -9.903533 -1.202536 -14.231045 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=474) -1 -9.341347 -1.986603 -14.125195 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=474) -1 -10.771172 -1.531564 -13.941504 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=475) -1 -25.678054 -16.056929 -13.723604 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=475) -1 -25.785678 -15.136597 -13.388511 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=475) -1 -24.761698 -16.035358 -14.028497 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=476) -1 -12.743951 -22.474060 2.015768 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=476) -1 -12.337225 -21.863420 1.356274 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=476) -1 -12.457539 -23.337029 1.648817 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=477) -1 2.660265 2.889747 -12.100160 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=477) -1 2.931292 3.159526 -11.182083 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=477) -1 3.487900 3.139404 -12.574078 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=478) -1 10.640289 -7.295450 -8.497942 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=478) -1 10.862003 -8.186142 -8.833280 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=478) -1 11.141639 -6.729459 -9.114184 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=479) -1 10.984107 -18.754876 -1.402098 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=479) -1 11.710267 -18.814604 -0.736560 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=479) -1 10.303204 -18.302968 -0.846707 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=480) -1 -0.003719 -15.371906 -7.053649 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=480) -1 -0.562037 -16.083976 -6.683820 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=480) -1 0.451256 -15.062291 -6.238919 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=481) -1 6.028176 7.077388 -2.974625 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=481) -1 6.166366 7.688774 -2.213501 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=481) -1 6.930419 6.679836 -3.023838 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=482) -1 24.832477 6.811728 -16.696595 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=482) -1 24.266921 6.192355 -16.183174 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=482) -1 24.195449 7.498694 -16.930970 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=483) -1 -18.633928 24.839642 -17.290304 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=483) -1 -19.409742 24.627235 -17.820248 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=483) -1 -18.996848 24.811843 -16.381293 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=484) -1 -27.946271 -6.634369 -6.264380 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=484) -1 -28.307363 -5.780278 -6.625487 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=484) -1 -27.851709 -6.358455 -5.320997 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=485) -1 -27.796165 23.549607 0.044550 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=485) -1 -28.036083 23.649914 0.985944 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=485) -1 -28.385456 22.810925 -0.219531 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=486) -1 -16.048370 24.646947 -16.501600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=486) -1 -16.901839 24.711755 -16.998779 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=486) -1 -16.017413 25.578101 -16.150715 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=487) -1 -19.254350 -8.231752 13.008583 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=487) -1 -19.722478 -7.506033 13.471725 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=487) -1 -19.843890 -8.331799 12.221155 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=488) -1 -6.535619 26.818288 0.718436 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=488) -1 -6.735035 25.869308 0.905276 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=488) -1 -5.917793 27.016257 1.437112 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=489) -1 3.233482 -5.744037 -8.618566 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=489) -1 3.915624 -5.072792 -8.379859 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=489) -1 3.812646 -6.411002 -9.044649 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=490) -1 27.175055 2.370242 -9.375301 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=490) -1 27.510089 2.288600 -10.297181 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=490) -1 26.295196 1.953192 -9.473629 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=491) -1 -12.401026 18.691571 4.992393 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=491) -1 -11.824802 17.902832 5.167715 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=491) -1 -11.916127 19.343439 5.567012 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=492) -1 -12.259486 -24.278652 -4.345720 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=492) -1 -11.664538 -23.821781 -3.717834 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=492) -1 -12.610178 -24.991693 -3.775420 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=493) -1 1.389265 -13.208303 13.992127 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=493) -1 0.997409 -13.854250 14.625323 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=493) -1 0.607089 -13.089362 13.398251 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=494) -1 11.183237 -12.958516 6.017482 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=494) -1 11.933810 -13.411147 6.464673 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=494) -1 11.582432 -12.068893 5.895682 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=495) -1 13.513988 15.803051 -2.902517 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=495) -1 13.446188 15.329329 -2.051215 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=495) -1 12.695670 15.483760 -3.347366 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=496) -1 -17.274041 15.752252 0.672113 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=496) -1 -16.394498 15.307237 0.649764 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=496) -1 -17.541278 15.626079 -0.267341 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=497) -1 -16.892644 -7.399107 -11.462429 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=497) -1 -16.181958 -8.058992 -11.608396 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=497) -1 -16.379891 -6.567538 -11.581774 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=498) -1 27.668910 8.749286 -7.068075 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=498) -1 27.436201 8.911616 -6.131404 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=498) -1 27.024357 8.035054 -7.283783 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=499) -1 5.679326 -15.279829 6.958500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=499) -1 6.144899 -14.922216 7.752340 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=499) -1 6.454522 -15.700102 6.508847 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=500) -1 13.546400 15.832354 12.536751 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=500) -1 12.976295 15.475611 11.809029 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=500) -1 13.965542 14.985941 12.822174 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=501) -1 -24.452879 21.714759 4.317022 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=501) -1 -24.354890 20.737469 4.159192 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=501) -1 -23.618376 21.866092 4.814850 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=502) -1 28.404788 11.070547 -3.272675 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=502) -1 28.842814 11.529598 -2.522356 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=502) -1 28.132334 11.854840 -3.810878 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=503) -1 4.381669 -1.080021 -7.591214 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=503) -1 4.718087 -0.324661 -7.081568 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=503) -1 4.626878 -1.827567 -6.987896 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=504) -1 -23.362412 17.256812 5.648717 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=504) -1 -23.274221 16.539309 4.964111 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=504) -1 -23.645315 16.680350 6.407176 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=505) -1 27.534949 14.281900 10.941355 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=505) -1 27.690068 14.019120 10.006112 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=505) -1 28.015340 13.549373 11.394541 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=506) -1 -20.942933 10.902426 8.896681 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=506) -1 -20.574614 10.443913 9.693629 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=506) -1 -20.319903 10.544388 8.216573 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=507) -1 13.073323 -19.519846 -10.389035 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=507) -1 14.045817 -19.421207 -10.273935 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=507) -1 12.885783 -18.707151 -10.903344 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=508) -1 -27.688388 1.366451 -5.977908 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=508) -1 -27.648747 0.390569 -5.777561 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=508) -1 -27.483336 1.337123 -6.933139 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=509) -1 13.148181 -10.923386 5.892443 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=509) -1 13.493115 -10.961266 6.814561 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=509) -1 13.943278 -11.216520 5.401996 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=511) -1 22.763561 10.996235 2.408925 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=511) -1 21.881936 11.282594 2.729233 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=511) -1 23.139283 10.640211 3.248033 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=512) -1 32.360464 3.793212 12.770243 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=512) -1 33.084733 3.390988 12.239027 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=512) -1 32.076750 2.979611 13.273321 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=513) -1 -29.847500 -1.045131 -3.947170 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=513) -1 -29.142711 -1.216471 -4.610942 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=513) -1 -29.749448 -1.863059 -3.398537 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=514) -1 -15.325728 30.282147 2.718434 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=514) -1 -16.229610 29.958943 2.530851 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=514) -1 -15.000896 29.580564 3.314921 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=515) -1 27.970601 -9.870400 -14.799886 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=515) -1 27.670999 -10.684021 -15.242735 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=515) -1 27.148080 -9.342921 -14.813811 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=516) -1 13.680040 9.525375 -16.423698 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=516) -1 14.506569 9.308460 -15.947567 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=516) -1 13.340474 10.259740 -15.879220 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=517) -1 1.269004 11.860432 -2.310155 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=517) -1 0.545491 11.208817 -2.467966 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=517) -1 1.594428 11.524685 -1.442266 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=518) -1 -7.001393 -7.365869 -12.238480 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=518) -1 -6.420576 -7.304622 -11.448942 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=518) -1 -6.869566 -6.463475 -12.610173 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=519) -1 -3.443163 -19.429380 10.826413 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=519) -1 -3.352388 -18.492041 10.555891 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=519) -1 -4.336132 -19.627394 10.474545 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=520) -1 33.490143 -6.940097 -3.953684 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=520) -1 33.192499 -7.138954 -4.883058 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=520) -1 32.983880 -7.652567 -3.492062 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=521) -1 -21.668293 -21.018514 0.687758 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=521) -1 -22.270622 -21.787385 0.537815 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=521) -1 -21.040611 -21.165080 -0.060209 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=522) -1 32.344084 -9.049875 -2.664265 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=522) -1 32.829769 -8.924603 -1.812081 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=522) -1 32.629001 -9.944105 -2.902555 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=523) -1 -21.265172 9.733857 -8.239939 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=523) -1 -21.912578 9.000137 -8.379043 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=523) -1 -20.779317 9.376597 -7.464622 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=524) -1 -1.920366 11.302985 -0.570312 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=524) -1 -1.276588 12.009190 -0.350726 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=524) -1 -1.443006 10.855354 -1.305230 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=525) -1 -13.018043 16.249037 1.092752 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=525) -1 -13.794733 15.711476 0.833375 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=525) -1 -13.435037 16.825050 1.777341 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=526) -1 -12.596624 9.023710 2.142737 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=526) -1 -12.993831 9.887052 1.892212 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=526) -1 -12.506440 8.603205 1.268706 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=527) -1 -23.247307 3.491239 10.024578 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=527) -1 -23.938807 2.958616 9.557175 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=527) -1 -22.809382 3.900401 9.246440 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=528) -1 -7.016848 0.740193 22.395499 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=528) -1 -6.773505 0.096234 21.693957 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=528) -1 -7.516526 1.395321 21.857033 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=529) -1 10.065693 -13.412097 -6.339546 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=529) -1 10.338275 -14.161279 -6.924839 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=529) -1 9.281303 -13.822741 -5.911662 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=530) -1 35.055031 5.586720 11.260064 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=530) -1 34.814886 4.631985 11.213470 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=530) -1 35.545739 5.694049 10.436326 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=531) -1 -7.812787 6.993634 16.988932 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=531) -1 -8.090198 6.193486 16.498573 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=531) -1 -6.910632 7.126325 16.631257 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=532) -1 31.283185 2.142448 5.300985 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=532) -1 31.177393 1.926889 4.344688 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=532) -1 30.761533 2.972731 5.341294 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=533) -1 16.269158 -18.602106 -5.220860 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=533) -1 17.211310 -18.558041 -5.498362 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=533) -1 15.827700 -18.460990 -6.085650 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=534) -1 -6.656845 16.780701 15.989137 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=534) -1 -6.379935 15.831232 16.056864 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=534) -1 -5.845240 17.217956 16.286558 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=535) -1 -17.919006 15.647121 -4.354478 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=535) -1 -17.552314 14.758797 -4.581777 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=535) -1 -17.331222 16.207512 -4.909167 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=536) -1 -7.891442 25.355523 -2.276553 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=536) -1 -7.552445 24.470844 -1.998269 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=536) -1 -7.931574 25.212751 -3.250583 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=537) -1 -16.490003 21.819862 2.174092 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=537) -1 -15.741988 21.306037 2.586069 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=537) -1 -16.321040 21.542154 1.229750 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=538) -1 21.549011 18.883877 -8.672723 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=538) -1 21.288387 18.997936 -7.739383 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=538) -1 20.678370 18.639197 -9.063405 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=539) -1 10.305902 15.188601 -9.765594 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=539) -1 10.992911 15.765508 -9.346264 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=539) -1 10.497986 14.345142 -9.309969 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=540) -1 -27.062806 -21.414779 1.933464 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=540) -1 -26.164325 -21.562598 2.299791 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=540) -1 -27.148262 -22.218466 1.372535 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=541) -1 5.316831 -12.474372 3.819528 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=541) -1 5.795215 -11.606503 3.740404 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=541) -1 6.121401 -13.066069 3.810133 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=542) -1 -21.671470 20.073378 2.808519 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=542) -1 -22.535615 19.677967 3.062695 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=542) -1 -21.216637 19.260592 2.476304 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=543) -1 1.673263 -5.216779 16.599570 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=543) -1 1.561583 -5.762770 17.404504 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=543) -1 2.619601 -4.961214 16.689697 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=544) -1 18.243822 -6.328529 13.717931 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=544) -1 18.312635 -7.169335 14.199370 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=544) -1 19.129053 -6.318124 13.270362 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=545) -1 14.897834 -17.215765 -12.362951 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=545) -1 15.247220 -17.703579 -11.586400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=545) -1 14.015893 -16.958444 -12.020270 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=546) -1 16.261503 -17.714604 4.918950 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=546) -1 16.502579 -18.381190 4.262974 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=546) -1 15.471581 -17.308022 4.492172 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=547) -1 9.496399 -1.199209 -11.755449 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=547) -1 10.380068 -1.197241 -11.360939 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=547) -1 9.080118 -1.952009 -11.272591 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=548) -1 -16.212582 -16.239022 8.705699 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=548) -1 -15.931873 -15.566271 8.041532 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=548) -1 -17.189863 -16.109678 8.656384 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=549) -1 30.214936 6.833555 4.334357 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=549) -1 30.965543 7.186877 4.883380 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=549) -1 30.736114 6.552897 3.544272 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=550) -1 24.116032 8.152617 -5.531740 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=550) -1 23.573360 8.381298 -6.336234 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=550) -1 24.491870 9.062522 -5.378752 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=551) -1 23.479717 -14.592178 2.135353 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=551) -1 23.197844 -15.322255 2.727361 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=551) -1 22.833394 -14.717937 1.400905 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=552) -1 29.865722 6.465382 -14.727156 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=552) -1 29.733099 5.596048 -14.308647 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=552) -1 29.052523 6.531731 -15.269765 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=553) -1 34.237207 3.032058 10.859880 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=553) -1 34.673702 2.214625 10.510261 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=553) -1 33.565131 3.143042 10.133059 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=554) -1 -23.852845 15.365900 7.509324 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=554) -1 -24.007958 14.692136 6.797077 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=554) -1 -23.921260 14.740745 8.286938 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=555) -1 -18.040550 28.286708 -6.628891 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=555) -1 -18.830513 27.878558 -7.058023 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=555) -1 -18.429565 29.121592 -6.302424 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=556) -1 0.077026 1.891079 -11.725160 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=556) -1 0.866188 2.446785 -11.924455 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=556) -1 0.536782 1.049713 -11.488879 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=557) -1 -8.171216 21.452456 7.504338 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=557) -1 -8.956889 21.583052 8.084698 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=557) -1 -7.532962 21.099154 8.140224 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=558) -1 -16.073239 19.586763 -11.946307 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=558) -1 -15.383727 18.922242 -12.198950 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=558) -1 -16.764720 18.949896 -11.620990 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=559) -1 15.268205 -2.934330 13.084895 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=559) -1 15.281612 -2.813983 12.111296 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=559) -1 15.156244 -1.996746 13.366352 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=560) -1 -12.525085 32.583271 -6.941711 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=560) -1 -12.877292 32.760677 -6.046034 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=560) -1 -12.147268 31.687968 -6.802385 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=561) -1 -10.576369 -13.492906 19.617664 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=561) -1 -10.331481 -14.246546 19.027358 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=561) -1 -10.192376 -12.748269 19.099343 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=562) -1 26.507408 10.437547 12.372323 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=562) -1 25.845686 9.992103 12.917249 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=562) -1 25.943123 10.827132 11.666661 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=563) -1 -13.806825 32.189378 -11.939364 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=563) -1 -14.564827 31.611828 -12.229618 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=563) -1 -14.039724 33.009346 -12.400918 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=564) -1 18.530098 3.835008 10.635946 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=564) -1 19.398206 4.290884 10.666730 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=564) -1 18.840818 2.900410 10.603836 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=565) -1 -9.790758 26.327514 -14.154616 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=565) -1 -9.803242 27.316114 -14.078006 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=565) -1 -8.940445 26.148414 -13.690974 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=566) -1 -16.715024 1.204165 -13.992113 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=566) -1 -16.959595 1.363435 -14.937116 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=566) -1 -17.583168 1.462470 -13.579259 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=567) -1 -9.377893 1.395720 -14.012150 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=567) -1 -10.268810 1.655352 -14.331734 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=567) -1 -9.458227 0.412134 -14.128528 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=568) -1 15.937794 20.131308 -3.008122 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=568) -1 16.713538 20.110983 -3.616987 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=568) -1 15.373423 19.456610 -3.443973 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=569) -1 25.510897 -9.921065 -20.602135 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=569) -1 25.045660 -9.064981 -20.482319 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=569) -1 25.213978 -10.391702 -19.795953 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=570) -1 7.535744 -6.019265 -13.129628 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=570) -1 6.888288 -6.727836 -12.879735 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=570) -1 8.078362 -6.029225 -12.302372 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=571) -1 -21.633748 -4.031726 8.059714 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=571) -1 -22.165058 -4.837467 8.197181 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=571) -1 -21.121412 -4.037881 8.918181 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=572) -1 16.248291 -3.065663 -18.988375 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=572) -1 16.917902 -2.454430 -19.370554 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=572) -1 16.770977 -3.885826 -18.918712 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=573) -1 -26.702049 21.248206 2.696929 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=573) -1 -27.226454 22.060870 2.867600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=573) -1 -26.033366 21.320976 3.409406 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=574) -1 17.068061 -15.254561 9.282198 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=574) -1 17.025547 -15.652790 8.385081 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=574) -1 18.037356 -15.158124 9.377991 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=575) -1 27.830811 12.853960 -5.178916 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=575) -1 27.060292 12.894814 -5.786186 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=575) -1 28.538951 12.632291 -5.827039 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=576) -1 -19.199271 24.652737 -14.613057 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=576) -1 -18.381822 24.095290 -14.576965 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=576) -1 -19.696181 24.253209 -13.872360 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=577) -1 -18.790666 27.377791 -1.931763 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=577) -1 -18.547598 27.051667 -2.838626 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=577) -1 -18.975099 28.326793 -2.183490 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=578) -1 -25.864635 -4.724176 -10.032440 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=578) -1 -25.049870 -5.105141 -10.423961 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=578) -1 -26.239019 -5.537458 -9.609558 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=579) -1 -24.420134 -2.743269 -12.132742 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=579) -1 -25.259530 -2.450495 -11.702759 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=579) -1 -24.255363 -3.565802 -11.622098 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=580) -1 -15.641124 11.794486 4.978152 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=580) -1 -14.917206 11.894967 5.642009 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=580) -1 -15.191508 12.203523 4.200134 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=581) -1 3.917089 -14.540915 5.108376 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=581) -1 4.569423 -14.863648 5.787871 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=581) -1 4.519812 -13.948011 4.601129 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=582) -1 -13.032152 31.385176 -9.434607 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=582) -1 -13.282825 31.885988 -10.239311 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=582) -1 -12.776797 32.115136 -8.834817 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=583) -1 19.081543 17.770140 -9.128822 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=583) -1 18.123798 17.530773 -9.081502 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=583) -1 19.469517 16.858704 -9.089588 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=584) -1 4.563314 -9.958771 -1.113930 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=584) -1 5.304422 -9.894775 -0.460195 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=584) -1 4.694136 -9.095689 -1.577590 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=585) -1 -15.951060 11.763570 0.793916 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=585) -1 -14.995669 11.579310 0.985075 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=585) -1 -16.357621 11.128800 1.433374 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=586) -1 6.295738 -7.669242 2.650418 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=586) -1 6.390697 -7.222181 3.513851 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=586) -1 6.548243 -6.930105 2.046112 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=587) -1 -8.155921 -19.370495 8.015550 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=587) -1 -7.890566 -18.399874 7.961698 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=587) -1 -7.498771 -19.631511 8.711978 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=588) -1 -12.117569 28.978410 -10.195242 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=588) -1 -11.674727 28.636951 -9.387755 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=588) -1 -12.423304 29.856173 -9.849633 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=589) -1 10.087248 6.284112 -18.405117 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=589) -1 10.711848 5.960747 -19.093858 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=589) -1 10.717825 6.823869 -17.866517 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=590) -1 26.889841 9.196214 -4.464530 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=590) -1 27.441127 9.842743 -3.949449 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=590) -1 26.147921 9.808719 -4.706691 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=591) -1 7.278671 3.249423 -15.126717 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=591) -1 7.292812 2.305682 -15.403014 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=591) -1 7.669542 3.664501 -15.927651 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=592) -1 -9.386090 -11.418594 18.318566 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=592) -1 -8.878956 -10.828336 18.918350 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=592) -1 -9.923745 -10.735957 17.842830 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=593) -1 32.577675 3.874244 -5.625224 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=593) -1 31.671663 4.128429 -5.939879 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=593) -1 33.084115 3.992762 -6.441323 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=594) -1 29.214934 -0.906453 -9.757681 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=594) -1 29.756616 -1.505372 -10.287073 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=594) -1 28.312697 -1.244637 -9.948068 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=595) -1 28.671658 11.965678 11.835478 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=595) -1 27.937970 11.449884 12.250093 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=595) -1 29.425308 11.362921 12.057934 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=596) -1 -23.482882 5.250362 -10.397191 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=596) -1 -24.122190 5.335272 -9.654333 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=596) -1 -23.150973 4.338601 -10.227300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=597) -1 27.535839 9.282891 -10.863262 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=597) -1 28.324868 9.152959 -11.441400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=597) -1 26.830982 9.287330 -11.545914 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=598) -1 -7.971075 12.412483 2.396796 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=598) -1 -8.178763 11.451494 2.337012 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=598) -1 -8.613824 12.655251 3.119817 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=599) -1 20.546382 13.266114 11.937279 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=599) -1 19.740366 13.387495 12.475254 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=599) -1 21.031795 14.095055 12.144253 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=600) -1 7.627540 -9.513928 9.223767 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=600) -1 8.451406 -9.182974 9.610703 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=600) -1 7.754393 -9.254601 8.280306 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=601) -1 7.016776 -14.099944 9.014181 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=601) -1 7.931641 -14.139156 8.648686 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=601) -1 7.211603 -13.862420 9.943178 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=602) -1 -6.176745 -14.001273 20.122379 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=602) -1 -6.442214 -14.569287 19.368820 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=602) -1 -6.999540 -14.040257 20.662234 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=603) -1 1.499956 -13.485432 1.152375 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=603) -1 1.016768 -14.251195 1.539705 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=603) -1 1.949124 -13.146057 1.956441 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=604) -1 -9.304441 -15.487747 -3.218153 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=604) -1 -9.759959 -15.885621 -3.999220 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=604) -1 -9.393322 -14.528453 -3.479276 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=605) -1 -6.406983 13.604508 6.188652 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=605) -1 -7.182880 14.205928 6.170701 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=605) -1 -6.159567 13.628608 5.235345 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=606) -1 10.810897 -10.910682 -6.776698 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=606) -1 10.790762 -10.657387 -5.830435 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=606) -1 10.492678 -11.848942 -6.692272 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=607) -1 -12.126354 7.620826 -9.463012 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=607) -1 -12.543153 7.976571 -8.644703 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=607) -1 -11.716770 6.803649 -9.085568 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=608) -1 -25.557002 22.035661 0.347152 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=608) -1 -25.952790 21.586186 1.132219 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=608) -1 -26.262997 22.707434 0.184817 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=609) -1 14.749869 18.996935 1.794780 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=609) -1 14.863805 19.853236 2.278541 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=609) -1 15.136986 19.262729 0.924881 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=610) -1 -1.801492 -14.229947 7.099116 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=610) -1 -2.543678 -13.636464 6.866182 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=610) -1 -1.467339 -14.470838 6.215166 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=611) -1 -2.109908 13.619101 5.337093 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=611) -1 -1.334496 13.515047 5.930553 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=611) -1 -1.657242 13.671609 4.467698 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=612) -1 -15.775935 28.069480 -8.159495 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=612) -1 -16.617853 28.079598 -7.648179 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=612) -1 -15.418648 28.950619 -7.897654 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=613) -1 26.495424 11.189683 4.143919 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=613) -1 26.712046 10.327635 3.693053 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=613) -1 26.822384 11.811060 3.476411 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=614) -1 14.183103 17.665654 5.412438 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=614) -1 15.164942 17.607703 5.438189 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=614) -1 14.041998 18.542279 5.800310 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=615) -1 -19.612440 14.678391 -7.492415 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=615) -1 -20.141774 13.882081 -7.754565 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=615) -1 -19.929862 14.765553 -6.562631 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=616) -1 -13.058123 12.349868 -2.628030 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=616) -1 -12.424084 11.603086 -2.703612 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=616) -1 -12.980952 12.544684 -1.663830 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=617) -1 32.595419 3.071266 8.765157 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=617) -1 32.438683 3.832209 8.150990 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=617) -1 32.857617 2.389763 8.104332 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=618) -1 -17.016180 -19.196449 -12.831770 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=618) -1 -16.313601 -19.862618 -12.725936 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=618) -1 -17.395738 -19.198698 -11.922435 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=619) -1 -8.031450 5.365823 11.764534 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=619) -1 -8.100898 6.324892 12.016748 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=619) -1 -7.493179 5.044870 12.521290 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=620) -1 -16.978869 23.069799 -14.473805 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=620) -1 -16.568710 23.507961 -15.257065 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=620) -1 -16.247463 22.450426 -14.238664 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=621) -1 -19.235567 -7.035505 -10.286278 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=621) -1 -18.349935 -7.188445 -10.715033 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=621) -1 -19.308858 -6.063885 -10.461455 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=622) -1 -18.651137 22.839927 -12.285983 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=622) -1 -18.044237 22.428926 -11.627919 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=622) -1 -18.073861 22.806309 -13.080980 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=623) -1 11.182806 -18.881038 -8.531989 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=623) -1 11.753525 -19.418545 -9.137689 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=623) -1 11.791715 -18.099211 -8.429730 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=624) -1 -11.806016 16.881802 8.381460 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=624) -1 -12.670807 16.895580 7.901723 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=624) -1 -11.926650 17.690454 8.934549 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=625) -1 32.880600 6.463579 12.633308 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=625) -1 33.747046 6.328389 12.175800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=625) -1 32.692266 5.522671 12.872051 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=626) -1 9.083476 -8.920928 4.241427 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=626) -1 10.060396 -9.051025 4.326674 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=626) -1 9.099956 -8.031205 3.795951 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=627) -1 12.160069 14.425626 10.679123 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=627) -1 12.144510 14.165348 9.736404 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=627) -1 12.035267 13.551945 11.108779 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=628) -1 11.771479 -9.045129 4.504224 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=628) -1 11.988288 -9.377308 3.605439 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=628) -1 12.260314 -9.703796 5.050153 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=629) -1 -2.747574 6.743345 8.664239 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=629) -1 -1.918769 6.681113 9.163679 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=629) -1 -3.052364 7.643597 8.933780 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=630) -1 23.225112 -14.246392 -6.107643 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=630) -1 23.576624 -14.048366 -7.020357 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=630) -1 22.688270 -15.049418 -6.347617 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=631) -1 5.702984 4.661130 8.210720 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=631) -1 4.877609 4.218470 7.949893 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=631) -1 6.029123 4.979259 7.342794 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=632) -1 -10.673471 9.701090 -5.892660 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=632) -1 -9.755524 9.974938 -6.138088 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=632) -1 -10.596965 8.732995 -6.097601 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=633) -1 -18.385940 24.642268 -8.558031 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=633) -1 -18.160934 24.829233 -9.485814 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=633) -1 -18.604804 23.686186 -8.614525 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=634) -1 28.568746 -6.001857 9.077513 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=634) -1 29.393965 -5.767005 9.578873 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=634) -1 28.575796 -5.263903 8.428151 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=635) -1 -18.604698 24.521523 5.539336 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=635) -1 -18.574183 24.329305 6.515722 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=635) -1 -18.579303 25.494015 5.567961 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=636) -1 16.360099 -19.335340 -2.662658 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=636) -1 16.204668 -19.097785 -3.618423 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=636) -1 17.334654 -19.490022 -2.712810 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=637) -1 -21.435197 -12.990050 -12.567676 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=637) -1 -21.229021 -13.912972 -12.872712 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=637) -1 -20.561884 -12.574359 -12.815216 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=638) -1 -24.964816 -17.535056 3.117218 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=638) -1 -24.594880 -18.288486 2.605721 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=638) -1 -24.289307 -17.463584 3.824011 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=639) -1 32.430376 -7.663293 -6.300250 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=639) -1 32.472244 -7.720707 -7.265286 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=639) -1 31.633842 -8.230266 -6.127189 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=640) -1 -19.448993 4.658560 11.473110 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=640) -1 -20.324197 4.302721 11.794373 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=640) -1 -19.507876 4.357828 10.536074 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=641) -1 -14.909182 24.729283 -1.799272 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=641) -1 -15.561135 25.321749 -1.363373 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=641) -1 -14.660487 24.150550 -1.067433 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=642) -1 -24.471002 -22.035226 2.616791 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=642) -1 -24.124219 -22.470159 1.798295 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=642) -1 -24.168218 -22.661054 3.290444 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=643) -1 23.436741 10.379795 -15.063483 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=643) -1 23.411553 9.451411 -14.750117 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=643) -1 23.795469 10.822069 -14.263339 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=644) -1 -19.852666 9.148447 -5.971851 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=644) -1 -20.128581 9.728502 -5.221515 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=644) -1 -19.992051 8.268173 -5.542409 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=645) -1 -18.963300 21.908888 -8.881479 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=645) -1 -18.101823 21.854929 -9.377576 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=645) -1 -19.213101 20.942550 -8.971438 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=646) -1 -17.314567 -5.907498 14.547754 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=646) -1 -16.876337 -6.675662 14.139759 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=646) -1 -16.655637 -5.198770 14.355576 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=647) -1 -14.046908 31.354256 0.541557 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=647) -1 -13.348115 30.669668 0.658581 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=647) -1 -14.583768 31.161129 1.350443 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=648) -1 16.627472 14.651122 -4.637269 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=648) -1 16.886547 15.523058 -4.256451 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=648) -1 17.359488 14.097281 -4.290087 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=649) -1 -17.230794 9.947830 2.289038 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=649) -1 -17.421814 9.993433 3.256579 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=649) -1 -18.151668 9.921030 1.943915 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=650) -1 -18.028029 29.947595 -14.113008 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=650) -1 -18.268973 28.993848 -14.154907 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=650) -1 -18.676107 30.330042 -14.717194 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=651) -1 19.982321 1.504113 10.557500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=651) -1 20.434280 1.494403 11.442276 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=651) -1 19.991274 0.544549 10.365454 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=652) -1 -1.633656 -17.505570 6.477432 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=652) -1 -2.106265 -18.329156 6.663021 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=652) -1 -1.451790 -17.180026 7.383767 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=653) -1 14.045291 -16.628204 3.819118 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=653) -1 14.004715 -15.653188 4.019153 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=653) -1 13.614879 -16.601770 2.926474 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=654) -1 12.480339 3.017461 7.741953 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=654) -1 13.024543 2.603693 8.446509 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=654) -1 12.370952 2.246303 7.140767 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=655) -1 21.991119 -11.412057 -4.612473 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=655) -1 21.394036 -11.750696 -5.329723 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=655) -1 22.164947 -10.515766 -4.984915 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=656) -1 -8.702585 28.364982 -8.321825 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=656) -1 -9.652445 28.217768 -8.148959 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=656) -1 -8.632242 28.010149 -9.234623 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=657) -1 18.801540 13.149222 -3.636499 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=657) -1 18.384916 12.360313 -4.061392 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=657) -1 19.396411 12.693041 -3.001249 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=658) -1 -26.296719 -16.823532 -6.469473 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=658) -1 -26.229197 -16.123320 -7.174006 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=658) -1 -25.406572 -16.737412 -6.075659 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=659) -1 2.179498 11.184525 6.808962 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=659) -1 3.000692 11.600890 7.121526 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=659) -1 2.423921 10.227937 6.935792 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=660) -1 -13.162822 11.958434 -11.552640 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=660) -1 -13.763240 11.248906 -11.914031 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=660) -1 -12.788310 11.439322 -10.792433 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=661) -1 32.183194 -0.872107 14.935994 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=661) -1 32.568451 -1.438060 14.227594 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=661) -1 31.438109 -1.449891 15.211409 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=662) -1 23.052527 -12.926519 -17.041219 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=662) -1 23.445143 -13.713561 -16.612311 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=662) -1 22.252515 -12.805668 -16.475895 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=663) -1 -12.118955 14.396248 -7.807785 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=663) -1 -13.108563 14.366347 -7.795728 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=663) -1 -11.943806 13.437663 -7.613952 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=664) -1 30.074985 4.353959 -6.381734 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=664) -1 29.811994 3.454412 -6.094528 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=664) -1 29.419699 4.507507 -7.097706 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=665) -1 -8.757664 -20.229323 3.061050 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=665) -1 -8.258368 -20.247772 3.922199 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=665) -1 -9.419034 -20.935447 3.271585 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=666) -1 26.697951 -6.776001 10.831207 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=666) -1 27.197518 -6.461968 11.602913 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=666) -1 27.352409 -6.565636 10.112880 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=667) -1 9.881935 -16.841129 -9.894756 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=667) -1 10.306269 -16.250117 -9.228003 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=667) -1 10.176592 -17.711801 -9.554591 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=668) -1 -24.133736 13.278970 5.729042 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=668) -1 -23.645948 12.603104 6.269659 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=668) -1 -24.901422 12.744219 5.460684 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=669) -1 -13.696740 4.258171 -9.262967 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=669) -1 -13.986121 3.402661 -9.633384 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=669) -1 -14.386666 4.850168 -9.644587 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=670) -1 13.508109 14.250014 -0.486427 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=670) -1 14.353755 13.842805 -0.235268 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=670) -1 13.208660 14.604406 0.380793 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=671) -1 13.454595 -16.816804 -3.565933 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=671) -1 13.509987 -17.493330 -4.283595 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=671) -1 12.472014 -16.745641 -3.504136 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=672) -1 -6.595992 -19.585403 -1.582503 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=672) -1 -6.766592 -19.303216 -0.663023 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=672) -1 -6.712874 -18.741125 -2.061497 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=673) -1 -15.483229 -22.390491 1.972690 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=673) -1 -14.494215 -22.360048 2.031213 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=673) -1 -15.684581 -21.843444 2.780986 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=674) -1 -12.574858 26.372899 -14.182490 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=674) -1 -11.591682 26.365163 -14.189912 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=674) -1 -12.755445 25.759882 -14.929271 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=675) -1 -0.233054 -12.134550 -5.213204 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=675) -1 0.313351 -12.952685 -5.157007 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=675) -1 -1.111843 -12.524146 -4.970496 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=676) -1 -11.155879 14.107176 -3.459929 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=676) -1 -11.677911 14.920725 -3.608653 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=676) -1 -11.867791 13.473365 -3.237066 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=677) -1 10.711707 -18.358318 2.436363 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=677) -1 10.105073 -18.104987 1.704640 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=677) -1 11.442728 -18.754661 1.924586 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=678) -1 -16.020959 27.037099 -15.328254 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=678) -1 -15.419635 27.638538 -14.841915 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=678) -1 -16.885883 27.315176 -14.970333 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=679) -1 -6.222565 5.284575 18.519634 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=679) -1 -6.814773 6.046101 18.339018 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=679) -1 -6.896138 4.558275 18.525200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=680) -1 -14.631524 16.886753 -3.685770 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=680) -1 -14.883256 16.208375 -4.357645 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=680) -1 -13.667365 16.724264 -3.644448 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=681) -1 -9.303931 17.406535 15.954551 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=681) -1 -8.341720 17.298530 16.128633 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=681) -1 -9.659244 16.662103 16.480434 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=682) -1 21.173249 14.385038 -11.125668 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=682) -1 20.783719 14.829921 -10.339199 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=682) -1 20.402393 13.901553 -11.463781 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=683) -1 -9.439872 -12.924484 -12.921587 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=683) -1 -10.093302 -12.215237 -13.075217 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=683) -1 -9.945044 -13.512082 -12.320360 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=684) -1 10.743680 -9.944683 -9.252320 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=684) -1 10.985453 -10.777681 -9.687189 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=684) -1 10.756930 -10.242869 -8.302225 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=685) -1 -20.615202 14.481100 11.386479 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=685) -1 -20.458030 14.742911 10.453335 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=685) -1 -21.208688 13.705439 11.239840 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=686) -1 -23.278112 1.169496 -11.641845 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=686) -1 -23.754986 0.700768 -10.905904 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=686) -1 -22.864515 1.890045 -11.104823 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=687) -1 19.703375 18.288489 -6.519155 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=687) -1 19.299257 18.238913 -7.416558 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=687) -1 20.042166 17.355749 -6.460464 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=688) -1 -4.048226 12.457221 6.921650 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=688) -1 -3.526187 13.077545 6.363027 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=688) -1 -4.946641 12.849350 6.797950 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=689) -1 18.975569 -18.450301 -5.210368 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=689) -1 19.047469 -19.027210 -4.422466 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=689) -1 19.468272 -17.662111 -4.887448 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=690) -1 -30.637418 -22.640481 -5.665002 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=690) -1 -30.299770 -22.548204 -6.564218 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=690) -1 -30.896312 -21.716396 -5.458001 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=691) -1 10.968526 -1.216338 9.960956 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=691) -1 10.877422 -2.091977 10.368952 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=691) -1 10.235457 -1.266698 9.290122 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=692) -1 12.145857 12.003740 11.971201 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=692) -1 11.988324 11.376512 12.722872 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=692) -1 12.216021 11.333865 11.241532 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=693) -1 20.146820 -8.838063 -16.395370 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=693) -1 20.740522 -8.351199 -15.767870 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=693) -1 20.045672 -9.674052 -15.858852 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=694) -1 32.396083 5.612451 -3.550324 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=694) -1 32.527499 4.966449 -4.278063 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=694) -1 32.671072 5.053791 -2.782235 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=695) -1 18.676599 -12.450066 9.722310 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=695) -1 19.108836 -13.308266 9.506657 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=695) -1 19.190126 -11.855121 9.135754 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=696) -1 -3.868071 9.056321 9.487583 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=696) -1 -4.495888 9.014301 8.724332 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=696) -1 -4.507497 8.904601 10.222811 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=697) -1 -3.027760 7.588447 -7.050561 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=697) -1 -2.147814 7.197423 -7.293174 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=697) -1 -3.609842 6.880425 -7.418572 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=698) -1 -18.313556 24.758995 -5.843849 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=698) -1 -18.771382 23.883675 -5.797620 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=698) -1 -18.213338 24.822599 -6.823379 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=699) -1 17.632359 -8.300035 -17.380796 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=699) -1 17.260728 -9.207834 -17.285885 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=699) -1 18.561901 -8.481379 -17.098166 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=700) -1 34.724186 9.170640 -4.332605 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=700) -1 35.628425 8.858740 -4.200484 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=700) -1 34.250484 8.673591 -3.625172 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=701) -1 -30.473425 -17.737687 1.969570 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=701) -1 -29.809259 -18.375031 1.612988 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=701) -1 -30.138719 -17.610241 2.866448 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=703) -1 -2.301293 0.798975 -11.173072 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=703) -1 -1.424923 1.213174 -11.392732 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=703) -1 -2.016335 -0.149188 -11.179409 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=704) -1 9.808828 12.286183 -14.339434 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=704) -1 9.871155 12.986974 -13.654363 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=704) -1 8.857523 12.136420 -14.375471 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=705) -1 14.650669 -18.119533 -7.409188 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=705) -1 13.994762 -17.541413 -7.876217 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=705) -1 14.047658 -18.477344 -6.707798 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=706) -1 -13.080618 14.815133 5.262800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=706) -1 -13.393472 14.439124 4.402760 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=706) -1 -13.271606 14.024822 5.835538 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=707) -1 -11.546555 15.598052 -10.150717 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=707) -1 -11.669594 15.152391 -9.273627 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=707) -1 -10.839715 16.237287 -9.896067 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=708) -1 7.417974 -14.063916 4.025903 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=708) -1 7.507617 -14.812788 4.658457 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=708) -1 8.358083 -13.968472 3.755898 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=709) -1 19.562249 11.921335 9.774439 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=709) -1 19.890512 12.502491 10.501548 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=709) -1 19.865813 12.468532 9.000805 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=710) -1 -32.303034 -18.545223 -1.473801 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=710) -1 -32.835141 -19.251628 -1.884403 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=710) -1 -31.812668 -18.216291 -2.263247 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=711) -1 -6.965609 27.139425 -6.692549 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=711) -1 -6.436966 27.844418 -6.286383 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=711) -1 -7.624916 27.683078 -7.194821 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=712) -1 9.521577 -3.852115 2.350907 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=712) -1 9.835474 -2.933655 2.540646 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=712) -1 8.661823 -3.647547 1.929939 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=713) -1 0.480372 8.448636 -4.789705 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=713) -1 1.137149 8.424196 -4.048396 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=713) -1 0.755009 7.612066 -5.248068 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=715) -1 37.260070 -3.750900 2.396850 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=715) -1 36.805411 -3.784706 3.269006 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=715) -1 37.015879 -2.834144 2.125024 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=716) -1 15.721252 -6.583842 -16.502575 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=716) -1 16.299744 -7.305610 -16.859681 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=716) -1 15.735825 -6.851186 -15.547402 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=717) -1 -27.680443 23.820042 2.833546 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=717) -1 -28.081103 24.483399 3.413416 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=717) -1 -26.722420 24.047120 2.935887 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=718) -1 29.640576 1.779356 -5.441251 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=718) -1 28.722624 1.763161 -5.085115 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=718) -1 29.466108 1.420450 -6.348791 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=719) -1 -25.149102 -4.925596 -2.505469 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=719) -1 -24.821561 -4.971298 -3.439925 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=719) -1 -24.400550 -4.380898 -2.133420 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=720) -1 -5.775706 8.149216 11.272249 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=720) -1 -6.682965 8.041817 11.662521 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=720) -1 -5.631480 7.233317 10.954467 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=721) -1 32.444720 7.357631 5.714720 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=721) -1 32.531425 6.559114 6.270256 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=721) -1 33.184796 7.216349 5.081896 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=722) -1 30.633999 6.102857 9.308415 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=722) -1 30.856090 6.887514 9.846639 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=722) -1 30.389152 5.475020 10.029599 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=723) -1 -29.854235 -17.897618 -11.282755 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=723) -1 -30.311245 -17.040706 -11.149098 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=723) -1 -29.265814 -17.649498 -12.037703 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=724) -1 -18.343862 16.911504 -8.412820 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=724) -1 -17.756490 17.000409 -7.626583 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=724) -1 -18.842365 16.100584 -8.144666 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=725) -1 -6.647314 12.896939 13.630820 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=725) -1 -7.331620 12.401726 14.150804 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=725) -1 -6.189917 12.115784 13.218308 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=726) -1 -18.104469 17.328020 2.735138 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=726) -1 -17.726178 16.845446 1.959724 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=726) -1 -17.369310 17.191924 3.375825 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=727) -1 -16.811482 14.978163 13.119939 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=727) -1 -17.726193 14.657101 13.316129 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=727) -1 -16.306049 14.290532 13.627849 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=728) -1 -9.617620 13.024466 4.354816 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=728) -1 -9.275734 13.796770 4.855927 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=728) -1 -10.250153 12.656467 5.003073 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=729) -1 -10.529992 9.299238 7.131698 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=729) -1 -10.560382 9.078246 6.179126 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=729) -1 -10.218588 8.435364 7.491951 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=730) -1 -10.688544 20.072264 11.288996 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=730) -1 -11.400218 19.572364 10.828342 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=730) -1 -10.759042 19.722027 12.184539 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=731) -1 -10.155484 7.132896 -6.467853 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=731) -1 -9.307207 7.232061 -6.964414 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=731) -1 -10.562322 6.406730 -6.993986 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=732) -1 -12.326322 -20.943235 5.966567 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=732) -1 -13.251738 -20.932099 6.299776 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=732) -1 -11.834193 -20.995573 6.812947 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=733) -1 -1.700003 -2.357033 20.574396 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=733) -1 -1.960704 -1.795403 21.341543 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=733) -1 -1.898091 -1.732736 19.841081 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=734) -1 2.747600 11.894655 -4.538884 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=734) -1 2.245474 12.026489 -3.695552 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=734) -1 2.016910 11.892099 -5.176224 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=735) -1 -13.432640 32.136675 -4.224028 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=735) -1 -12.681965 31.566601 -3.931954 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=735) -1 -13.657131 32.540521 -3.344599 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=736) -1 30.745033 3.064404 -1.904005 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=736) -1 31.593213 3.563621 -1.750523 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=736) -1 31.060569 2.482409 -2.639516 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=737) -1 -5.142492 -18.420998 13.831607 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=737) -1 -4.873484 -17.578401 13.379361 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=737) -1 -5.885930 -18.673225 13.234302 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=738) -1 8.030236 -8.552267 6.708258 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=738) -1 7.301425 -8.069677 6.243861 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=738) -1 8.518731 -8.871684 5.906719 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=739) -1 -23.154769 11.327553 7.365529 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=739) -1 -23.269608 10.395715 7.040951 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=739) -1 -22.318208 11.192669 7.879892 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=740) -1 -9.088017 26.903347 -0.327658 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=740) -1 -8.182127 27.079631 0.022765 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=740) -1 -8.842803 26.320757 -1.089285 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=741) -1 -1.699945 -17.467048 -6.352275 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=741) -1 -1.372468 -18.263822 -6.793184 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=741) -1 -2.656340 -17.503783 -6.589551 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=742) -1 9.142172 1.855690 12.270554 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=742) -1 8.255125 1.477312 12.174987 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=742) -1 8.978847 2.774835 11.937228 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=743) -1 30.535635 10.072800 12.189023 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=743) -1 31.434514 10.108262 12.548274 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=743) -1 30.431865 9.094023 12.075582 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=744) -1 -8.066673 3.421083 18.107511 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=744) -1 -8.411520 3.765525 17.257424 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=744) -1 -8.060180 2.456240 17.916759 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=745) -1 0.688140 -5.604428 -7.851427 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=745) -1 0.825384 -4.832185 -7.240825 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=745) -1 1.628353 -5.700490 -8.165422 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=746) -1 19.836176 -15.097409 5.925684 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=746) -1 19.776581 -15.050479 4.937455 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=746) -1 20.803806 -14.879003 6.011761 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=747) -1 34.079159 -1.900434 3.194086 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=747) -1 34.760659 -1.703158 2.508745 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=747) -1 34.193602 -1.103805 3.763878 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=748) -1 -19.603408 22.417944 -6.201299 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=748) -1 -20.535613 22.733386 -6.254184 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=748) -1 -19.465509 22.131141 -7.127000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=749) -1 -10.704817 23.800987 -14.359005 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=749) -1 -9.950153 23.297411 -13.985761 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=749) -1 -10.305780 24.699679 -14.398141 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=750) -1 -8.036690 -1.720575 23.378202 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=750) -1 -7.602232 -0.869605 23.171172 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=750) -1 -8.849752 -1.428005 23.805295 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=751) -1 -29.750558 -11.388997 -6.291617 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=751) -1 -29.217662 -10.558447 -6.372451 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=751) -1 -29.643333 -11.732615 -7.206396 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=752) -1 -27.648723 -5.286271 -3.818924 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=752) -1 -26.849801 -5.343475 -3.251163 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=752) -1 -27.408726 -4.483713 -4.348365 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=753) -1 13.190812 1.702719 13.354605 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=753) -1 12.680146 1.396654 12.560863 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=753) -1 12.428748 2.013896 13.902771 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=754) -1 -0.404659 -1.774734 13.939869 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=754) -1 -0.630779 -1.527304 14.873899 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=754) -1 0.250020 -2.493592 14.133158 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=755) -1 28.396085 4.310262 -13.478053 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=755) -1 27.884340 5.100886 -13.210285 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=755) -1 27.875349 4.026313 -14.264846 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=756) -1 0.127884 12.961897 0.352313 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=756) -1 0.506205 13.523506 -0.345259 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=756) -1 0.804190 12.240252 0.378335 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=757) -1 27.835620 -8.570460 -4.723107 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=757) -1 28.095389 -9.256080 -4.061251 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=757) -1 27.206560 -9.114893 -5.261019 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=758) -1 -12.258115 -22.132685 -5.977562 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=758) -1 -12.284189 -22.982655 -5.476125 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=758) -1 -13.025349 -22.239633 -6.556501 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=759) -1 -7.559124 -9.739728 19.762891 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=759) -1 -6.874603 -10.447713 19.670210 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=759) -1 -7.066379 -9.139788 20.379229 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=760) -1 2.608952 0.391657 -13.233437 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=760) -1 2.073450 -0.088793 -12.565388 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=760) -1 2.547696 1.304377 -12.875020 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=761) -1 15.433291 21.181569 3.231009 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=761) -1 16.049001 21.830288 2.832130 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=761) -1 16.038816 20.749551 3.874077 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=762) -1 21.658753 -14.086761 -3.852175 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=762) -1 22.273231 -14.227919 -4.613737 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=762) -1 21.665779 -13.105650 -3.826461 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=763) -1 -16.079450 16.780424 4.533721 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=763) -1 -16.352849 17.151693 5.405278 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=763) -1 -16.071424 15.817642 4.788854 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=764) -1 9.403560 -17.271224 0.260966 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=764) -1 9.801054 -16.419954 0.578736 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=764) -1 8.539567 -16.904930 -0.064000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=765) -1 -5.179989 7.414922 16.257061 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=765) -1 -4.402342 7.472480 16.868860 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=765) -1 -5.037066 6.495992 15.924888 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=766) -1 -14.197753 28.433874 -13.765748 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=766) -1 -13.636946 27.628196 -13.935171 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=766) -1 -13.472877 29.049043 -13.492863 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=767) -1 12.855140 4.452213 -22.521857 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=767) -1 12.716948 5.110291 -21.813635 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=767) -1 12.316296 3.707557 -22.173060 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=768) -1 -5.914198 9.826818 15.379564 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=768) -1 -6.882305 9.695156 15.520259 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=768) -1 -5.596877 8.930837 15.659249 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=769) -1 -8.140016 19.480947 -5.113843 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=769) -1 -8.523562 19.002126 -5.880342 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=769) -1 -8.576618 18.985164 -4.379902 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=770) -1 -12.389472 -17.942039 8.987609 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=770) -1 -13.167378 -18.271681 8.484880 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=770) -1 -12.868271 -17.426096 9.684077 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=771) -1 -5.331867 -6.796667 -10.122190 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=771) -1 -4.546145 -6.772341 -9.509732 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=771) -1 -5.412360 -5.823190 -10.278906 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=772) -1 10.804720 6.429042 -12.827561 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=772) -1 10.883022 7.254547 -13.363851 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=772) -1 11.654769 6.481401 -12.335536 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=773) -1 -25.994029 24.760472 -1.605229 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=773) -1 -25.491515 25.107682 -0.825854 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=773) -1 -26.791717 24.426233 -1.130922 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=774) -1 -13.647508 12.582132 6.621330 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=774) -1 -12.770001 12.201269 6.348026 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=774) -1 -13.857013 11.937079 7.346788 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=775) -1 16.473561 5.404023 11.466132 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=775) -1 15.911644 4.698264 11.851426 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=775) -1 17.209797 4.848615 11.107394 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=776) -1 -25.723613 5.284758 5.112172 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=776) -1 -25.119005 4.752407 5.680986 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=776) -1 -26.046807 4.572960 4.514329 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=777) -1 -25.412294 23.365586 -3.825976 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=777) -1 -25.653428 24.031656 -3.125476 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=777) -1 -25.819969 22.568906 -3.390908 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=778) -1 8.902700 4.288013 -17.064681 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=778) -1 9.149250 5.112810 -17.564922 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=778) -1 9.360064 3.632873 -17.652664 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=779) -1 8.523955 -16.542404 -7.310592 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=779) -1 9.415392 -16.123586 -7.479797 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=779) -1 8.284408 -16.757984 -8.233284 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=780) -1 36.558824 6.210007 -0.274842 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=780) -1 36.474468 6.920236 0.386588 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=780) -1 35.613584 6.120752 -0.546659 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=781) -1 -4.775132 -2.794833 22.292296 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=781) -1 -5.375964 -2.191407 21.801954 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=781) -1 -4.072758 -2.157005 22.551580 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=782) -1 -26.522081 21.452359 -2.273507 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=782) -1 -26.037562 21.310609 -1.437721 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=782) -1 -27.445889 21.363289 -1.959681 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=783) -1 24.082774 8.351280 -2.766430 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=783) -1 24.817266 7.815104 -2.414964 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=783) -1 24.118593 8.122286 -3.716532 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=784) -1 7.989883 5.688751 9.227383 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=784) -1 7.102583 5.308893 9.035074 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=784) -1 8.170046 5.270022 10.096088 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=785) -1 -23.691085 4.011214 -5.469368 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=785) -1 -23.019656 3.878906 -4.739347 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=785) -1 -23.737984 3.078917 -5.787472 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=786) -1 4.154473 4.444078 4.676859 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=786) -1 3.710703 4.580075 3.808734 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=786) -1 5.054617 4.180426 4.351466 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=787) -1 8.075563 -15.955616 5.893366 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=787) -1 8.580603 -15.460286 6.579313 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=787) -1 8.821857 -16.429727 5.455895 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=788) -1 -14.379773 1.997799 -13.008531 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=788) -1 -14.562275 1.856456 -12.052961 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=788) -1 -15.225307 1.635978 -13.385887 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=789) -1 26.883177 -13.870349 -11.899151 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=789) -1 25.983519 -13.536172 -11.688033 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=789) -1 26.815003 -13.872978 -12.887454 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=790) -1 -12.957367 -15.660322 -9.998660 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=790) -1 -13.831414 -15.438638 -9.629949 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=790) -1 -13.240032 -16.208271 -10.776992 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=791) -1 -17.736568 -9.637560 -13.221995 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=791) -1 -16.772535 -9.709720 -13.092999 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=791) -1 -17.932206 -8.824802 -12.726059 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=792) -1 27.183368 2.308841 -4.417490 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=792) -1 26.941300 3.111066 -4.933767 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=792) -1 27.464676 2.741132 -3.575721 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=793) -1 2.091208 8.221267 -2.671265 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=793) -1 2.605281 7.367863 -2.655397 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=793) -1 1.644733 8.147967 -1.803571 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=794) -1 11.999468 7.407677 -16.880900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=794) -1 12.686190 8.115014 -16.908963 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=794) -1 12.483945 6.724357 -16.368204 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=795) -1 7.314043 -15.697654 -0.516662 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=795) -1 7.630301 -14.800500 -0.757458 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=795) -1 6.371748 -15.624982 -0.721266 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=796) -1 38.165475 -5.735291 0.751903 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=796) -1 38.029545 -4.970708 1.354886 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=796) -1 37.758010 -6.448863 1.258073 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=797) -1 -9.256902 -15.077232 -0.530689 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=797) -1 -9.020317 -15.115406 -1.486620 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=797) -1 -9.250982 -16.050624 -0.332912 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=798) -1 29.688944 4.450722 5.513680 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=798) -1 29.808393 5.325304 5.066027 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=798) -1 28.748670 4.289574 5.316599 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=799) -1 -12.465601 5.698669 -13.208827 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=799) -1 -11.515333 5.764298 -13.017773 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=799) -1 -12.431061 5.112956 -14.013136 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=801) -1 31.034405 -7.772044 0.207829 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=801) -1 30.401733 -7.994058 -0.501882 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=801) -1 30.423651 -7.632041 0.961662 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=802) -1 -6.693245 21.102465 -3.551520 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=802) -1 -6.615622 20.373111 -2.880353 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=802) -1 -7.212415 20.589719 -4.233452 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=803) -1 35.616397 2.068342 3.148861 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=803) -1 35.973330 1.742262 2.287004 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=803) -1 35.788201 3.017112 3.062978 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=804) -1 -9.185755 -22.628711 6.033726 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=804) -1 -9.792768 -22.531728 5.274885 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=804) -1 -9.739146 -22.285990 6.761941 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=805) -1 3.535366 -0.362597 -4.262630 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=805) -1 4.099586 0.174679 -4.866163 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=805) -1 2.785744 0.278148 -4.156848 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=806) -1 -25.703724 -0.517130 7.884487 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=806) -1 -26.367613 -1.160935 8.174845 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=806) -1 -24.907997 -1.113106 7.826140 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=807) -1 -10.648409 5.908477 14.185771 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=807) -1 -11.215196 5.869437 13.374583 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=807) -1 -10.287206 6.831261 14.047364 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=808) -1 5.936213 -1.159630 -11.820082 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=808) -1 6.162718 -1.960033 -12.352647 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=808) -1 5.827889 -1.586669 -10.937495 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=809) -1 -14.523340 30.323349 -7.426666 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=809) -1 -13.647514 30.183941 -6.983095 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=809) -1 -14.198655 30.786102 -8.238028 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=810) -1 15.083413 -0.261248 13.684444 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=810) -1 15.741065 0.241575 14.182598 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=810) -1 14.371775 0.409574 13.580963 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=811) -1 -11.576685 -16.855495 -7.954901 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=811) -1 -11.972861 -17.750008 -8.136944 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=811) -1 -12.056276 -16.350211 -8.659525 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=812) -1 -19.743402 -21.010423 2.659347 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=812) -1 -20.513033 -20.976168 2.051817 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=812) -1 -19.035711 -21.254400 2.022777 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=813) -1 -15.469860 -4.071972 13.900725 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=813) -1 -15.590016 -3.409440 13.181033 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=813) -1 -14.808444 -4.659358 13.477966 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=814) -1 -0.917842 -16.676473 -0.065568 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=814) -1 -1.530790 -17.338175 0.324051 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=814) -1 -0.509483 -16.319408 0.749939 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=815) -1 -2.809235 -15.846436 -10.722366 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=815) -1 -3.061340 -14.985141 -11.108547 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=815) -1 -1.941587 -15.588669 -10.309519 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=816) -1 11.553262 8.483370 -14.393368 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=816) -1 11.383967 8.286824 -15.344899 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=816) -1 12.413772 7.976209 -14.304041 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=817) -1 21.616042 -3.941453 -19.801719 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=817) -1 21.516085 -2.996072 -20.004509 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=817) -1 20.879166 -4.069019 -19.165772 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=818) -1 -16.813130 21.797917 -10.520154 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=818) -1 -16.526179 20.953434 -10.944438 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=818) -1 -15.930387 22.167445 -10.287952 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=819) -1 27.670067 10.907834 6.609449 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=819) -1 28.074780 10.092087 6.199479 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=819) -1 27.123232 11.178747 5.826581 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=820) -1 -26.201282 1.321298 1.211109 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=820) -1 -26.521632 2.005475 1.819623 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=820) -1 -26.700594 1.518306 0.400047 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=821) -1 -4.273752 1.139394 22.694354 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=821) -1 -4.083850 1.974799 22.205756 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=821) -1 -5.251917 1.167943 22.710553 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=822) -1 -7.837298 7.594133 -7.869929 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=822) -1 -7.540446 6.878924 -8.468167 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=822) -1 -6.958287 7.949621 -7.587013 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=823) -1 -21.682340 4.472966 7.974982 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=823) -1 -20.910604 3.967868 8.325516 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=823) -1 -21.182282 5.224837 7.555371 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=824) -1 17.996734 19.413680 -4.678721 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=824) -1 18.665789 19.195486 -5.368718 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=824) -1 17.835816 18.517192 -4.317457 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=825) -1 12.637722 10.238455 10.034124 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=825) -1 13.569515 10.563377 9.936270 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=825) -1 12.740726 9.335159 9.674592 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=826) -1 24.167136 -7.088598 -16.644221 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=826) -1 24.398382 -6.475201 -15.905184 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=826) -1 24.039204 -6.417892 -17.361553 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=827) -1 -6.865610 25.531953 -8.920587 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=827) -1 -6.189584 24.885387 -8.566428 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=827) -1 -6.890000 26.134025 -8.134211 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=828) -1 -8.772905 14.188217 16.552357 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=828) -1 -7.795842 14.265299 16.607805 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=828) -1 -8.834323 13.322571 16.079478 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=829) -1 -14.356395 16.517047 15.353800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=829) -1 -13.686602 17.179889 15.625478 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=829) -1 -14.890788 17.039122 14.727983 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=830) -1 -15.681251 30.587864 -12.926136 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=830) -1 -16.585639 30.461810 -13.306058 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=830) -1 -15.262988 29.754423 -13.242252 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=831) -1 -16.675525 5.607431 16.089869 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=831) -1 -16.818126 6.570891 16.093519 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=831) -1 -17.041852 5.369824 15.212702 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=832) -1 -22.459918 24.689643 2.993949 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=832) -1 -22.146735 25.167034 2.198850 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=832) -1 -21.640897 24.224336 3.261640 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=833) -1 35.514211 -3.722987 4.534375 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=833) -1 34.997996 -4.564117 4.520554 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=833) -1 34.882602 -3.147511 4.034241 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=834) -1 -7.155646 -4.186237 22.438020 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=834) -1 -7.588869 -3.383180 22.810423 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=834) -1 -6.220022 -3.889216 22.462003 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=835) -1 -31.933481 -16.345953 0.208046 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=835) -1 -31.435750 -16.814389 0.928359 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=835) -1 -32.283899 -17.133421 -0.268197 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=836) -1 -15.636524 12.939877 14.428495 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=836) -1 -16.195312 12.194916 14.742843 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=836) -1 -15.014471 12.436862 13.840562 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=837) -1 1.927896 -0.495375 10.994023 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=837) -1 1.262895 -1.104146 10.632791 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=837) -1 1.381969 0.350000 10.987165 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=838) -1 -18.748094 0.263009 -0.597436 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=838) -1 -18.059249 -0.056308 0.013084 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=838) -1 -18.307712 1.054774 -0.971194 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=839) -1 21.289859 15.835231 9.538340 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=839) -1 21.717827 15.012633 9.180868 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=839) -1 20.494360 15.862545 8.986851 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=840) -1 33.387770 7.793752 -2.444930 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=840) -1 32.974132 7.058656 -2.981623 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=840) -1 33.652911 7.234364 -1.662757 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=841) -1 -9.342832 12.948508 -6.190218 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=841) -1 -10.187047 12.613810 -6.577708 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=841) -1 -8.752576 12.200712 -6.447314 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=842) -1 -12.615076 29.024630 0.755515 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=842) -1 -12.265308 28.558468 1.548644 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=842) -1 -13.505216 28.623509 0.693061 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=843) -1 10.366404 5.201635 13.622081 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=843) -1 11.182298 5.614987 13.284666 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=843) -1 10.715412 4.378395 14.009210 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=844) -1 -23.936109 -11.890308 -12.846068 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=844) -1 -23.057754 -12.317174 -12.965120 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=844) -1 -23.685229 -11.149717 -12.260510 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=845) -1 7.470240 14.105968 -6.242467 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=845) -1 6.506777 14.027189 -6.046826 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=845) -1 7.411915 14.532330 -7.134922 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=846) -1 12.523985 -16.841766 -11.005472 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=846) -1 12.666613 -16.726286 -10.031489 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=846) -1 11.558772 -16.693994 -11.045514 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=847) -1 0.393713 1.301639 15.145096 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=847) -1 1.160274 0.760634 14.840542 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=847) -1 0.159910 1.716263 14.267277 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=848) -1 -23.965610 7.177633 4.315873 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=848) -1 -24.742782 6.634742 4.577406 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=848) -1 -23.931871 7.819030 5.042276 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=849) -1 10.168953 -14.240052 3.791287 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=849) -1 10.289504 -15.161529 4.128279 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=849) -1 10.539973 -13.742647 4.557105 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=850) -1 -8.985310 11.844317 -3.609274 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=850) -1 -8.064860 12.122252 -3.401890 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=850) -1 -9.190928 12.466685 -4.337012 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=851) -1 -25.277252 -25.873300 -2.847270 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=851) -1 -25.004092 -25.462396 -3.706383 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=851) -1 -24.453816 -25.704597 -2.333169 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=852) -1 -20.582335 23.497723 -10.452143 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=852) -1 -20.209545 22.800987 -9.866262 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=852) -1 -20.035264 23.334482 -11.257003 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=853) -1 -30.841941 -17.677304 -3.635710 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=853) -1 -30.133451 -17.447843 -4.292317 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=853) -1 -30.765923 -16.857088 -3.072933 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=854) -1 5.179886 0.398035 -13.887225 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=854) -1 5.415325 -0.170491 -13.111564 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=854) -1 4.190105 0.320823 -13.822233 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=855) -1 -18.528136 24.093621 8.155549 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=855) -1 -18.985148 24.452587 8.960144 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=855) -1 -18.520881 23.140488 8.401095 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=856) -1 -17.640119 17.618376 -10.968209 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=856) -1 -17.136802 16.854441 -11.337071 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=856) -1 -17.848847 17.250211 -10.074925 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=857) -1 3.038274 -5.206522 -2.670285 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=857) -1 2.957973 -4.433391 -3.266886 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=857) -1 3.013860 -4.744397 -1.795168 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=858) -1 -3.886878 5.517302 19.806640 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=858) -1 -4.785686 5.437654 19.405770 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=858) -1 -3.497548 6.182368 19.200075 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=859) -1 8.089637 11.906788 -4.745374 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=859) -1 9.000814 12.032040 -4.376579 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=859) -1 7.979218 12.782353 -5.185833 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=860) -1 -11.199108 10.401847 -3.292846 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=860) -1 -11.216789 10.102117 -4.233384 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=860) -1 -10.369891 10.952151 -3.334788 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=861) -1 -11.348575 27.626166 -7.891030 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=861) -1 -12.029190 26.980617 -8.193977 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=861) -1 -10.940875 27.095445 -7.164016 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=862) -1 -12.001612 13.549124 -13.395614 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=862) -1 -11.635530 12.892101 -14.004656 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=862) -1 -12.415002 12.957151 -12.720408 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=863) -1 33.935093 -1.440034 10.738383 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=863) -1 33.913796 -0.463318 10.713168 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=863) -1 34.768260 -1.600300 10.233513 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=864) -1 -14.957866 -20.640344 6.676420 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=864) -1 -14.964925 -19.905966 7.343849 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=864) -1 -15.841641 -21.034538 6.890077 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=865) -1 1.540216 -13.223159 -1.503177 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=865) -1 1.572863 -13.359118 -0.522098 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=865) -1 0.885165 -13.922831 -1.734301 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=866) -1 -26.949964 -11.536551 1.593219 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=866) -1 -26.082033 -11.448082 1.125514 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=866) -1 -27.030602 -10.601243 1.911885 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=867) -1 10.791689 2.507131 14.360215 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=867) -1 10.197657 2.230246 13.625715 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=867) -1 10.267484 2.249153 15.130520 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=868) -1 -7.174994 0.500248 12.793377 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=868) -1 -6.675722 0.248431 11.977106 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=868) -1 -6.487337 1.040071 13.237545 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=869) -1 17.448654 19.792995 4.474087 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=869) -1 17.767495 19.558606 3.576998 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=869) -1 17.411162 18.908514 4.889663 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=870) -1 35.481281 -7.221017 -1.989271 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=870) -1 34.891050 -7.097321 -2.759536 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=870) -1 34.881578 -7.694237 -1.377330 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=871) -1 -11.351961 12.134578 14.958740 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=871) -1 -12.142370 12.666444 15.178037 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=871) -1 -11.772940 11.322186 14.605843 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=872) -1 -0.988105 -0.860455 16.380657 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=872) -1 -0.566062 0.011202 16.264461 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=872) -1 -1.487511 -0.730674 17.204510 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=873) -1 -1.008836 -7.594461 -7.487415 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=873) -1 -0.393807 -6.826313 -7.637147 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=873) -1 -0.646081 -8.224475 -8.129740 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=874) -1 -19.761110 9.990744 1.164515 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=874) -1 -20.071851 9.931268 2.109426 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=874) -1 -20.462137 9.474639 0.732525 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=875) -1 -24.663420 22.985678 -6.384652 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=875) -1 -25.002975 23.176012 -5.476410 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=875) -1 -25.307276 22.329374 -6.682547 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=876) -1 14.085711 -11.386027 8.484901 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=876) -1 13.883370 -10.732069 9.175642 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=876) -1 14.828759 -11.873466 8.940895 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=877) -1 29.086992 0.512764 13.441274 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=877) -1 28.922671 -0.466047 13.407006 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=877) -1 28.269400 0.810963 12.981432 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=878) -1 -16.169979 14.365462 5.679007 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=878) -1 -16.123201 13.431162 5.381147 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=878) -1 -15.749214 14.284348 6.562060 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=879) -1 -6.937749 22.927024 -1.445140 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=879) -1 -6.946301 22.170815 -0.801514 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=879) -1 -6.825444 22.401358 -2.275542 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=880) -1 -20.149357 9.993436 11.344046 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=880) -1 -19.764780 10.426956 12.145412 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=880) -1 -19.771869 9.091613 11.455352 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=881) -1 -25.651705 17.741638 0.603666 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=881) -1 -25.630743 16.997864 -0.014256 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=881) -1 -24.831668 17.572217 1.123571 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=882) -1 25.005801 -12.824432 3.487454 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=882) -1 24.557712 -13.527230 2.950962 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=882) -1 24.805586 -13.170262 4.389110 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=883) -1 15.062205 2.954466 -22.902208 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=883) -1 15.602753 3.374826 -22.195563 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=883) -1 14.292711 3.571932 -22.908863 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=884) -1 11.476885 12.570299 -1.154214 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=884) -1 12.236398 13.190959 -1.046738 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=884) -1 11.022927 12.728563 -0.294697 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=885) -1 -13.807074 11.773749 12.919913 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=885) -1 -13.609031 11.970288 11.985122 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=885) -1 -13.195994 11.025933 13.085906 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=886) -1 -0.938734 -9.862901 15.161976 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=886) -1 -1.117601 -10.833404 15.220569 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=886) -1 -0.023082 -9.907360 14.783521 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=887) -1 22.963637 -0.357438 14.152933 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=887) -1 23.005302 -1.161658 13.602833 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=887) -1 23.813446 -0.383545 14.610347 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=888) -1 -9.536797 25.745394 2.126577 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=888) -1 -9.562506 26.196326 1.248441 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=888) -1 -8.739001 25.183816 1.984123 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=889) -1 26.230103 -14.191763 10.763720 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=889) -1 25.656420 -13.963604 10.009681 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=889) -1 26.099934 -13.408617 11.338088 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=890) -1 6.172582 3.022398 -10.635198 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=890) -1 5.855089 3.168848 -11.556872 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=890) -1 6.822009 2.300255 -10.807936 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=891) -1 -3.600656 -10.485474 15.292916 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=891) -1 -2.790423 -9.980052 15.063172 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=891) -1 -3.241036 -11.400193 15.224433 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=892) -1 -30.306650 -13.154169 -4.386574 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=892) -1 -30.276973 -13.904170 -5.027309 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=892) -1 -30.099276 -12.416724 -5.023750 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=893) -1 -7.055032 -0.157827 -12.884775 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=893) -1 -7.268675 0.621450 -13.432385 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=893) -1 -7.752059 -0.056544 -12.183748 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=894) -1 -16.440676 8.452807 15.544766 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=894) -1 -15.469154 8.322044 15.498919 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=894) -1 -16.673444 8.219742 14.610494 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=895) -1 25.764980 -10.895280 8.617949 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=895) -1 25.445089 -11.765186 8.930436 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=895) -1 25.843451 -10.416745 9.473094 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=896) -1 12.837505 6.120258 12.429487 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=896) -1 13.421686 6.636848 11.814688 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=896) -1 13.062739 6.613599 13.267456 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=897) -1 -13.157459 -14.299854 19.022918 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=897) -1 -13.132248 -15.108123 19.587750 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=897) -1 -12.344562 -13.851722 19.347998 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=898) -1 20.072640 -14.828858 3.237178 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=898) -1 19.875818 -13.887029 3.043570 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=898) -1 19.734546 -15.234034 2.395829 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=899) -1 10.211960 10.652917 2.198783 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=899) -1 10.250687 11.581433 1.899326 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=899) -1 10.788080 10.218968 1.544967 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=900) -1 -26.071470 -9.587188 -8.454873 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=900) -1 -26.235507 -10.473194 -8.861438 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=900) -1 -25.156919 -9.429359 -8.817547 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=901) -1 28.019826 4.678023 -8.171739 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=901) -1 27.696715 3.882706 -8.658665 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=901) -1 27.852280 5.363822 -8.862944 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=902) -1 -26.585095 -8.844806 2.059660 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=902) -1 -27.203143 -8.101004 2.014059 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=902) -1 -25.730259 -8.356215 2.157539 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=903) -1 34.767935 0.162595 4.825592 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=903) -1 34.290380 0.708841 5.481474 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=903) -1 35.100311 0.880127 4.225784 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=904) -1 -10.931641 20.185015 6.635531 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=904) -1 -10.070398 20.048739 6.198300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=904) -1 -10.646015 20.477847 7.523361 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=905) -1 33.570963 -8.458129 -0.361769 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=905) -1 32.673685 -8.162016 -0.052958 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=905) -1 34.011902 -8.522558 0.521588 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=906) -1 -25.030308 24.102799 3.204989 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=906) -1 -24.087376 24.429912 3.227086 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=906) -1 -24.874055 23.231525 3.655125 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=907) -1 3.007200 -15.226063 10.643411 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=907) -1 2.368689 -15.329529 9.886913 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=907) -1 3.170517 -16.161954 10.845846 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=908) -1 -22.006670 14.049517 1.905886 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=908) -1 -21.308839 14.534192 1.406094 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=908) -1 -21.803562 13.135207 1.656602 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=909) -1 12.867932 -18.742904 -5.457292 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=909) -1 11.923180 -18.620541 -5.713052 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=909) -1 12.739205 -19.438433 -4.758550 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=910) -1 9.865028 -6.656111 7.462169 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=910) -1 9.137734 -7.289404 7.304144 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=910) -1 9.368865 -5.812616 7.502210 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=911) -1 -28.700992 -15.174972 -8.570159 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=911) -1 -28.713908 -16.175781 -8.631325 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=911) -1 -27.700267 -15.084429 -8.490309 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=912) -1 13.748780 7.427095 14.565629 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=912) -1 14.581284 6.901596 14.666632 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=912) -1 14.138429 8.334144 14.632197 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=913) -1 -24.723343 25.306523 0.698557 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=913) -1 -23.804285 25.614205 0.831761 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=913) -1 -24.909857 24.911672 1.573913 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=914) -1 -0.756353 12.927858 3.045118 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=914) -1 -1.099469 12.050238 2.736724 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=914) -1 -0.436118 13.270333 2.177968 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=915) -1 18.283259 -18.035844 -10.023630 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=915) -1 18.819660 -18.091860 -10.844681 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=915) -1 18.793069 -17.363187 -9.527880 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=916) -1 -5.905330 11.032762 -5.388210 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=916) -1 -5.082520 10.733676 -4.918934 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=916) -1 -6.180831 11.739854 -4.757265 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=917) -1 24.536195 -13.487283 8.640144 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=917) -1 24.533973 -13.434145 7.654224 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=917) -1 23.876713 -14.203768 8.764137 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=918) -1 1.078699 -0.578193 -11.181750 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=918) -1 1.455288 -0.981702 -10.378617 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=918) -1 0.233411 -1.073371 -11.253563 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=919) -1 26.343715 -10.440199 -6.032898 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=919) -1 25.691104 -11.087872 -5.672463 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=919) -1 26.126165 -10.519491 -6.994128 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=920) -1 -10.062929 26.400255 -5.753363 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=920) -1 -9.278380 25.889268 -5.443130 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=920) -1 -10.668505 25.653893 -5.965605 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=921) -1 -20.327760 23.215232 3.944641 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=921) -1 -19.757823 23.678297 4.603110 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=921) -1 -20.833987 22.626600 4.551067 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=922) -1 -3.513126 -7.304549 21.211662 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=922) -1 -2.612884 -7.642483 20.985021 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=922) -1 -3.294347 -6.350297 21.333502 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=923) -1 31.534027 1.539842 13.883607 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=923) -1 31.876704 0.735450 14.348400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=923) -1 30.606470 1.223833 13.721219 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=924) -1 -18.457293 11.380755 -6.889121 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=924) -1 -19.332354 11.731135 -7.190110 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=924) -1 -18.731089 10.456673 -6.679147 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=925) -1 12.673242 -17.558637 5.934149 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=925) -1 13.200702 -18.323689 6.210009 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=925) -1 13.199425 -17.250842 5.155498 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=926) -1 -20.883001 7.223868 -13.579547 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=926) -1 -20.405321 6.477860 -14.011560 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=926) -1 -21.798804 6.853049 -13.599802 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=927) -1 -13.405776 9.059115 -7.467181 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=927) -1 -13.302931 9.278787 -6.518965 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=927) -1 -14.269526 8.578549 -7.433557 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=929) -1 -30.886638 -23.568460 -3.140348 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=929) -1 -30.501419 -24.482486 -3.122442 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=929) -1 -30.797169 -23.389224 -4.109891 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=930) -1 22.575830 -8.945379 -17.856850 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=930) -1 21.676241 -8.919517 -17.472936 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=930) -1 23.038209 -8.307244 -17.268778 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=931) -1 -22.038948 26.063299 0.650456 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=931) -1 -21.272340 26.667430 0.784117 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=931) -1 -22.142892 26.118899 -0.312818 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=932) -1 -14.143282 5.016939 13.751646 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=932) -1 -14.743399 4.608556 13.082307 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=932) -1 -13.403236 5.279723 13.153455 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=933) -1 -27.663457 19.524977 0.805236 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=933) -1 -26.967901 18.825975 0.721400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=933) -1 -27.351223 19.961692 1.628554 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=934) -1 0.026598 -3.365385 -9.472157 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=934) -1 0.169577 -4.211277 -9.002282 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=934) -1 0.738139 -2.820045 -9.069760 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=935) -1 -8.876780 22.486605 -12.826375 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=935) -1 -8.337204 22.837997 -12.083968 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=935) -1 -9.695922 22.241296 -12.347753 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=936) -1 -25.000235 2.071641 8.550534 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=936) -1 -25.232666 2.414392 7.668754 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=936) -1 -25.252394 1.127240 8.444519 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=937) -1 22.212620 14.259479 -3.614855 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=937) -1 21.409002 14.827554 -3.649796 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=937) -1 22.571582 14.502675 -2.749436 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=938) -1 -29.049628 -22.383425 -1.543393 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=938) -1 -29.706432 -22.879263 -2.092079 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=938) -1 -29.668075 -21.756466 -1.095181 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=939) -1 23.724057 -2.067892 -14.226925 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=939) -1 24.414768 -2.441682 -13.649333 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=939) -1 22.913985 -2.378265 -13.768623 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=940) -1 25.237895 11.462295 10.220313 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=940) -1 24.275554 11.470463 10.463330 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=940) -1 25.265283 12.328036 9.739036 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=941) -1 4.228074 -1.880073 11.563784 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=941) -1 3.447264 -1.331163 11.320292 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=941) -1 4.529263 -2.144408 10.668102 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=942) -1 -25.810576 5.596797 -5.254339 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=942) -1 -25.078342 4.935530 -5.342587 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=942) -1 -26.529875 4.984925 -4.964147 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=943) -1 25.123570 15.453565 11.175445 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=943) -1 26.003924 14.998065 11.211579 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=943) -1 25.380748 16.345632 11.449331 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=944) -1 -1.843341 5.161707 16.593860 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=944) -1 -2.232320 4.260898 16.677418 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=944) -1 -1.079486 4.935085 15.997939 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=945) -1 -10.578178 -14.627532 -11.069734 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=945) -1 -10.088215 -14.779995 -10.229643 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=945) -1 -11.471749 -14.937878 -10.791106 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=946) -1 15.992207 5.940730 14.290691 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=946) -1 15.553442 5.107463 14.005335 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=946) -1 16.559788 6.108701 13.516555 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=947) -1 -5.306588 -4.027219 -10.539724 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=947) -1 -4.341130 -3.973870 -10.746009 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=947) -1 -5.501143 -3.055056 -10.495873 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=948) -1 -17.846192 2.156652 -16.278733 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=948) -1 -18.802982 2.209518 -16.104563 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=948) -1 -17.564834 3.061911 -16.013743 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=949) -1 22.974098 10.709319 -2.230737 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=949) -1 23.454126 10.901425 -1.378403 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=949) -1 23.388700 9.823402 -2.418013 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=950) -1 -4.341331 -16.941901 -12.700940 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=950) -1 -3.716764 -16.738775 -11.967037 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=950) -1 -3.897353 -17.689963 -13.121387 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=951) -1 -23.817839 -4.409752 2.478681 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=951) -1 -23.779584 -3.632059 3.081127 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=951) -1 -22.942949 -4.806870 2.661219 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=952) -1 -8.196657 10.496995 -6.789744 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=952) -1 -7.349289 10.650414 -6.303870 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=952) -1 -7.931776 9.740624 -7.348955 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=953) -1 -20.906696 12.308446 -7.630635 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=953) -1 -21.141647 11.432611 -8.034120 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=953) -1 -21.562595 12.322633 -6.898132 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=954) -1 26.418338 -15.024012 -9.511648 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=954) -1 26.831442 -14.680662 -10.345887 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=954) -1 25.747008 -15.623461 -9.923310 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=955) -1 -11.723652 -18.533271 15.268121 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=955) -1 -11.531658 -19.342702 14.733096 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=955) -1 -11.405606 -17.856341 14.611603 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=956) -1 19.631678 -17.933616 -12.468528 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=956) -1 18.790888 -17.489345 -12.785338 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=956) -1 19.807510 -18.457302 -13.293600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=957) -1 4.065644 9.735875 -0.688468 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=957) -1 4.971887 9.400948 -0.507056 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=957) -1 4.105749 9.794946 -1.666956 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=958) -1 26.498560 -12.234756 -2.989696 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=958) -1 26.323742 -13.124202 -2.652561 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=958) -1 25.819465 -12.172105 -3.702170 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=959) -1 -3.424169 -16.717972 10.291268 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=959) -1 -3.825368 -16.450680 11.158293 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=959) -1 -4.270786 -16.777380 9.761867 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=960) -1 3.662643 3.573972 -9.700608 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=960) -1 4.620019 3.411826 -9.851904 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=960) -1 3.637712 3.604249 -8.724164 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=961) -1 28.808666 -11.536216 -5.900961 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=961) -1 27.900652 -11.138373 -5.938823 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=961) -1 28.674080 -12.241524 -6.584944 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=962) -1 25.513230 8.969372 -12.795056 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=962) -1 24.706289 8.540229 -13.176012 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=962) -1 25.166272 9.894075 -12.724458 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=963) -1 -10.811542 -22.762133 -2.494326 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=963) -1 -9.871435 -22.477725 -2.514022 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=963) -1 -10.723216 -23.554351 -1.901571 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=964) -1 8.849994 4.401097 11.506350 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=964) -1 9.735493 4.503217 11.048527 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=964) -1 9.097866 4.852901 12.354268 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=965) -1 -19.173100 22.316621 1.676861 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=965) -1 -19.567420 22.496468 2.560605 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=965) -1 -18.308793 21.938085 1.946729 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=966) -1 -9.007556 -9.160982 -12.365031 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=966) -1 -8.389796 -8.383155 -12.388418 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=966) -1 -8.321417 -9.858462 -12.169413 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=967) -1 -7.233465 -17.349015 -3.187235 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=967) -1 -7.776535 -17.877265 -3.835612 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=967) -1 -7.866868 -16.603417 -3.055741 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=968) -1 -15.112418 4.653620 -13.197572 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=968) -1 -14.837932 3.708024 -13.232635 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=968) -1 -14.236543 5.083461 -13.297722 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=969) -1 -24.021828 19.140063 3.846676 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=969) -1 -23.922241 18.507779 4.603503 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=969) -1 -24.096874 18.478705 3.114986 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=970) -1 -11.043738 -24.983037 -1.078089 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=970) -1 -11.399470 -25.023404 -0.161142 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=970) -1 -11.765343 -25.456647 -1.552009 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=971) -1 1.401947 -15.563397 8.564673 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=971) -1 1.531703 -15.774281 7.612847 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=971) -1 0.461968 -15.840416 8.668267 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=972) -1 -8.687969 -14.272481 13.695390 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=972) -1 -8.970896 -14.736573 14.510480 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=972) -1 -7.930196 -14.854686 13.434801 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=973) -1 -13.995902 2.698657 19.143226 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=973) -1 -14.258723 1.780260 18.898681 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=973) -1 -13.757738 2.547818 20.088768 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=974) -1 33.119351 1.084293 6.925814 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=974) -1 32.771108 0.161724 6.908996 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=974) -1 32.458354 1.499533 6.305340 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=975) -1 4.158733 9.784628 -3.502153 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=975) -1 3.739160 10.550498 -3.960049 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=975) -1 3.359201 9.231206 -3.344883 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=976) -1 -13.422716 13.996262 15.673102 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=976) -1 -14.224531 13.538372 15.320810 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=976) -1 -13.765901 14.928060 15.634707 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=977) -1 37.157734 3.531994 -0.520709 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=977) -1 37.098168 4.511303 -0.455931 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=977) -1 36.571658 3.382729 -1.300174 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=978) -1 -17.524381 5.091400 13.451181 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=978) -1 -16.862805 4.616851 12.887059 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=978) -1 -18.332874 4.922203 12.913506 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=979) -1 -12.563514 2.316491 21.434760 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=979) -1 -11.924603 3.033307 21.630382 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=979) -1 -11.952436 1.616612 21.129474 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=980) -1 -7.435172 -2.587102 -13.977905 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=980) -1 -7.037687 -2.425654 -14.846983 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=980) -1 -7.261157 -1.718559 -13.538436 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=981) -1 -28.833982 -17.037131 -5.343222 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=981) -1 -27.942369 -16.819900 -5.705731 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=981) -1 -29.345508 -16.280019 -5.719667 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=982) -1 23.793432 13.619710 -11.078399 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=982) -1 23.988647 13.786811 -10.131208 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=982) -1 22.840702 13.880907 -11.100602 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=983) -1 36.186430 -1.361010 1.553172 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=983) -1 35.996478 -1.348829 0.579016 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=983) -1 36.520260 -0.435986 1.641015 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=984) -1 -18.443292 30.748498 -5.320398 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=984) -1 -17.467476 30.944266 -5.265158 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=984) -1 -18.740500 31.541486 -5.793197 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=985) -1 -0.566301 9.884325 -2.463928 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=985) -1 -0.515982 9.460768 -3.345358 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=985) -1 -0.301140 9.129835 -1.892958 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=986) -1 -26.697301 -2.294668 -10.640394 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=986) -1 -27.182329 -2.070629 -9.821909 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=986) -1 -26.470502 -3.241133 -10.434243 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=987) -1 6.764930 -10.203800 3.562192 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=987) -1 6.427846 -9.300919 3.349203 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=987) -1 7.680420 -9.956313 3.844453 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=988) -1 7.253537 0.538919 -15.583400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=988) -1 7.755709 -0.178499 -15.124820 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=988) -1 6.414277 0.489855 -15.055920 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=989) -1 -5.572233 8.781820 -7.047404 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=989) -1 -5.524896 9.592288 -6.501406 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=989) -1 -4.634597 8.495998 -7.022526 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=990) -1 -6.824022 -13.115532 -13.453156 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=990) -1 -7.776618 -13.098379 -13.157543 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=990) -1 -6.955776 -12.990993 -14.407876 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=991) -1 16.809644 3.816639 -20.972117 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=991) -1 16.689208 4.256348 -20.090119 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=991) -1 17.561006 4.328986 -21.311070 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=992) -1 -9.751261 17.996262 -6.837670 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=992) -1 -10.599402 18.380392 -6.517565 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=992) -1 -9.868869 17.066976 -6.509194 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=993) -1 24.053161 10.001871 4.566982 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=993) -1 24.863664 10.560975 4.568234 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=993) -1 24.473977 9.134132 4.315731 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=994) -1 30.635331 -4.869846 10.390208 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=994) -1 30.488169 -4.287580 11.174841 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=994) -1 31.345500 -4.344009 9.945947 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=995) -1 14.713956 7.418901 10.906413 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=995) -1 15.186707 8.199407 11.283226 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=995) -1 15.424213 6.739133 11.024367 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=996) -1 5.269631 3.045417 -13.233393 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=996) -1 5.242040 2.092170 -13.493318 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=996) -1 5.949006 3.355765 -13.881147 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=997) -1 -16.002259 15.659869 -11.973814 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=997) -1 -15.295329 15.201233 -11.447244 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=997) -1 -16.448828 14.885365 -12.355830 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=998) -1 -11.330921 11.531391 5.905918 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=998) -1 -11.049874 10.851439 6.573525 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=998) -1 -11.243607 10.957193 5.095789 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=999) -1 -22.031295 12.231597 10.940274 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=999) -1 -21.791507 11.526111 11.576792 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=999) -1 -21.646535 11.830053 10.117405 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1000) -1 -3.339122 -6.478074 -8.382371 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1000) -1 -2.539589 -6.969649 -8.087117 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1000) -1 -3.299666 -5.719836 -7.750419 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1002) -1 -20.446992 2.194355 -15.005296 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1002) -1 -20.672350 1.234839 -15.131642 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1002) -1 -19.873694 2.088734 -14.191768 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1003) -1 -21.320334 -4.648107 -12.852181 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1003) -1 -20.683680 -4.731112 -12.105403 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1003) -1 -20.747018 -4.141211 -13.482491 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1004) -1 -9.461627 -15.110939 -8.592306 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1004) -1 -10.128171 -14.442335 -8.297054 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1004) -1 -9.926263 -15.929497 -8.307518 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1005) -1 11.932623 5.621894 8.048972 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1005) -1 11.099785 5.694495 7.540019 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1005) -1 12.163815 4.677143 7.852947 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1006) -1 -24.355887 -0.406813 2.094260 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1006) -1 -25.070188 0.198168 1.759812 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1006) -1 -24.507992 -1.162796 1.475579 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1007) -1 -20.271537 9.713613 3.728742 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1007) -1 -20.652569 9.048432 4.357323 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1007) -1 -19.457246 9.946880 4.230759 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1008) -1 12.872711 -16.162376 1.425099 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1008) -1 13.382805 -15.514290 0.891270 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1008) -1 11.968734 -15.778357 1.335597 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1009) -1 0.467183 -6.764698 18.596420 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1009) -1 -0.071600 -5.962992 18.825072 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1009) -1 -0.164279 -7.192036 17.965552 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1010) -1 -17.680140 -6.460246 17.138506 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1010) -1 -17.546108 -6.190156 16.192610 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1010) -1 -17.176931 -7.312465 17.111654 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1011) -1 -26.891660 -19.380514 -7.314270 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1011) -1 -26.665450 -18.451011 -7.071915 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1011) -1 -27.494754 -19.599768 -6.569403 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1012) -1 -27.421410 -1.676720 -8.015882 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1012) -1 -26.507131 -2.044570 -7.934964 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1012) -1 -27.611792 -1.555856 -7.044628 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1013) -1 4.582687 -7.368360 -1.942525 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1013) -1 5.375685 -6.814471 -1.749338 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1013) -1 4.022792 -6.670245 -2.374709 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1014) -1 -21.089933 -0.402336 -15.042570 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1014) -1 -21.576894 -0.654774 -14.220595 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1014) -1 -21.429288 -1.097367 -15.649568 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1015) -1 12.621815 0.175184 -19.966534 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1015) -1 11.830626 0.044001 -19.383382 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1015) -1 13.199674 -0.530681 -19.559585 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1016) -1 36.647699 1.248687 0.784394 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1016) -1 36.944332 2.082149 0.333852 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1016) -1 36.432411 0.712961 -0.011889 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1017) -1 20.701906 6.903818 -14.026898 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1017) -1 20.759300 5.920945 -13.966231 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1017) -1 20.191519 6.975895 -14.872833 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1018) -1 -2.097517 -16.335795 13.752998 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1018) -1 -2.079116 -17.326832 13.670080 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1018) -1 -3.002361 -16.187738 13.367036 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1019) -1 -21.962461 8.570627 -3.190958 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1019) -1 -21.367614 7.884433 -3.564813 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1019) -1 -22.800067 8.052549 -3.144568 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1020) -1 24.125121 11.069428 0.126554 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1020) -1 23.566462 11.071440 0.944749 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1020) -1 25.000029 10.928180 0.510153 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1021) -1 8.432330 -4.943674 -15.487567 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1021) -1 9.391382 -4.900503 -15.283630 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1021) -1 8.114549 -5.455488 -14.711082 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1022) -1 19.826136 -14.730144 8.703272 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1022) -1 20.757287 -15.026413 8.829414 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1022) -1 19.742249 -14.876385 7.733867 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1023) -1 -5.817286 3.326479 -10.813073 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1023) -1 -4.966577 3.506494 -11.297223 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1023) -1 -5.599874 2.413886 -10.496694 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1024) -1 22.374062 15.312496 11.954111 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1024) -1 23.322897 15.311228 11.718746 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1024) -1 21.989020 15.657794 11.114198 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1025) -1 21.490002 -14.997649 0.254447 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1025) -1 21.327844 -14.603979 -0.613120 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1025) -1 20.568632 -15.234809 0.525872 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1026) -1 15.997205 -5.024613 14.719508 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1026) -1 16.775214 -5.421660 14.276152 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1026) -1 15.764926 -4.319781 14.076149 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1027) -1 14.394132 13.241244 12.931403 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1027) -1 14.992296 12.799598 12.276759 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1027) -1 13.539401 12.832735 12.656406 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1028) -1 -14.068298 16.643525 6.993679 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1028) -1 -14.655613 16.002239 7.465506 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1028) -1 -13.783768 16.060926 6.245393 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1029) -1 2.651479 7.664388 3.589079 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1029) -1 3.307696 7.620570 4.316528 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1029) -1 2.763225 6.767575 3.204561 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1030) -1 -16.804915 26.183390 -0.567828 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1030) -1 -17.522752 26.581674 -1.119458 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1030) -1 -17.368503 25.640701 0.039309 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1031) -1 18.941697 10.247180 11.818555 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1031) -1 19.887900 9.967115 11.808842 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1031) -1 18.948311 10.800820 10.995038 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1032) -1 -18.935135 -14.016032 -15.100153 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1032) -1 -19.630416 -14.467855 -14.567162 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1032) -1 -18.858139 -13.182008 -14.579122 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1033) -1 -28.683448 -19.500780 1.011875 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1033) -1 -28.075524 -19.208087 0.292152 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1033) -1 -28.091901 -20.170209 1.446287 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1034) -1 -22.767720 3.100380 -13.645661 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1034) -1 -23.013268 2.333385 -13.091940 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1034) -1 -22.048827 2.717534 -14.184688 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1035) -1 -0.151912 -15.289758 -2.285494 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1035) -1 -0.359389 -15.827176 -1.477789 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1035) -1 -0.876500 -15.619707 -2.870309 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1036) -1 -14.218368 27.973299 4.045387 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1036) -1 -13.494841 27.808186 3.400068 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1036) -1 -13.690006 27.956039 4.876504 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1037) -1 6.833867 5.583025 5.857911 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1037) -1 7.778628 5.775279 6.015961 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1037) -1 6.901805 4.974683 5.085611 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1038) -1 -11.151873 26.342990 -11.086810 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1038) -1 -11.458017 27.267707 -11.070217 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1038) -1 -10.186883 26.477228 -10.935716 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1039) -1 12.240257 11.109533 -14.478116 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1039) -1 11.953796 10.172811 -14.350057 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1039) -1 11.347748 11.527756 -14.575701 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1040) -1 11.632078 2.560047 -20.925925 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1040) -1 12.052858 1.682776 -20.756251 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1040) -1 10.937301 2.536635 -20.229751 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1041) -1 -25.745052 1.255915 5.760412 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1041) -1 -24.756819 1.224017 5.683395 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1041) -1 -25.874360 0.524551 6.402650 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1042) -1 -11.411634 -18.117888 -12.962731 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1042) -1 -11.048555 -18.985910 -12.740925 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1042) -1 -10.610017 -17.551230 -12.832672 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1043) -1 -8.564729 9.309812 15.758881 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1043) -1 -8.495986 8.532817 16.359598 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1043) -1 -9.099643 8.898539 15.032041 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1044) -1 -23.856922 13.317307 9.200258 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1044) -1 -23.768603 12.536421 8.611672 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1044) -1 -23.351248 12.998130 9.980048 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1045) -1 -23.427725 -5.244164 -11.176353 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1045) -1 -22.725356 -5.087415 -11.849556 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1045) -1 -23.017383 -5.997068 -10.691583 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1046) -1 -30.576602 -15.620094 -1.989067 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1046) -1 -30.817649 -14.673522 -2.114286 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1046) -1 -31.105663 -15.812429 -1.177166 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1047) -1 -7.184876 15.913511 3.328257 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1047) -1 -6.473659 15.238434 3.350255 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1047) -1 -7.600852 15.696628 2.466064 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1048) -1 -11.101556 -10.579619 -13.148381 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1048) -1 -11.671619 -10.284905 -12.403934 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1048) -1 -10.297122 -10.025980 -12.947240 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1049) -1 -0.249534 12.422065 6.926831 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1049) -1 -0.741741 11.936332 7.618690 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1049) -1 0.639266 12.015399 7.020301 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1050) -1 14.185886 17.739324 -6.835172 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1050) -1 14.338244 18.017461 -5.903076 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1050) -1 14.618012 16.853607 -6.808012 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1051) -1 -22.558545 4.853581 4.096494 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1051) -1 -23.044950 4.471274 4.858559 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1051) -1 -22.999878 5.732694 4.041541 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1052) -1 -28.270194 -16.710611 -13.124079 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1052) -1 -28.465663 -15.755061 -13.026071 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1052) -1 -27.326622 -16.661082 -13.401145 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1053) -1 -6.503245 27.682851 -1.898865 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1053) -1 -6.884010 26.812759 -2.152687 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1053) -1 -6.268257 27.497004 -0.965298 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1054) -1 17.878831 -1.064100 -19.784638 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1054) -1 18.843622 -1.073903 -19.583394 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1054) -1 17.857059 -0.324395 -20.435120 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1055) -1 -23.443987 17.202649 2.071974 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1055) -1 -23.463230 16.390404 2.633977 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1055) -1 -22.467922 17.298664 1.970853 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1056) -1 11.102375 -4.330702 -15.072516 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1056) -1 10.977420 -3.569442 -15.681870 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1056) -1 11.956076 -4.684988 -15.434297 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1057) -1 24.987742 13.866544 8.950799 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1057) -1 24.014566 13.851745 8.740245 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1057) -1 24.965940 14.539975 9.673255 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1058) -1 29.346354 8.338845 -12.672554 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1058) -1 29.972401 8.023438 -13.357078 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1058) -1 28.613549 7.699684 -12.814557 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1059) -1 -3.495288 3.311977 21.282097 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1059) -1 -3.735304 4.147659 20.807427 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1059) -1 -2.535244 3.314409 21.154670 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1060) -1 -17.278045 10.993694 15.486619 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1060) -1 -17.461284 11.138044 16.427921 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1060) -1 -16.980254 10.048677 15.511325 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1061) -1 -24.996461 5.625475 -8.133282 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1061) -1 -25.387710 5.867392 -7.268784 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1061) -1 -25.159359 4.644971 -8.109112 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1062) -1 9.403668 -14.364088 7.676028 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1062) -1 9.836852 -13.676496 7.119020 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1062) -1 10.203443 -14.926106 7.861218 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1063) -1 20.428914 -1.389886 -18.921317 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1063) -1 20.090789 -2.260327 -18.596597 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1063) -1 20.864841 -1.075682 -18.097566 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1064) -1 36.079374 -3.107571 -2.386198 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1064) -1 36.737684 -3.846847 -2.340766 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1064) -1 35.472458 -3.493599 -3.067120 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1065) -1 -19.103176 -17.781035 -13.933808 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1065) -1 -18.366991 -18.361825 -13.631883 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1065) -1 -18.622688 -17.256599 -14.615820 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1066) -1 -6.942169 19.132421 -1.666046 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1066) -1 -6.844185 18.226763 -1.276716 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1066) -1 -6.893689 19.665374 -0.840230 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1067) -1 17.804853 22.226154 2.127581 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1067) -1 17.970715 22.548799 1.230527 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1067) -1 18.003900 21.265370 2.015285 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1068) -1 2.070455 -10.603593 -2.014439 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1068) -1 3.002094 -10.525493 -1.712621 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1068) -1 1.907003 -11.554151 -1.810738 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1069) -1 -19.815025 4.788608 -14.163140 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1069) -1 -20.145979 4.068679 -14.748910 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1069) -1 -19.902970 4.323160 -13.292882 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1070) -1 8.786907 -6.032967 -10.701625 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1070) -1 9.746541 -6.009339 -10.491894 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1070) -1 8.590238 -6.969539 -10.468763 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1071) -1 -7.327346 24.276385 1.167418 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1071) -1 -7.255811 23.834223 0.294122 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1071) -1 -6.958875 23.557227 1.740659 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1072) -1 -14.349835 -7.480838 -13.986463 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1072) -1 -14.734535 -8.168061 -13.392679 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1072) -1 -13.745919 -8.067141 -14.513202 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1073) -1 -14.224236 13.316203 3.179237 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1073) -1 -13.834740 12.582263 2.632552 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1073) -1 -14.579588 13.870320 2.450595 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1074) -1 -11.659559 -18.663133 4.658067 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1074) -1 -12.014187 -19.493612 5.056234 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1074) -1 -11.185705 -18.309900 5.453479 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1075) -1 -19.876576 -3.056007 -14.516694 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1075) -1 -20.459510 -3.020779 -15.306426 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1075) -1 -19.695521 -2.107829 -14.389972 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1077) -1 30.101434 4.674058 11.567964 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1077) -1 29.850325 3.804194 11.187142 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1077) -1 30.874267 4.384311 12.117189 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1078) -1 -10.884349 -19.766153 10.338395 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1078) -1 -10.375765 -19.166752 10.941829 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1078) -1 -11.451568 -19.092901 9.896658 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1079) -1 24.876505 10.739989 -5.371453 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1079) -1 25.236230 11.386234 -6.031085 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1079) -1 24.008549 11.172044 -5.193010 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1080) -1 -22.867282 6.532315 -5.879580 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1080) -1 -23.135753 5.577011 -5.909365 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1080) -1 -23.376681 6.799397 -5.076474 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1081) -1 -7.781128 20.168445 -13.756357 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1081) -1 -7.448089 20.336347 -14.644948 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1081) -1 -8.208426 21.025734 -13.540192 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1082) -1 -28.660625 -17.780162 -8.858762 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1082) -1 -29.075928 -18.041584 -9.710160 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1082) -1 -28.144341 -18.574720 -8.648325 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1083) -1 -5.311695 23.688490 -7.855877 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1083) -1 -5.470408 23.326595 -6.962550 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1083) -1 -5.337995 22.873687 -8.396124 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1084) -1 13.981359 -1.702074 -18.614768 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1084) -1 13.949361 -2.017680 -17.686145 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1084) -1 14.756362 -2.239864 -18.927882 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1085) -1 -2.937450 -4.649922 21.461084 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1085) -1 -3.719398 -4.182717 21.836897 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1085) -1 -2.365251 -3.872207 21.270468 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1086) -1 6.443691 -9.646486 0.757504 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1086) -1 6.340754 -8.873534 1.366691 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1086) -1 6.714563 -10.325248 1.409069 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1087) -1 1.094434 9.423320 2.338139 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1087) -1 1.692307 8.738192 2.746572 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1087) -1 1.265535 10.150752 2.999241 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1089) -1 -17.785783 -21.488350 0.789576 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1089) -1 -17.342985 -20.654604 0.553878 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1089) -1 -17.025844 -21.972946 1.198730 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1090) -1 -19.381556 9.611542 7.145664 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1090) -1 -19.970458 9.031471 6.593294 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1090) -1 -19.083093 8.942339 7.802435 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1091) -1 -27.138283 -18.602964 -1.065153 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1091) -1 -27.558652 -17.703490 -1.111740 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1091) -1 -26.263542 -18.327680 -0.690415 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1092) -1 -24.377081 -0.048448 -9.528594 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1092) -1 -24.418790 -0.918672 -9.077968 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1092) -1 -25.236729 0.328829 -9.261545 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1093) -1 -14.787486 14.252323 -8.154442 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1093) -1 -15.722680 13.908969 -8.188839 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1093) -1 -14.620519 14.304571 -9.125629 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1094) -1 -12.824143 19.849204 -13.418260 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1094) -1 -11.967702 19.371063 -13.558146 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1094) -1 -13.393352 19.062534 -13.214429 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1095) -1 -27.414755 3.575697 -4.428415 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1095) -1 -28.197165 3.268736 -3.921701 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1095) -1 -27.385905 2.862485 -5.115240 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1096) -1 -21.729713 3.525391 12.175588 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1096) -1 -22.312281 3.528330 11.367273 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1096) -1 -22.318680 3.081195 12.801631 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1097) -1 27.664311 10.889365 -8.635712 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1097) -1 27.642253 10.433812 -9.513108 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1097) -1 27.686703 10.078925 -8.057714 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1098) -1 24.002447 -7.700668 -19.899697 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1098) -1 23.405165 -8.161430 -19.276146 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1098) -1 23.976003 -6.793910 -19.540848 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1099) -1 -24.119403 -24.401565 -4.823227 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1099) -1 -23.267071 -24.358574 -5.318316 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1099) -1 -23.989358 -23.635522 -4.218849 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1100) -1 -15.869002 31.384315 -5.336066 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1100) -1 -15.074372 31.737258 -4.872535 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1100) -1 -15.431323 31.024769 -6.144647 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1101) -1 -12.786549 -16.761510 20.137141 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1101) -1 -12.219667 -17.360503 20.636538 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1101) -1 -12.623372 -17.069430 19.215026 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1102) -1 -0.986267 -8.098208 20.550673 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1102) -1 -0.634045 -8.991147 20.448567 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1102) -1 -0.378208 -7.584199 19.978619 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1103) -1 25.706692 6.956013 -7.395672 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1103) -1 25.089200 7.293467 -6.713972 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1103) -1 25.369993 6.048558 -7.516374 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1104) -1 -9.382793 -16.033629 15.624882 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1104) -1 -9.880735 -16.448268 14.867572 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1104) -1 -8.544968 -16.548078 15.553748 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1105) -1 -29.042109 1.463650 -3.544542 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1105) -1 -28.672431 1.403333 -4.455799 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1105) -1 -29.548293 0.607335 -3.538470 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1106) -1 -22.342041 12.795252 -5.317876 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1106) -1 -23.212419 13.164407 -5.119719 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1106) -1 -21.763150 13.575628 -5.171089 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1107) -1 35.833203 -1.793212 6.426952 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1107) -1 35.516472 -1.089381 5.814177 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1107) -1 35.819560 -2.561031 5.808091 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1108) -1 26.818715 3.592709 -15.588471 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1108) -1 26.704484 2.861867 -16.218801 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1108) -1 25.994227 3.448431 -15.033720 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1109) -1 7.964218 -14.845981 -5.302500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1109) -1 8.050517 -15.544530 -5.995571 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1109) -1 6.999961 -14.792608 -5.221807 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1110) -1 -20.021987 15.415691 0.630527 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1110) -1 -19.802702 15.352984 -0.334148 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1110) -1 -19.097748 15.402846 0.982668 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1111) -1 -9.461867 19.833841 4.264279 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1111) -1 -9.468223 19.023407 3.723663 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1111) -1 -10.355033 20.186227 4.085701 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1112) -1 23.115467 -17.550956 6.430383 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1112) -1 22.730363 -17.248717 5.582395 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1112) -1 24.028045 -17.730654 6.174087 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1113) -1 -11.928991 27.617948 5.643058 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1113) -1 -11.751177 26.684501 5.924745 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1113) -1 -11.504527 28.098714 6.370433 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1114) -1 -17.526586 -21.406843 6.975254 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1114) -1 -17.957661 -20.887753 6.256457 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1114) -1 -18.210843 -22.054752 7.174886 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1115) -1 17.314110 -15.911698 6.635878 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1115) -1 18.241729 -15.838237 6.320840 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1115) -1 16.994124 -16.638479 6.049244 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1116) -1 16.505763 17.125389 -8.622680 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1116) -1 15.824224 17.770991 -8.360604 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1116) -1 16.188254 16.331090 -8.138401 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1117) -1 -5.679378 10.558994 12.754497 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1117) -1 -5.639031 10.170286 13.654284 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1117) -1 -5.630265 9.748161 12.208528 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1118) -1 11.593031 0.997809 11.315106 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1118) -1 10.693609 1.308635 11.564495 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1118) -1 11.344196 0.175631 10.821092 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1119) -1 -31.310476 -12.969283 -1.976758 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1119) -1 -31.799925 -12.135953 -2.074029 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1119) -1 -30.885753 -13.008211 -2.882758 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1120) -1 15.515183 -18.445243 -0.301387 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1120) -1 16.311008 -17.888622 -0.118177 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1120) -1 15.795715 -18.817420 -1.177027 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1121) -1 31.809379 5.062215 7.159947 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1121) -1 31.351521 5.530126 7.903921 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1121) -1 31.030033 4.842558 6.604457 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1122) -1 -12.195592 1.395666 -14.436081 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1122) -1 -12.204080 0.421055 -14.333075 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1122) -1 -13.006032 1.614749 -13.905061 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1123) -1 7.780454 -7.890578 -0.915356 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1123) -1 8.028597 -8.285206 -1.782868 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1123) -1 7.443576 -8.682667 -0.453373 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1124) -1 33.866699 0.601317 -2.509459 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1124) -1 33.277124 0.128379 -1.870611 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1124) -1 33.176453 0.932405 -3.134369 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1125) -1 -15.389380 28.370705 0.271031 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1125) -1 -15.742116 27.477964 0.046827 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1125) -1 -16.102029 28.670002 0.885670 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1126) -1 -6.670194 4.262872 13.902984 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1126) -1 -6.193585 3.446683 13.613290 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1126) -1 -6.055333 4.532700 14.634929 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1127) -1 5.960633 -2.468630 -9.404754 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1127) -1 5.790506 -3.272505 -8.834013 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1127) -1 5.414732 -1.824871 -8.891749 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1128) -1 34.852585 0.884645 9.271147 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1128) -1 34.404273 0.945262 8.405327 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1128) -1 35.423444 0.100024 9.122551 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1129) -1 30.173384 -2.813769 14.904757 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1129) -1 30.234007 -2.934557 13.918742 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1129) -1 29.261494 -2.457877 14.947359 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1130) -1 -6.434208 12.795415 -3.296611 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1130) -1 -6.421503 13.739251 -3.066662 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1130) -1 -5.604154 12.502032 -2.832737 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1131) -1 1.096366 -14.503096 -4.678145 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1131) -1 0.744404 -14.827611 -3.818359 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1131) -1 2.023366 -14.297517 -4.399565 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1132) -1 20.496336 8.595802 -12.000675 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1132) -1 20.524404 7.928063 -12.735496 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1132) -1 21.062682 8.124259 -11.348847 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1133) -1 -18.929795 7.484487 11.380017 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1133) -1 -18.831613 7.522249 10.392209 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1133) -1 -19.238693 6.555497 11.466197 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1134) -1 -28.535852 -4.149715 -7.024762 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1134) -1 -27.969188 -3.759759 -6.312560 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1134) -1 -28.499729 -3.435045 -7.681350 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1136) -1 -8.558594 15.244476 5.515445 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1136) -1 -8.066174 15.639267 4.752033 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1136) -1 -9.315341 15.868765 5.558825 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1137) -1 -4.971173 -9.795261 -10.192529 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1137) -1 -4.894241 -8.855549 -10.456603 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1137) -1 -5.234424 -9.654517 -9.235405 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1138) -1 -29.495605 -25.860330 -2.975857 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1138) -1 -29.068501 -26.601374 -3.451497 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1138) -1 -28.875946 -25.777849 -2.212909 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1139) -1 24.142957 11.347930 -12.593674 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1139) -1 23.181672 11.249320 -12.347063 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1139) -1 24.298910 12.223526 -12.153024 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1140) -1 -14.634167 19.207032 6.535926 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1140) -1 -14.522495 18.260846 6.810128 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1140) -1 -13.879765 19.268695 5.909426 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1141) -1 -11.551332 11.834615 -7.322353 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1141) -1 -11.733319 11.380381 -8.179589 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1141) -1 -11.406029 11.036936 -6.755111 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1142) -1 2.216353 -9.839107 3.581507 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1142) -1 1.795406 -9.584538 4.421852 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1142) -1 2.176576 -10.815599 3.635332 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1143) -1 -6.023969 14.178117 15.982992 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1143) -1 -5.512363 13.453081 16.438030 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1143) -1 -6.116286 13.739163 15.100236 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1144) -1 25.999587 -13.676199 -14.453518 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1144) -1 26.043395 -12.890593 -15.050945 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1144) -1 25.308992 -14.196293 -14.918005 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1145) -1 -15.117383 -24.882389 0.778443 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1145) -1 -15.392826 -24.070205 1.264383 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1145) -1 -15.275588 -24.566708 -0.148713 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1146) -1 13.512900 -5.057834 -15.935979 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1146) -1 14.227489 -5.659763 -16.247248 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1146) -1 13.946577 -4.191309 -16.083353 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1147) -1 -14.948374 21.516482 -13.493635 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1147) -1 -15.484258 20.878152 -12.955359 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1147) -1 -14.171013 20.927419 -13.673514 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1148) -1 -6.105386 -19.304994 9.885063 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1148) -1 -6.532279 -18.965909 10.711427 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1148) -1 -5.897209 -18.425864 9.463222 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1149) -1 16.300109 19.631446 -0.365854 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1149) -1 16.100521 19.971847 -1.278277 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1149) -1 16.754546 18.782772 -0.645915 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1150) -1 19.884437 -8.941893 13.772431 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1150) -1 20.190553 -8.108629 13.326503 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1150) -1 19.586874 -9.447127 13.002355 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1151) -1 21.167332 4.244203 -13.649811 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1151) -1 21.010540 4.314065 -12.680044 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1151) -1 21.162511 3.282511 -13.768119 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1152) -1 12.161304 10.102144 13.897936 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1152) -1 13.119658 10.127430 14.124299 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1152) -1 11.942994 9.192043 14.149989 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1153) -1 -5.637840 -11.528705 19.145654 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1153) -1 -6.082237 -11.949827 18.358633 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1153) -1 -5.571950 -12.346179 19.706466 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1154) -1 -6.678620 -16.471379 -11.304636 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1154) -1 -6.201225 -16.784591 -10.493304 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1154) -1 -6.002578 -16.715619 -11.977328 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1155) -1 1.903819 -16.096328 5.912263 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1155) -1 2.620272 -15.492633 5.584500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1155) -1 2.290127 -16.955687 5.673361 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1156) -1 35.254325 2.950113 -2.356552 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1156) -1 34.418017 3.428227 -2.156411 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1156) -1 34.894650 2.044289 -2.493174 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1157) -1 10.442598 -14.967070 1.199749 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1157) -1 10.246006 -14.145223 0.705238 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1157) -1 10.237101 -14.664534 2.117408 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1158) -1 -4.085990 12.072075 -2.245299 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1158) -1 -3.411669 11.876646 -1.562624 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1158) -1 -3.864172 11.375173 -2.906672 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1159) -1 -2.506192 -18.974997 13.359397 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1159) -1 -2.672997 -19.298268 12.441420 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1159) -1 -3.430463 -18.991960 13.699561 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1160) -1 -16.723684 -8.659903 13.641311 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1160) -1 -17.689780 -8.563271 13.417884 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1160) -1 -16.446956 -9.214215 12.880773 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1161) -1 -13.997130 14.372997 -10.755008 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1161) -1 -13.104506 14.754916 -10.602549 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1161) -1 -13.732057 13.464146 -11.049596 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1162) -1 -28.581686 -19.693940 -5.172596 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1162) -1 -28.679142 -18.707783 -5.217797 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1162) -1 -29.535533 -19.936457 -5.108875 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1163) -1 30.220047 12.013539 -1.449326 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1163) -1 30.873396 11.313151 -1.669583 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1163) -1 30.777322 12.800713 -1.450281 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1164) -1 8.775352 -4.112666 7.064017 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1164) -1 8.275008 -3.973776 6.216781 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1164) -1 9.687261 -3.942304 6.719961 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1165) -1 -18.614651 -20.089745 4.897462 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1165) -1 -19.107557 -19.231048 4.896946 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1165) -1 -19.054455 -20.501385 4.104576 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1166) -1 10.101632 14.059503 -12.264842 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1166) -1 10.200701 14.674870 -11.500685 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1166) -1 11.052551 13.796479 -12.371341 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1167) -1 -22.219028 -5.922107 11.395708 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1167) -1 -21.552686 -5.326925 10.962672 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1167) -1 -22.212233 -5.533139 12.289995 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1168) -1 25.906774 12.485400 -7.181638 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1168) -1 26.466915 12.047809 -7.859578 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1168) -1 25.451496 13.155006 -7.736577 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1169) -1 20.318525 -16.432246 -4.028015 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1169) -1 20.216939 -16.663172 -3.077459 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1169) -1 20.784415 -15.564484 -3.932394 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1170) -1 -17.094688 24.314091 3.213547 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1170) -1 -16.814897 23.405478 2.956462 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1170) -1 -17.561458 24.121896 4.053628 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1171) -1 22.796914 3.684806 12.558458 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1171) -1 22.110215 4.134162 12.019621 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1171) -1 23.599007 4.121202 12.227658 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1172) -1 1.376320 11.337099 4.150533 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1172) -1 1.716683 11.417131 5.062529 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1172) -1 0.899836 12.176273 4.043990 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1173) -1 16.690915 6.627629 -16.361832 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1173) -1 17.644937 6.814154 -16.234293 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1173) -1 16.300909 7.368223 -15.848890 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1174) -1 32.334633 -3.056765 9.313249 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1174) -1 32.911099 -2.542969 9.924005 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1174) -1 32.370505 -2.490400 8.522247 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1175) -1 10.563255 2.623242 -18.397641 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1175) -1 10.649632 1.656525 -18.238307 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1175) -1 11.438498 2.931210 -18.070703 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1176) -1 17.397106 -16.999259 -13.559374 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1176) -1 17.369086 -17.017676 -14.547799 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1176) -1 16.440125 -17.039687 -13.359540 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1177) -1 -7.134707 -12.605863 17.233032 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1177) -1 -7.166174 -13.580471 17.346455 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1177) -1 -8.047805 -12.366639 17.491276 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1178) -1 34.587146 -8.076111 2.129248 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1178) -1 34.503017 -7.142685 1.830310 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1178) -1 34.448570 -7.969418 3.084483 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1179) -1 -29.126656 -3.251435 -2.575002 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1179) -1 -28.417059 -3.231861 -1.884899 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1179) -1 -28.910601 -4.109394 -2.997299 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1180) -1 15.624552 -18.507806 -9.999593 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1180) -1 16.611224 -18.415354 -10.025208 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1180) -1 15.481794 -18.413805 -9.032791 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1181) -1 -7.243582 -15.276680 17.857467 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1181) -1 -8.155916 -15.574750 18.046958 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1181) -1 -7.010222 -15.877470 17.117178 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1182) -1 1.992828 -0.405840 13.735061 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1182) -1 1.110833 -0.843053 13.706023 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1182) -1 2.113132 -0.230799 12.772437 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1183) -1 -14.671213 9.925396 -12.402243 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1183) -1 -15.502970 9.639428 -12.805119 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1183) -1 -14.310918 9.055004 -12.099327 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1184) -1 -14.955061 18.418496 11.062678 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1184) -1 -15.744323 18.140021 10.531203 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1184) -1 -15.274968 18.157021 11.957069 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1185) -1 -10.003351 -20.609098 -6.057843 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1185) -1 -10.756233 -21.192738 -6.310381 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1185) -1 -9.328212 -21.304462 -5.855850 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1186) -1 -3.711477 10.156033 -4.113379 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1186) -1 -3.599163 9.228897 -3.780578 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1186) -1 -2.941733 10.163901 -4.747105 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1187) -1 -8.284084 -22.435010 -5.097609 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1187) -1 -7.775343 -23.248477 -5.002668 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1187) -1 -8.233558 -22.071296 -4.182436 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1188) -1 -28.913998 21.191193 -0.798708 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1188) -1 -29.712511 20.695472 -1.034126 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1188) -1 -28.475302 20.528654 -0.196943 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1189) -1 -2.743777 -4.154971 -11.443486 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1189) -1 -3.056374 -4.740164 -12.178195 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1189) -1 -2.033769 -4.704065 -11.074694 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1190) -1 1.134299 -3.390295 -6.463670 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1190) -1 1.458482 -2.667553 -7.036372 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1190) -1 1.704950 -3.261047 -5.673307 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1191) -1 -2.267876 10.890893 8.197965 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1191) -1 -2.740998 10.299999 8.827038 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1191) -1 -2.997031 11.526036 7.995188 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1192) -1 25.838992 -9.374378 10.899265 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1192) -1 25.189117 -9.281889 11.639783 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1192) -1 26.202973 -8.459595 10.892063 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1193) -1 -23.068802 5.716589 -13.078328 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1193) -1 -23.024411 4.778138 -13.392209 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1193) -1 -23.466791 5.567538 -12.192984 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1194) -1 14.294665 -20.924308 -1.744134 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1194) -1 14.392097 -20.603768 -0.837872 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1194) -1 15.049301 -20.484112 -2.188270 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1195) -1 -23.744941 3.852675 6.320650 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1195) -1 -23.030090 4.048231 6.972317 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1195) -1 -23.511457 2.907681 6.119514 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1196) -1 -3.314024 3.274139 -11.861180 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1196) -1 -2.504548 3.669198 -12.218158 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1196) -1 -3.006833 2.358295 -11.679411 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1197) -1 21.821664 -5.185795 -13.922342 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1197) -1 22.153044 -5.177464 -12.989027 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1197) -1 21.535336 -4.250838 -13.994006 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1198) -1 24.302688 -10.764275 1.928036 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1198) -1 24.082212 -11.270824 1.131038 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1198) -1 24.624729 -11.494887 2.514164 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1199) -1 29.763587 -8.351087 -2.221573 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1199) -1 29.334642 -9.207870 -2.467311 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1199) -1 30.695765 -8.577566 -2.469967 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1200) -1 -12.100412 17.846942 16.140665 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1200) -1 -11.188907 18.188557 16.047358 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1200) -1 -11.898448 16.957643 16.524944 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1201) -1 -21.937569 19.145694 6.948694 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1201) -1 -21.961162 18.576552 7.763963 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1201) -1 -22.516279 18.572077 6.377031 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1202) -1 22.504689 -15.510389 8.283943 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1202) -1 22.496251 -15.098010 7.375403 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1202) -1 22.721918 -16.432430 8.012891 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1203) -1 21.585286 11.092554 -11.877089 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1203) -1 21.103411 10.236996 -11.922419 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1203) -1 20.855461 11.715502 -12.070607 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1204) -1 29.134139 1.114019 -7.952370 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1204) -1 29.282770 0.365865 -8.578888 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1204) -1 28.446938 1.608692 -8.452871 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1205) -1 22.742932 16.530923 -9.337598 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1205) -1 22.518487 17.466371 -9.101397 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1205) -1 21.854818 16.124903 -9.164574 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1206) -1 -14.523731 0.126252 18.255523 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1206) -1 -14.948201 0.491900 17.436927 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1206) -1 -15.182795 -0.599867 18.431251 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1207) -1 26.678774 -1.822011 -10.144513 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1207) -1 26.129993 -2.416328 -10.724857 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1207) -1 26.574374 -0.989963 -10.694953 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1208) -1 -7.273856 -18.899811 1.069395 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1208) -1 -6.520001 -18.503976 1.561279 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1208) -1 -7.637387 -19.493080 1.763937 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1209) -1 -0.466006 -14.899514 15.316956 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1209) -1 -1.064147 -15.419288 14.716147 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1209) -1 -0.380865 -15.530062 16.049193 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1210) -1 -18.068520 -3.897749 18.079095 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1210) -1 -19.009626 -4.047958 17.864539 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1210) -1 -17.711223 -4.797993 17.898785 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1211) -1 -10.847227 9.638005 4.116146 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1211) -1 -11.527700 9.347523 3.457179 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1211) -1 -10.082175 9.754415 3.514904 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1212) -1 24.573055 -12.199636 -4.913736 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1212) -1 24.303887 -13.023904 -5.397208 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1212) -1 23.667901 -11.875713 -4.677988 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1213) -1 21.259504 -1.147315 -16.306766 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1213) -1 21.547569 -0.525757 -15.609687 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1213) -1 20.528457 -1.609862 -15.855457 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1214) -1 -6.299888 22.236938 2.645702 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1214) -1 -5.379378 22.008689 2.865170 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1214) -1 -6.739076 21.948420 3.495615 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1215) -1 28.137372 3.752369 -2.336697 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1215) -1 27.906599 3.960712 -1.402345 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1215) -1 29.076994 3.472548 -2.206705 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1216) -1 6.635498 -3.608306 2.154245 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1216) -1 6.726574 -4.446597 1.641407 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1216) -1 5.784500 -3.282611 1.760055 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1217) -1 8.412760 -8.952884 -3.333924 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1217) -1 8.151197 -8.339179 -4.050355 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1217) -1 8.979706 -9.575901 -3.810394 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1218) -1 -4.652574 0.981014 -9.888984 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1218) -1 -3.800459 0.889692 -10.389508 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1218) -1 -4.286597 1.336290 -9.042291 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1219) -1 24.701889 -2.857576 -11.645141 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1219) -1 24.119896 -2.078843 -11.528035 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1219) -1 24.049672 -3.578506 -11.713544 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1220) -1 14.647203 -5.006313 17.056103 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1220) -1 14.039881 -4.350578 16.695533 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1220) -1 15.244095 -5.147991 16.281933 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1221) -1 -19.898525 -6.648097 8.869950 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1221) -1 -19.986494 -5.807793 9.379739 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1221) -1 -19.249554 -6.374026 8.193732 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1222) -1 -23.632201 -2.166550 7.683492 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1222) -1 -23.165876 -1.635774 6.980669 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1222) -1 -22.926696 -2.825910 7.863707 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1223) -1 27.247811 6.267217 -15.673771 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1223) -1 27.106575 5.298480 -15.816378 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1223) -1 26.449547 6.601546 -16.161445 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1224) -1 -14.155854 7.740878 14.083142 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1224) -1 -14.936378 7.808563 13.487442 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1224) -1 -14.103700 6.760246 14.165810 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1225) -1 16.867527 17.153782 5.296511 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1225) -1 16.717698 17.039686 4.323239 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1225) -1 16.971645 16.216904 5.555929 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1226) -1 -27.387331 1.284241 -1.372832 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1226) -1 -28.080272 1.387964 -2.066868 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1226) -1 -27.340978 0.315461 -1.314536 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1227) -1 13.582558 -13.731386 7.209079 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1227) -1 14.571564 -13.808350 7.126108 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1227) -1 13.565435 -12.938386 7.806749 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1228) -1 -8.579814 -13.924026 21.409694 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1228) -1 -8.943275 -13.563303 22.226921 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1228) -1 -9.340401 -13.810647 20.796098 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1229) -1 -22.897109 -17.444386 5.068505 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1229) -1 -23.096537 -18.206908 5.633318 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1229) -1 -22.559880 -16.807044 5.744953 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1230) -1 14.603491 4.004189 12.973365 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1230) -1 14.159233 3.135740 13.097794 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1230) -1 13.834613 4.562412 12.740120 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1231) -1 -19.948516 26.818203 -7.870308 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1231) -1 -19.356677 26.056598 -8.070853 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1231) -1 -20.816432 26.397245 -8.062501 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1232) -1 24.214221 -13.741667 -8.520551 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1232) -1 25.010707 -14.283031 -8.730278 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1232) -1 24.012309 -13.399869 -9.417613 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1233) -1 -24.467281 -7.126226 2.278921 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1233) -1 -24.553238 -6.146188 2.270030 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1233) -1 -23.510812 -7.196367 2.505900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1234) -1 -10.605665 -9.298749 17.153197 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1234) -1 -10.922258 -8.712342 16.448955 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1234) -1 -10.204533 -8.638816 17.770079 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1235) -1 -14.282266 17.648259 -12.772545 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1235) -1 -14.955157 16.947992 -12.581030 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1235) -1 -13.476595 17.071285 -12.795827 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1236) -1 -21.941512 25.065395 -8.746023 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1236) -1 -22.775763 25.159519 -9.229763 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1236) -1 -21.424135 24.522273 -9.395468 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1237) -1 -17.193119 4.524223 -15.126327 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1237) -1 -16.541268 4.672179 -14.416980 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1237) -1 -18.019405 4.808500 -14.694737 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1238) -1 -11.191860 15.373646 16.825997 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1238) -1 -11.872322 14.712413 16.580080 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1238) -1 -10.389320 14.799872 16.821755 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1239) -1 9.041731 -1.586546 8.164025 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1239) -1 8.764925 -2.480406 7.863173 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1239) -1 8.862742 -1.073549 7.341917 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1240) -1 22.358658 0.300051 -14.123110 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1240) -1 22.935689 -0.496063 -14.243797 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1240) -1 23.048092 0.912001 -13.749639 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1241) -1 6.115467 10.883065 -6.298506 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1241) -1 6.801583 11.223888 -5.667870 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1241) -1 6.628348 11.015294 -7.141386 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1242) -1 -23.692892 -19.564252 1.755560 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1242) -1 -24.088879 -20.379753 2.150471 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1242) -1 -22.861696 -19.964369 1.396380 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1243) -1 -12.234420 30.015907 -12.695011 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1243) -1 -12.664059 30.868560 -12.459959 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1243) -1 -12.157272 29.619187 -11.794594 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1244) -1 -13.743312 -17.114443 -12.089041 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1244) -1 -12.911346 -17.467351 -12.498597 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1244) -1 -14.295532 -17.046348 -12.907655 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1245) -1 -15.555156 -17.223384 -14.067922 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1245) -1 -16.115786 -17.932669 -13.690420 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1245) -1 -16.206254 -16.780641 -14.654018 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1246) -1 -14.262867 20.431176 2.889098 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1246) -1 -13.480887 20.559599 3.460459 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1246) -1 -14.287080 19.447022 2.848030 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1247) -1 25.742915 -11.846895 12.115100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1247) -1 25.054597 -11.485169 12.698205 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1247) -1 26.044278 -11.032332 11.662242 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1248) -1 -22.857644 7.572436 -8.338821 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1248) -1 -22.826819 7.231763 -7.406333 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1248) -1 -23.659611 7.095511 -8.643273 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1249) -1 3.683719 -13.338892 12.445964 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1249) -1 2.955670 -13.262189 13.102560 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1249) -1 3.358103 -14.110143 11.928693 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1250) -1 10.354762 -16.820267 4.638420 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1250) -1 10.423745 -17.421699 3.850722 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1250) -1 11.117505 -17.165779 5.157445 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1251) -1 -5.773619 13.511938 3.542744 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1251) -1 -6.486941 13.065361 3.032228 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1251) -1 -5.086361 12.817697 3.526744 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1252) -1 -10.449989 -18.030777 7.000839 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1252) -1 -11.073336 -17.890280 7.747987 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1252) -1 -9.732630 -18.510582 7.460387 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1253) -1 37.492074 -5.364755 -1.909335 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1253) -1 37.842235 -5.510291 -1.002085 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1253) -1 36.838403 -6.100983 -1.953339 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1254) -1 -10.894641 -20.206079 13.271442 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1254) -1 -11.087727 -20.618868 12.410994 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1254) -1 -10.391271 -19.410346 12.963161 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1255) -1 23.320159 7.831426 -13.968967 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1255) -1 22.341748 7.708749 -13.894225 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1255) -1 23.548830 6.927714 -14.306328 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1256) -1 16.306793 16.991759 2.733979 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1256) -1 17.072301 17.044616 2.098248 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1256) -1 15.746271 17.708427 2.343559 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1257) -1 -31.701575 -13.934917 -8.591485 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1257) -1 -31.527283 -14.403460 -9.431424 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1257) -1 -31.097710 -13.172534 -8.680111 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1258) -1 10.225439 -18.330750 -6.041963 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1258) -1 10.471416 -18.730822 -6.914138 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1258) -1 9.467709 -17.777400 -6.337444 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1259) -1 12.891346 3.764184 -17.541328 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1259) -1 13.804968 3.401402 -17.493663 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1259) -1 12.915441 4.353525 -16.743352 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1260) -1 28.370726 8.737456 5.126541 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1260) -1 29.025061 8.053212 4.858579 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1260) -1 27.798953 8.729895 4.317490 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1261) -1 -8.441752 2.352400 20.699820 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1261) -1 -8.156885 2.738668 19.843011 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1261) -1 -9.157671 1.750881 20.372221 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1262) -1 -18.514307 24.907445 1.046493 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1262) -1 -18.908322 23.998850 1.058214 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1262) -1 -17.971343 24.826853 1.878237 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1263) -1 -7.034708 -14.996859 1.034131 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1263) -1 -7.864605 -14.905735 0.528062 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1263) -1 -7.383739 -15.125578 1.941273 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1264) -1 -16.122745 17.546211 13.403503 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1264) -1 -17.000944 17.869459 13.650986 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1264) -1 -16.324626 16.584430 13.261454 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1265) -1 2.630760 -12.590519 3.547826 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1265) -1 3.602784 -12.399200 3.469058 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1265) -1 2.684598 -13.382711 4.125902 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1266) -1 -12.194082 -17.269127 17.563475 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1266) -1 -12.751046 -16.621137 17.073135 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1266) -1 -11.987731 -17.882940 16.804658 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1267) -1 -17.857279 10.224120 4.927288 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1267) -1 -17.063624 10.785468 5.087330 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1267) -1 -18.175756 10.110498 5.848399 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1268) -1 -7.684062 -20.443960 5.504317 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1268) -1 -8.022861 -21.346137 5.716140 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1268) -1 -7.734457 -20.039073 6.397971 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1269) -1 9.595471 -14.633314 -3.144277 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1269) -1 10.060277 -15.501077 -3.230098 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1269) -1 8.999514 -14.700702 -3.928048 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1270) -1 -8.708415 11.903539 15.081471 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1270) -1 -8.665733 10.969551 15.410409 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1270) -1 -9.696620 11.970627 14.978215 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1271) -1 -8.532616 26.838523 -10.589962 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1271) -1 -8.126814 26.602851 -11.455704 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1271) -1 -7.913363 26.349609 -9.990935 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1272) -1 -1.737401 -12.473930 14.993823 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1272) -1 -1.368943 -13.323862 15.331266 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1272) -1 -1.560366 -12.606955 14.028743 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1273) -1 3.777043 6.283813 -6.325183 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1273) -1 3.828115 5.351174 -6.646450 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1273) -1 2.811528 6.303004 -6.097496 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1275) -1 -15.042149 -18.686234 8.517957 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1275) -1 -15.534126 -17.832570 8.417469 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1275) -1 -14.900133 -18.665832 9.488431 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1276) -1 -22.480379 -5.009098 18.443687 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1276) -1 -21.616027 -5.225544 18.012753 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1276) -1 -23.045771 -4.920332 17.664582 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1277) -1 -20.501151 -15.413595 -13.370340 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1277) -1 -20.245506 -16.347267 -13.543425 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1277) -1 -19.827784 -15.223764 -12.643605 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1278) -1 -27.434398 -25.827227 -1.164209 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1278) -1 -27.305916 -25.064196 -0.558715 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1278) -1 -26.612300 -25.755018 -1.701450 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1279) -1 7.955783 -0.488721 -18.032679 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1279) -1 7.575151 -0.035240 -17.250102 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1279) -1 7.720089 -1.417193 -17.831729 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1280) -1 25.936269 -11.486058 -16.031950 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1280) -1 25.638589 -10.617020 -15.660549 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1280) -1 25.546126 -11.400933 -16.934837 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1281) -1 -7.275616 20.161307 -11.071020 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1281) -1 -7.276752 20.012573 -12.046025 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1281) -1 -8.224676 19.975978 -10.884017 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1282) -1 -30.709422 -20.543252 -0.429682 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1282) -1 -30.034932 -20.204035 0.209365 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1282) -1 -31.215816 -19.711760 -0.576716 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1284) -1 12.044323 14.068260 7.923230 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1284) -1 11.379271 14.737496 7.714856 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1284) -1 12.809341 14.400540 7.392048 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1285) -1 -23.495705 4.566116 -1.831492 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1285) -1 -22.909860 4.202122 -2.556672 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1285) -1 -24.292133 3.994131 -2.009632 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1286) -1 -19.181926 11.321974 13.515434 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1286) -1 -19.185370 12.301351 13.559230 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1286) -1 -18.500341 11.124713 14.195531 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1287) -1 -10.778579 -18.685813 2.159654 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1287) -1 -11.223437 -18.576772 3.047689 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1287) -1 -10.009479 -19.234200 2.471667 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1288) -1 10.723655 -17.076311 -3.577261 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1288) -1 10.489753 -17.620278 -4.360810 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1288) -1 10.727074 -17.770782 -2.880941 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1289) -1 34.047879 6.760690 3.615749 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1289) -1 34.431174 7.251525 2.850172 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1289) -1 33.265653 6.363800 3.171168 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1290) -1 13.870322 -14.057659 4.453606 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1290) -1 13.696361 -13.980539 5.413753 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1290) -1 14.446320 -13.275175 4.317805 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1291) -1 18.323210 22.426723 4.846574 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1291) -1 18.207425 22.543806 3.882723 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1291) -1 18.082615 21.484388 4.942538 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1292) -1 -10.837865 -16.413609 -5.375816 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1292) -1 -11.578301 -15.824423 -5.086964 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1292) -1 -11.104948 -16.537975 -6.321398 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1293) -1 -25.312320 2.974811 -8.092054 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1293) -1 -24.684212 2.442639 -7.555625 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1293) -1 -25.936325 2.272701 -8.370184 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1294) -1 -0.564413 -15.559058 4.949503 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1294) -1 0.354531 -15.707074 5.285260 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1294) -1 -1.004783 -16.332758 5.388250 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1295) -1 7.700309 0.908720 -11.473945 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1295) -1 6.964297 0.264857 -11.593300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1295) -1 8.464280 0.302577 -11.576160 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1296) -1 -1.393046 -1.787299 -11.070496 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1296) -1 -2.019690 -2.465995 -11.421861 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1296) -1 -0.908689 -2.372732 -10.424435 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1297) -1 19.722731 9.804681 -16.341195 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1297) -1 19.402955 10.052808 -15.443963 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1297) -1 20.356208 10.546667 -16.494961 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1298) -1 -9.412607 -17.634039 0.113568 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1298) -1 -8.554066 -18.024434 0.427003 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1298) -1 -9.980157 -17.906573 0.879489 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1299) -1 18.964899 10.201859 -13.744329 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1299) -1 19.445657 9.573107 -13.161549 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1299) -1 18.040381 10.006325 -13.473869 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1300) -1 -1.245822 -16.152114 8.870471 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1300) -1 -2.074255 -16.367328 9.372412 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1300) -1 -1.583766 -15.396641 8.329342 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1301) -1 -7.749352 25.090086 -5.032349 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1301) -1 -7.336636 25.764080 -5.622052 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1301) -1 -7.108237 24.351615 -5.159870 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1302) -1 -20.701120 17.622451 2.071161 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1302) -1 -20.569160 16.860521 1.447405 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1302) -1 -19.773251 17.644991 2.438979 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1303) -1 -9.204117 18.226968 -2.978673 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1303) -1 -9.271875 17.268823 -2.758528 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1303) -1 -8.386896 18.454723 -2.481563 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1304) -1 -18.067245 10.820401 -0.843964 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1304) -1 -18.705420 10.626456 -0.124830 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1304) -1 -17.377257 11.302326 -0.346315 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1305) -1 23.964401 -9.369900 12.821165 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1305) -1 23.196532 -8.940723 12.352051 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1305) -1 23.529963 -9.482318 13.706053 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1306) -1 -11.677088 30.264355 -3.191811 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1306) -1 -11.045532 29.894745 -3.861110 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1306) -1 -11.198216 29.964282 -2.373213 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1307) -1 -18.678487 7.502185 8.731888 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1307) -1 -19.216107 6.979050 8.092739 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1307) -1 -17.804914 7.485907 8.294639 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1308) -1 19.876544 15.597494 -4.040683 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1308) -1 19.467960 14.702895 -4.033406 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1308) -1 20.036759 15.696158 -5.013905 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1309) -1 16.059474 12.249923 14.852724 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1309) -1 16.864231 12.469307 14.335056 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1309) -1 15.391220 12.764213 14.344628 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1310) -1 8.183601 12.984573 -10.567802 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1310) -1 8.968752 12.848129 -9.981665 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1310) -1 8.645573 13.327023 -11.365914 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1311) -1 4.154676 -4.129277 16.228028 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1311) -1 5.105617 -4.183437 16.390944 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1311) -1 4.127612 -3.437380 15.524662 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1312) -1 33.113309 10.398008 -6.139743 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1312) -1 33.774211 9.967719 -5.547637 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1312) -1 32.344611 10.434629 -5.533026 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1313) -1 -10.580696 18.332379 -13.304084 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1313) -1 -9.807503 18.059072 -13.821314 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1313) -1 -11.032044 17.461397 -13.176905 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1314) -1 -10.847496 -21.859111 3.927183 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1314) -1 -11.541800 -22.129020 3.283096 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1314) -1 -11.432747 -21.505154 4.644006 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1315) -1 17.544015 -5.473774 -18.185395 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1315) -1 17.838860 -6.402679 -18.317703 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1315) -1 16.767738 -5.645337 -17.596389 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1316) -1 -20.787360 10.817306 -4.028404 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1316) -1 -21.288847 10.080389 -3.597961 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1316) -1 -21.529090 11.326312 -4.411674 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1317) -1 -12.302211 10.406539 -9.520539 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1317) -1 -12.882492 10.019969 -8.812400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1317) -1 -11.885430 9.571538 -9.834502 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1318) -1 -19.627831 27.330952 0.655453 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1318) -1 -19.244513 26.443472 0.854394 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1318) -1 -19.390918 27.399173 -0.298192 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1319) -1 22.009648 -16.545627 -12.480037 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1319) -1 21.801965 -16.179479 -13.370651 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1319) -1 21.214804 -17.116451 -12.354445 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1320) -1 4.890208 13.239060 -5.720166 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1320) -1 5.211346 12.362764 -6.030666 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1320) -1 4.107011 12.953801 -5.203472 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1321) -1 -8.328321 14.820856 1.067128 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1321) -1 -9.263482 14.781747 0.776047 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1321) -1 -8.213296 13.907385 1.408994 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1322) -1 -23.104957 -2.061281 3.873983 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1322) -1 -23.559985 -1.371581 3.333853 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1322) -1 -22.893705 -1.507179 4.674266 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1323) -1 3.906657 -2.315553 14.210971 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1323) -1 3.371640 -1.482960 14.222798 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1323) -1 4.211130 -2.270581 13.265009 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1324) -1 -31.221156 -20.150663 -4.709747 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1324) -1 -31.255536 -19.207558 -4.419467 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1324) -1 -31.726392 -20.559010 -3.964821 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1325) -1 -11.922899 16.588656 -4.246305 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1325) -1 -11.295005 16.139419 -4.865038 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1325) -1 -11.915180 17.486111 -4.634228 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1326) -1 -1.430585 10.503752 2.051897 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1326) -1 -0.589704 10.011872 1.943838 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1326) -1 -1.677077 10.647643 1.114567 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1327) -1 -5.567617 21.741094 -9.818083 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1327) -1 -4.746945 21.231125 -9.913845 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1327) -1 -6.214667 21.087953 -10.199930 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1328) -1 -23.624359 -9.200444 -9.447586 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1328) -1 -23.091947 -9.816762 -10.003974 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1328) -1 -23.057323 -8.400155 -9.503623 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1329) -1 -12.000455 16.138071 -12.741452 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1329) -1 -11.797685 15.917709 -11.794484 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1329) -1 -12.006195 15.206865 -13.097576 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1330) -1 27.489687 -12.968586 -7.874047 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1330) -1 27.239540 -13.788288 -8.351175 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1330) -1 26.866583 -12.332918 -8.272156 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1331) -1 -20.952005 20.847302 9.128513 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1331) -1 -21.323071 20.556678 8.276790 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1331) -1 -20.053617 21.131571 8.855488 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1332) -1 16.655999 4.994434 -18.560069 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1332) -1 16.609792 5.650882 -17.824652 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1332) -1 16.288388 4.209013 -18.100275 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1333) -1 -11.420418 3.578075 18.758980 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1333) -1 -11.138896 3.938264 19.627439 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1333) -1 -12.376833 3.428301 18.938562 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1334) -1 -10.987053 16.520559 5.766550 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1334) -1 -11.105705 16.574009 6.740049 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1334) -1 -11.647636 15.822905 5.551684 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1335) -1 -28.154427 -16.094219 -0.831284 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1335) -1 -28.951902 -15.992691 -1.404539 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1335) -1 -28.219745 -15.251713 -0.325663 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1336) -1 -16.304093 -8.673499 16.311412 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1336) -1 -16.446829 -8.670575 15.336326 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1336) -1 -16.070387 -9.595730 16.464078 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1337) -1 28.393433 2.201399 -11.831597 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1337) -1 28.411721 2.995483 -12.423734 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1337) -1 29.340553 1.997445 -11.789261 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1338) -1 -2.719342 -18.424551 1.159242 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1338) -1 -3.625346 -18.258221 1.478957 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1338) -1 -2.758034 -19.361007 0.928155 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1339) -1 -22.080437 17.113044 8.769333 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1339) -1 -21.472216 16.340428 8.878707 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1339) -1 -22.891539 16.623316 8.492626 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1340) -1 31.935509 11.424931 -8.309598 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1340) -1 32.463646 11.097754 -7.540172 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1340) -1 32.230567 10.820752 -9.001430 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1341) -1 -10.532102 29.106247 -1.032744 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1341) -1 -11.241938 29.134663 -0.348673 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1341) -1 -10.072273 28.279937 -0.747116 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1342) -1 -6.945093 -10.769456 -11.908829 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1342) -1 -6.634082 -11.566171 -12.365491 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1342) -1 -6.155923 -10.494809 -11.410520 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1343) -1 -10.095287 29.005368 -4.956959 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1343) -1 -9.979654 28.051484 -5.185720 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1343) -1 -9.330178 29.102422 -4.329331 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1344) -1 -14.383430 5.061691 17.490464 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1344) -1 -15.255917 5.219594 17.066691 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1344) -1 -14.610771 4.358293 18.124162 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1345) -1 17.533314 16.955230 -3.486904 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1345) -1 18.467913 16.645159 -3.549631 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1345) -1 17.523680 17.192904 -2.516559 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1346) -1 34.542495 7.866309 1.175919 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1346) -1 33.903567 8.586734 0.952433 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1346) -1 34.229812 7.182433 0.532965 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1347) -1 -18.538788 27.299869 -14.182769 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1347) -1 -18.900242 26.456124 -14.546351 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1347) -1 -18.388542 27.022739 -13.255821 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1348) -1 -16.737247 7.607844 13.021872 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1348) -1 -16.996323 6.666328 13.200777 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1348) -1 -17.451179 7.826419 12.371310 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1349) -1 -8.282556 -21.492705 -2.577339 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1349) -1 -8.912508 -20.812574 -2.212330 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1349) -1 -7.440678 -21.051174 -2.287926 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1350) -1 -9.179856 -7.760843 18.840310 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1350) -1 -8.631377 -8.483215 19.226704 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1350) -1 -8.893652 -7.021394 19.433425 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1351) -1 27.549989 13.195015 8.381556 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1351) -1 27.576535 12.681688 7.553762 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1351) -1 26.611771 13.492101 8.380931 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1352) -1 22.330986 -16.215503 4.072584 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1352) -1 21.478431 -15.893343 3.700851 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1352) -1 22.448029 -15.531426 4.787493 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1353) -1 10.481620 12.119949 -3.576227 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1353) -1 10.781350 12.225792 -2.634319 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1353) -1 11.340049 11.828699 -3.969449 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1354) -1 16.199056 9.548257 12.062990 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1354) -1 17.181360 9.615100 12.029058 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1354) -1 15.983674 10.428638 11.644867 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1355) -1 11.472182 -6.449027 5.317068 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1355) -1 11.681836 -7.376745 5.065971 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1355) -1 10.984024 -6.614632 6.160080 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1356) -1 30.246189 -9.157916 -5.967260 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1356) -1 29.422521 -8.762933 -5.609062 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1356) -1 29.946296 -10.088420 -6.080362 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1357) -1 -2.433527 -13.420290 -4.349912 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1357) -1 -3.239011 -13.463698 -3.800548 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1357) -1 -2.163985 -14.366679 -4.328873 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1358) -1 12.580759 14.897327 2.004104 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1358) -1 13.424491 14.712210 2.506122 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1358) -1 12.487323 15.852990 2.279008 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1359) -1 20.801884 4.762647 -10.967076 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1359) -1 20.129145 4.910798 -10.280894 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1359) -1 21.325626 5.594366 -10.880241 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1360) -1 21.534239 -16.265439 -6.582338 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1360) -1 20.969995 -16.598099 -7.301255 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1360) -1 21.052384 -16.575615 -5.795225 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1361) -1 22.632015 12.009610 10.779730 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1361) -1 21.967190 12.443092 11.376250 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1361) -1 22.578397 12.659643 10.027672 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1362) -1 21.419333 -15.151534 -14.738353 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1362) -1 21.159437 -14.221513 -14.983479 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1362) -1 20.674182 -15.618612 -15.232791 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1363) -1 10.597393 -0.064478 -18.162269 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1363) -1 9.611635 -0.141368 -18.286789 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1363) -1 10.715211 -0.827979 -17.544946 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1364) -1 23.309560 -3.024410 -16.813917 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1364) -1 22.570005 -2.382521 -16.854966 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1364) -1 23.702467 -2.772486 -15.950888 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1365) -1 -19.247539 19.319855 -9.379150 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1365) -1 -18.938742 18.966471 -10.241327 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1365) -1 -19.096677 18.517879 -8.822144 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1366) -1 6.228971 -7.850186 -11.596407 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1366) -1 5.925414 -7.402709 -10.772526 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1366) -1 6.946356 -8.406858 -11.222499 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1367) -1 -6.819932 -16.873996 15.502863 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1367) -1 -6.736648 -16.421158 14.621484 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1367) -1 -6.221615 -17.636276 15.327869 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1368) -1 -5.827929 23.099252 -5.156038 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1368) -1 -4.942348 23.159623 -4.760313 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1368) -1 -6.189510 22.331392 -4.643524 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1369) -1 -27.108664 -23.374049 0.025235 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1369) -1 -26.385440 -22.910125 -0.472435 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1369) -1 -27.880519 -23.052645 -0.503450 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1370) -1 13.235745 7.943972 8.615079 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1370) -1 13.814159 7.652556 9.359604 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1370) -1 12.798954 7.081731 8.408375 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1371) -1 -14.968954 14.269381 0.609137 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1371) -1 -14.129897 13.871777 0.232814 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1371) -1 -15.520841 13.442636 0.573138 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1372) -1 -5.122374 4.726580 16.046263 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1372) -1 -4.342475 4.138815 16.159530 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1372) -1 -5.403016 4.813654 16.985325 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1373) -1 22.274953 -9.474770 14.941950 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1373) -1 21.396428 -9.332617 14.515713 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1373) -1 22.045260 -9.362087 15.872679 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1374) -1 -17.380139 13.000298 -4.923236 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1374) -1 -17.646213 12.455136 -5.696362 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1374) -1 -16.416689 12.796466 -4.896079 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1375) -1 28.660056 -10.656898 -3.238903 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1375) -1 28.950688 -11.141387 -4.047640 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1375) -1 27.884083 -11.229781 -2.997478 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1376) -1 -10.392996 -21.054264 8.006845 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1376) -1 -9.541084 -20.555523 7.964237 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1376) -1 -10.656026 -20.806093 8.930646 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1377) -1 31.905656 1.782281 -4.005022 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1377) -1 31.079363 1.620991 -4.532546 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1377) -1 32.303258 2.485300 -4.576086 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1378) -1 -10.421847 21.459142 9.009585 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1378) -1 -11.392615 21.598627 8.956108 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1378) -1 -10.375150 21.030914 9.903010 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1379) -1 -1.719635 9.681708 -5.793988 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1379) -1 -0.863567 9.259369 -5.559717 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1379) -1 -2.130468 8.963351 -6.318797 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1380) -1 -26.926306 -3.418597 -1.020098 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1380) -1 -26.306055 -4.001513 -1.512137 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1380) -1 -26.307252 -3.031621 -0.363965 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1381) -1 -22.930036 -4.752899 21.102430 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1381) -1 -21.995683 -4.638004 21.305337 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1381) -1 -22.897753 -4.868894 20.124327 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1382) -1 -9.561100 17.373031 -9.424010 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1382) -1 -8.688305 16.943690 -9.390503 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1382) -1 -9.636305 17.667810 -8.478045 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1383) -1 -4.911817 -16.942483 -9.343161 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1383) -1 -4.067476 -16.585843 -9.691473 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1383) -1 -4.668734 -17.094784 -8.407030 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1384) -1 20.250452 7.210271 11.854072 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1384) -1 20.763177 8.033894 11.698488 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1384) -1 19.435153 7.568273 12.234577 L 1 944 1.0 2 1.0 3 1.0 4 1.0 2 3 4 5 1.0 6 1.0 7 1.0 5 6 7 8 1.0 9 1.0 8 9 10 1013 1.0 11 1.0 1015 1.0 12 1.0 11 12 13 1.0 14 1.0 13 14 15 1.0 16 1.0 15 16 17 1.0 18 1.0 22 1.0 17 18 19 1.0 20 1.0 21 1.0 19 20 21 22 23 1.0 24 1.0 23 24 25 1.0 26 1.0 25 26 27 1.0 28 1.0 29 1.0 27 28 29 30 1.0 31 1.0 30 31 32 1.0 33 1.0 32 33 34 1.0 35 1.0 46 1.0 34 35 36 1.0 37 1.0 38 1.0 36 37 38 39 1.0 44 1.0 39 40 1.0 41 1.0 40 41 42 1.0 43 1.0 42 43 44 1.0 44 45 1.0 45 46 47 1.0 48 1.0 47 48 49 1.0 50 1.0 49 50 51 1.0 52 1.0 151 1.0 51 52 53 1.0 54 1.0 55 1.0 53 54 55 56 1.0 56 57 1981 1.0 58 1.0 59 1.0 60 1.0 58 59 60 61 1.0 62 1.0 61 62 63 1.0 66 1.0 63 64 1.0 65 1.0 64 65 66 67 1.0 68 1.0 67 68 69 70 1.0 73 1.0 77 1.0 78 1.0 70 71 1.0 72 1.0 71 72 73 74 1.0 75 1.0 76 1.0 74 75 76 77 78 79 1.0 80 1.0 81 1.0 79 80 81 82 1.0 83 1.0 84 1.0 82 83 84 85 1.0 123 1.0 85 86 1.0 122 1.0 86 87 1.0 111 1.0 121 1.0 87 88 1.0 109 1.0 110 1.0 88 89 1.0 89 90 1.0 90 91 1.0 107 1.0 108 1.0 91 92 1.0 99 1.0 106 1.0 92 93 1.0 98 1.0 93 94 1.0 97 1.0 94 3780 1.0 95 1.0 96 1.0 95 96 97 98 99 100 1.0 105 1.0 100 101 1.0 104 1.0 101 3783 1.0 102 1.0 103 1.0 102 103 104 105 106 107 108 109 110 111 112 1.0 113 1.0 112 113 114 1.0 120 1.0 114 115 1.0 118 1.0 119 1.0 115 116 1.0 117 1.0 116 117 118 119 120 121 122 123 124 125 1.0 126 1.0 125 126 1.0 126 127 128 1.0 129 1.0 128 129 1.0 129 130 131 1.0 132 1.0 131 132 1.0 132 133 134 1.0 135 1.0 134 135 1.0 135 136 137 1.0 138 1.0 137 138 1.0 138 139 140 1.0 141 1.0 140 141 1.0 141 142 143 1.0 144 1.0 143 144 1.0 144 145 146 1.0 147 1.0 146 147 1.0 147 148 149 1.0 150 1.0 149 150 1.0 150 151 152 1.0 153 1.0 152 153 154 1.0 1033 1.0 154 155 1401 1.0 156 1.0 157 1.0 158 1.0 156 157 158 159 1.0 160 1.0 161 1.0 159 160 161 162 1.0 163 1.0 164 1.0 162 163 164 165 166 1.0 167 1.0 166 167 1.0 167 168 169 1.0 170 1.0 169 170 1.0 170 171 172 1.0 173 1.0 172 173 1.0 173 174 175 1.0 176 1.0 175 176 1.0 176 177 178 1.0 179 1.0 178 179 1.0 179 180 181 1.0 182 1.0 181 182 1.0 182 183 184 1.0 185 1.0 184 185 1.0 185 186 187 1.0 188 1.0 187 188 1.0 188 189 190 1.0 191 1.0 190 191 1.0 191 192 193 1.0 194 1.0 193 194 1.0 194 195 196 1.0 197 1.0 196 197 1.0 197 198 199 1.0 200 1.0 199 200 1.0 200 201 202 1.0 203 1.0 202 203 1.0 203 204 205 1.0 206 1.0 207 1.0 208 1.0 205 206 207 208 209 1.0 210 1.0 221 1.0 209 210 211 1.0 212 1.0 213 1.0 211 212 213 214 1.0 215 1.0 216 1.0 214 215 216 217 1.0 217 218 1.0 219 1.0 220 1.0 218 219 220 221 222 1.0 223 1.0 222 223 224 1.0 225 1.0 224 225 226 1.0 227 1.0 240 1.0 226 227 228 1.0 229 1.0 230 1.0 228 229 230 231 1.0 232 1.0 236 1.0 231 232 233 1.0 234 1.0 235 1.0 233 234 235 236 237 1.0 238 1.0 239 1.0 237 238 239 240 241 1.0 242 1.0 241 242 243 1.0 244 1.0 243 244 245 1.0 246 1.0 264 1.0 245 246 247 1.0 248 1.0 249 1.0 247 248 249 250 1.0 251 1.0 252 1.0 250 251 252 253 1.0 254 1.0 255 1.0 253 254 255 256 1.0 257 1.0 256 257 258 1.0 261 1.0 258 259 1.0 260 1.0 259 260 261 262 1.0 263 1.0 262 263 264 265 1.0 266 1.0 265 266 267 1.0 268 1.0 267 268 269 1.0 270 1.0 288 1.0 269 270 271 1.0 272 1.0 273 1.0 271 272 273 274 1.0 275 1.0 276 1.0 274 275 276 277 1.0 278 1.0 279 1.0 277 278 279 280 1.0 281 1.0 280 281 282 1.0 285 1.0 282 283 1.0 284 1.0 283 284 285 286 1.0 287 1.0 286 287 288 289 1.0 290 1.0 289 290 291 1.0 292 1.0 291 292 293 1.0 294 1.0 298 1.0 293 294 295 1.0 296 1.0 297 1.0 295 296 297 298 299 1.0 300 1.0 299 300 301 1.0 302 1.0 301 302 303 1.0 304 1.0 317 1.0 303 304 305 1.0 306 1.0 307 1.0 305 306 307 308 1.0 309 1.0 313 1.0 308 309 310 1.0 311 1.0 312 1.0 310 311 312 313 314 1.0 315 1.0 316 1.0 314 315 316 317 318 1.0 319 1.0 318 319 320 1.0 321 1.0 320 321 322 1.0 323 1.0 336 1.0 322 323 324 1.0 325 1.0 326 1.0 324 325 326 327 1.0 328 1.0 332 1.0 327 328 329 1.0 330 1.0 331 1.0 329 330 331 332 333 1.0 334 1.0 335 1.0 333 334 335 336 337 1.0 338 1.0 337 338 339 1.0 340 1.0 339 340 341 1.0 342 1.0 347 1.0 341 342 343 1.0 344 1.0 345 1.0 343 344 345 346 1.0 346 347 348 1.0 349 1.0 348 349 350 1.0 351 1.0 350 351 352 1.0 353 1.0 366 1.0 352 353 354 1.0 355 1.0 356 1.0 354 355 356 357 1.0 358 1.0 362 1.0 357 358 359 1.0 360 1.0 361 1.0 359 360 361 362 363 1.0 364 1.0 365 1.0 363 364 365 366 367 1.0 368 1.0 367 368 369 1.0 370 1.0 369 370 371 1.0 372 1.0 376 1.0 371 372 373 1.0 374 1.0 375 1.0 373 374 375 376 377 1.0 378 1.0 377 378 379 1.0 380 1.0 379 380 381 1.0 382 1.0 392 1.0 381 382 383 1.0 384 1.0 388 1.0 383 384 385 1.0 386 1.0 387 1.0 385 386 387 388 389 1.0 390 1.0 391 1.0 389 390 391 392 393 1.0 394 1.0 393 394 395 1.0 396 1.0 395 396 397 1.0 398 1.0 402 1.0 397 398 399 1.0 400 1.0 401 1.0 399 400 401 402 403 1.0 404 1.0 403 404 405 1.0 406 1.0 405 406 407 1.0 408 1.0 412 1.0 407 408 409 1.0 410 1.0 411 1.0 409 410 411 412 413 1.0 414 1.0 413 414 415 1.0 416 1.0 415 416 417 1.0 418 1.0 431 1.0 417 418 419 1.0 420 1.0 421 1.0 419 420 421 422 1.0 423 1.0 427 1.0 422 423 424 1.0 425 1.0 426 1.0 424 425 426 427 428 1.0 429 1.0 430 1.0 428 429 430 431 432 1.0 433 1.0 432 433 434 1.0 435 1.0 434 435 436 1.0 437 1.0 447 1.0 436 437 438 1.0 439 1.0 443 1.0 438 439 440 1.0 441 1.0 442 1.0 440 441 442 443 444 1.0 445 1.0 446 1.0 444 445 446 447 448 1.0 449 1.0 448 449 450 1.0 451 1.0 450 451 452 1.0 453 1.0 471 1.0 452 453 454 1.0 455 1.0 456 1.0 454 455 456 457 1.0 458 1.0 459 1.0 457 458 459 460 1.0 461 1.0 462 1.0 460 461 462 463 1.0 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545 546 547 548 1.0 549 1.0 548 549 550 1.0 551 1.0 550 551 552 1.0 553 1.0 562 1.0 552 553 554 1.0 555 1.0 556 1.0 554 555 556 557 1.0 558 1.0 559 1.0 557 558 559 560 1.0 561 1.0 560 561 562 563 1.0 564 1.0 563 564 565 1.0 566 1.0 565 566 567 1.0 568 1.0 574 1.0 567 568 569 1.0 570 1.0 571 1.0 569 570 571 572 1.0 573 1.0 572 573 574 575 1.0 576 1.0 575 576 577 1.0 578 1.0 577 578 579 1.0 580 1.0 591 1.0 579 580 581 1.0 582 1.0 583 1.0 581 582 583 584 1.0 589 1.0 584 585 1.0 586 1.0 585 586 587 1.0 588 1.0 587 588 589 1.0 589 590 1.0 590 591 592 1.0 593 1.0 592 593 594 1.0 595 1.0 594 595 596 1.0 597 1.0 607 1.0 596 597 598 1.0 599 1.0 603 1.0 598 599 600 1.0 601 1.0 602 1.0 600 601 602 603 604 1.0 605 1.0 606 1.0 604 605 606 607 608 1.0 609 1.0 608 609 610 1.0 611 1.0 610 611 612 1.0 613 1.0 626 1.0 612 613 614 1.0 615 1.0 616 1.0 614 615 616 617 1.0 618 1.0 622 1.0 617 618 619 1.0 620 1.0 621 1.0 619 620 621 622 623 1.0 624 1.0 625 1.0 623 624 625 626 627 1.0 628 1.0 627 628 629 1.0 630 1.0 629 630 631 1.0 632 1.0 642 1.0 631 632 633 1.0 634 1.0 638 1.0 633 634 635 1.0 636 1.0 637 1.0 635 636 637 638 639 1.0 640 1.0 641 1.0 639 640 641 642 643 1.0 644 1.0 643 644 645 1.0 646 1.0 645 646 647 1.0 648 1.0 661 1.0 647 648 649 1.0 650 1.0 651 1.0 649 650 651 652 1.0 653 1.0 657 1.0 652 653 654 1.0 655 1.0 656 1.0 654 655 656 657 658 1.0 659 1.0 660 1.0 658 659 660 661 662 1.0 663 1.0 662 663 664 1.0 665 1.0 664 665 666 1.0 667 1.0 685 1.0 666 667 668 1.0 669 1.0 670 1.0 668 669 670 671 1.0 672 1.0 673 1.0 671 672 673 674 1.0 675 1.0 676 1.0 674 675 676 677 1.0 678 1.0 677 678 679 1.0 682 1.0 679 680 1.0 681 1.0 680 681 682 683 1.0 684 1.0 683 684 685 686 1.0 687 1.0 686 687 688 1.0 689 1.0 688 689 690 1.0 691 1.0 707 1.0 690 691 692 1.0 693 1.0 694 1.0 692 693 694 695 1.0 696 1.0 697 1.0 695 696 697 698 1.0 699 1.0 700 1.0 698 699 700 701 1.0 702 1.0 703 1.0 701 702 703 704 1.0 705 1.0 706 1.0 704 705 706 707 708 1.0 709 1.0 708 709 710 1.0 711 1.0 710 711 712 1.0 713 1.0 718 1.0 712 713 714 1.0 715 1.0 716 1.0 714 715 716 717 1.0 717 718 719 1.0 720 1.0 719 720 721 1.0 722 1.0 721 722 723 1.0 724 1.0 732 1.0 723 724 725 1.0 726 1.0 727 1.0 725 726 727 728 1.0 729 1.0 728 729 730 1.0 731 1.0 730 731 732 733 1.0 734 1.0 733 734 735 1.0 736 1.0 735 736 737 1.0 738 1.0 752 1.0 737 738 739 1.0 740 1.0 741 1.0 739 740 741 742 1.0 750 1.0 742 743 1.0 744 1.0 743 744 745 1.0 746 1.0 745 746 747 1.0 748 1.0 747 748 749 1.0 750 1.0 749 750 751 1.0 751 752 753 1.0 754 1.0 753 754 755 1.0 756 1.0 755 756 757 1.0 758 1.0 762 1.0 757 758 759 1.0 760 1.0 761 1.0 759 760 761 762 763 1.0 764 1.0 763 764 765 1.0 766 1.0 765 766 767 1.0 768 1.0 777 1.0 767 768 769 1.0 770 1.0 771 1.0 769 770 771 772 1.0 773 1.0 774 1.0 772 773 774 775 1.0 776 1.0 775 776 777 778 1.0 779 1.0 778 779 780 1.0 781 1.0 780 781 782 1.0 783 1.0 787 1.0 782 783 784 1.0 785 1.0 786 1.0 784 785 786 787 788 1.0 789 1.0 788 789 790 1.0 791 1.0 790 791 792 1.0 793 1.0 806 1.0 792 793 794 1.0 795 1.0 796 1.0 794 795 796 797 1.0 798 1.0 802 1.0 797 798 799 1.0 800 1.0 801 1.0 799 800 801 802 803 1.0 804 1.0 805 1.0 803 804 805 806 807 1.0 808 1.0 807 808 809 1.0 810 1.0 809 810 811 1.0 812 1.0 816 1.0 811 812 813 1.0 814 1.0 815 1.0 813 814 815 816 817 1.0 818 1.0 817 818 819 1.0 820 1.0 819 820 821 1.0 822 1.0 826 1.0 821 822 823 1.0 824 1.0 825 1.0 823 824 825 826 827 1.0 828 1.0 827 828 829 1.0 830 1.0 829 830 831 1.0 832 1.0 843 1.0 831 832 833 1.0 834 1.0 835 1.0 833 834 835 836 1.0 841 1.0 836 837 1.0 838 1.0 837 838 839 1.0 840 1.0 839 840 841 1.0 841 842 1.0 842 843 844 1.0 845 1.0 844 845 846 1.0 847 1.0 846 847 848 1.0 849 1.0 865 1.0 848 849 850 1.0 851 1.0 852 1.0 850 851 852 853 1.0 854 1.0 855 1.0 853 854 855 856 1.0 857 1.0 858 1.0 856 857 858 859 1.0 860 1.0 861 1.0 859 860 861 862 1.0 863 1.0 864 1.0 862 863 864 865 866 1.0 867 1.0 866 867 868 1.0 869 1.0 868 869 870 1.0 871 1.0 886 1.0 870 871 872 1.0 873 1.0 874 1.0 872 873 874 875 1.0 884 1.0 875 876 1.0 877 1.0 876 877 878 1.0 879 1.0 878 879 880 1.0 882 1.0 880 881 1.0 881 882 883 1.0 884 1.0 883 884 885 1.0 885 886 887 1.0 888 1.0 887 888 889 1.0 890 1.0 889 890 891 1.0 892 1.0 905 1.0 891 892 893 1.0 894 1.0 895 1.0 893 894 895 896 1.0 897 1.0 901 1.0 896 897 898 1.0 899 1.0 900 1.0 898 899 900 901 902 1.0 903 1.0 904 1.0 902 903 904 905 906 1.0 907 1.0 906 907 908 1.0 909 1.0 908 909 910 1.0 911 1.0 924 1.0 910 911 912 1.0 913 1.0 914 1.0 912 913 914 915 1.0 916 1.0 920 1.0 915 916 917 1.0 918 1.0 919 1.0 917 918 919 920 921 1.0 922 1.0 923 1.0 921 922 923 924 925 1.0 926 1.0 925 926 927 1.0 928 1.0 927 928 929 1.0 930 1.0 940 1.0 929 930 931 1.0 932 1.0 936 1.0 931 932 933 1.0 934 1.0 935 1.0 933 934 935 936 937 1.0 938 1.0 939 1.0 937 938 939 940 941 1.0 942 1.0 941 942 943 1.0 944 1.0 943 944 945 1.0 946 1.0 945 946 947 1.0 948 1.0 947 948 949 1.0 950 1.0 949 950 951 1.0 952 1.0 966 1.0 951 952 953 1.0 954 1.0 955 1.0 953 954 955 956 1.0 964 1.0 956 957 1.0 958 1.0 957 958 959 1.0 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1107 1.0 1108 1.0 1107 1108 1109 1.0 1110 1.0 1119 1.0 1109 1110 1111 1.0 1112 1.0 1113 1.0 1111 1112 1113 1114 1.0 1115 1.0 1116 1.0 1114 1115 1116 1117 1.0 1118 1.0 1117 1118 1119 1120 1.0 1121 1.0 1120 1121 1122 1.0 1123 1.0 1122 1123 1124 1.0 1125 1.0 1140 1.0 1124 1125 1126 1.0 1127 1.0 1128 1.0 1126 1127 1128 1129 1.0 1138 1.0 1129 1130 1.0 1131 1.0 1130 1131 1132 1.0 1133 1.0 1132 1133 1134 1.0 1136 1.0 1134 1135 1.0 1135 1136 1137 1.0 1138 1.0 1137 1138 1139 1.0 1139 1140 1141 1.0 1142 1.0 1141 1142 1143 1.0 1144 1.0 1143 1144 1145 1.0 1146 1.0 1150 1.0 1145 1146 1147 1.0 1148 1.0 1149 1.0 1147 1148 1149 1150 1151 1.0 1152 1.0 1151 1152 1153 1.0 1154 1.0 1153 1154 1155 1.0 1156 1.0 1172 1.0 1155 1156 1157 1.0 1158 1.0 1159 1.0 1157 1158 1159 1160 1.0 1161 1.0 1162 1.0 1160 1161 1162 1163 1.0 1164 1.0 1165 1.0 1163 1164 1165 1166 1.0 1167 1.0 1168 1.0 1166 1167 1168 1169 1.0 1170 1.0 1171 1.0 1169 1170 1171 1172 1173 1.0 1174 1.0 1173 1174 1175 1.0 1176 1.0 1175 1176 1177 1.0 1178 1.0 1182 1.0 1177 1178 1179 1.0 1180 1.0 1181 1.0 1179 1180 1181 1182 1183 1.0 1184 1.0 1183 1184 1185 1.0 1186 1.0 1185 1186 1187 1.0 1188 1.0 1192 1.0 1187 1188 1189 1.0 1190 1.0 1191 1.0 1189 1190 1191 1192 1193 1.0 1194 1.0 1193 1194 1195 1.0 1196 1.0 1195 1196 1197 1.0 1198 1.0 1199 1.0 1197 1198 1199 1200 1.0 1201 1.0 1200 1201 1202 1.0 1203 1.0 1202 1203 1204 1.0 1205 1.0 1221 1.0 1204 1205 1206 1.0 1207 1.0 1208 1.0 1206 1207 1208 1209 1.0 1210 1.0 1211 1.0 1209 1210 1211 1212 1.0 1213 1.0 1214 1.0 1212 1213 1214 1215 1.0 1216 1.0 1217 1.0 1215 1216 1217 1218 1.0 1219 1.0 1220 1.0 1218 1219 1220 1221 1222 1.0 1223 1.0 1222 1223 1224 1.0 1225 1.0 1224 1225 1226 1.0 1227 1.0 1240 1.0 1226 1227 1228 1.0 1229 1.0 1230 1.0 1228 1229 1230 1231 1.0 1232 1.0 1236 1.0 1231 1232 1233 1.0 1234 1.0 1235 1.0 1233 1234 1235 1236 1237 1.0 1238 1.0 1239 1.0 1237 1238 1239 1240 1241 1.0 1242 1.0 1241 1242 1243 1.0 1244 1.0 1243 1244 1245 1.0 1246 1.0 1262 1.0 1245 1246 1247 1.0 1248 1.0 1249 1.0 1247 1248 1249 1250 1.0 1251 1.0 1252 1.0 1250 1251 1252 1253 1.0 1254 1.0 1255 1.0 1253 1254 1255 1256 1.0 1257 1.0 1258 1.0 1256 1257 1258 1259 1.0 1260 1.0 1261 1.0 1259 1260 1261 1262 1263 1.0 1264 1.0 1263 1264 1265 1.0 1266 1.0 1265 1266 1267 1.0 1268 1.0 1272 1.0 1267 1268 1269 1.0 1270 1.0 1271 1.0 1269 1270 1271 1272 1273 1.0 1274 1.0 1273 1274 1275 1.0 1276 1.0 1275 1276 1277 1.0 1278 1.0 1287 1.0 1277 1278 1279 1.0 1280 1.0 1281 1.0 1279 1280 1281 1282 1.0 1283 1.0 1284 1.0 1282 1283 1284 1285 1.0 1286 1.0 1285 1286 1287 1288 1.0 1289 1.0 1288 1289 1290 1.0 1291 1.0 1290 1291 1292 1.0 1293 1.0 1294 1.0 1292 1293 1294 1295 1.0 1296 1.0 1295 1296 1297 1.0 1298 1.0 1297 1298 1299 1.0 1300 1.0 1305 1.0 1299 1300 1301 1.0 1302 1.0 1303 1.0 1301 1302 1303 1304 1.0 1304 1305 1306 1.0 1307 1.0 1306 1307 1308 1.0 1309 1.0 1308 1309 1310 1.0 1311 1.0 1320 1.0 1310 1311 1312 1.0 1313 1.0 1314 1.0 1312 1313 1314 1315 1.0 1316 1.0 1317 1.0 1315 1316 1317 1318 1.0 1319 1.0 1318 1319 1320 1321 1.0 1322 1.0 1321 1322 1323 1.0 1324 1.0 1323 1324 1325 1.0 1326 1.0 1339 1.0 1325 1326 1327 1.0 1328 1.0 1332 1.0 1327 1328 1329 1.0 1330 1.0 1331 1.0 1329 1330 1331 1332 1333 1.0 1334 1.0 1335 1.0 1333 1334 1335 1336 1.0 1337 1.0 1338 1.0 1336 1337 1338 1339 1340 1.0 1341 1.0 1340 1341 1342 1.0 1343 1.0 1342 1343 1344 1.0 1345 1.0 1363 1.0 1344 1345 1346 1.0 1347 1.0 1348 1.0 1346 1347 1348 1349 1.0 1350 1.0 1351 1.0 1349 1350 1351 1352 1.0 1353 1.0 1354 1.0 1352 1353 1354 1355 1.0 1356 1.0 1355 1356 1357 1.0 1360 1.0 1357 1358 1.0 1359 1.0 1358 1359 1360 1361 1.0 1362 1.0 1361 1362 1363 1364 1.0 1365 1.0 1364 1365 1366 1.0 1367 1.0 1366 1367 1368 1.0 1369 1.0 1382 1.0 1368 1369 1370 1.0 1371 1.0 1372 1.0 1370 1371 1372 1373 1.0 1374 1.0 1378 1.0 1373 1374 1375 1.0 1376 1.0 1377 1.0 1375 1376 1377 1378 1379 1.0 1380 1.0 1381 1.0 1379 1380 1381 1382 1383 1.0 1384 1.0 1383 1384 1385 1.0 1386 1.0 1385 1386 1387 1.0 1388 1.0 1392 1.0 1387 1388 1389 1.0 1390 1.0 1391 1.0 1389 1390 1391 1392 1393 1.0 1394 1.0 1393 1394 1395 1.0 1396 1.0 1395 1396 1397 1.0 1398 1.0 1404 1.0 1397 1398 1399 1.0 1400 1.0 1401 1.0 1399 1400 1401 1402 1.0 1403 1.0 1402 1403 1404 1405 1.0 1406 1.0 1405 1406 1407 1.0 1408 1.0 1407 1408 1409 1.0 1410 1.0 1420 1.0 1409 1410 1411 1.0 1412 1.0 1416 1.0 1411 1412 1413 1.0 1414 1.0 1415 1.0 1413 1414 1415 1416 1417 1.0 1418 1.0 1419 1.0 1417 1418 1419 1420 1421 1.0 1422 1.0 1421 1422 1423 1.0 1424 1.0 1423 1424 1425 1.0 1426 1.0 1432 1.0 1425 1426 1427 1.0 1428 1.0 1429 1.0 1427 1428 1429 1430 1.0 1431 1.0 1430 1431 1432 1433 1.0 1434 1.0 1433 1434 1435 1.0 1436 1.0 1435 1436 1437 1.0 1438 1.0 1442 1.0 1437 1438 1439 1.0 1440 1.0 1441 1.0 1439 1440 1441 1442 1443 1.0 1444 1.0 1443 1444 1445 1.0 1446 1.0 1445 1446 1447 1.0 1448 1.0 1456 1.0 1447 1448 1449 1.0 1450 1.0 1454 1.0 1449 1450 1451 1.0 1452 1.0 1453 1.0 1451 1452 1453 1454 1455 1.0 1455 1456 1457 1.0 1458 1.0 1457 1458 1459 1.0 1460 1.0 1459 1460 1461 1.0 1462 1.0 1471 1.0 1461 1462 1463 1.0 1464 1.0 1465 1.0 1463 1464 1465 1466 1.0 1467 1.0 1468 1.0 1466 1467 1468 1469 1.0 1470 1.0 1469 1470 1471 1472 1.0 1473 1.0 1472 1473 1474 1.0 1475 1.0 1474 1475 1476 1.0 1477 1.0 1486 1.0 1476 1477 1478 1.0 1479 1.0 1480 1.0 1478 1479 1480 1481 1.0 1482 1.0 1483 1.0 1481 1482 1483 1484 1.0 1485 1.0 1484 1485 1486 1487 1.0 1488 1.0 1487 1488 1489 1.0 1490 1.0 1489 1490 1491 1.0 1492 1.0 1497 1.0 1491 1492 1493 1.0 1494 1.0 1495 1.0 1493 1494 1495 1496 1.0 1496 1497 1498 1.0 1499 1.0 1498 1499 1500 1.0 1501 1.0 1500 1501 1502 1.0 1503 1.0 1509 1.0 1502 1503 1504 1.0 1505 1.0 1506 1.0 1504 1505 1506 1507 1.0 1508 1.0 1507 1508 1509 1510 1.0 1511 1.0 1510 1511 1512 1.0 1513 1.0 1512 1513 1514 1.0 1515 1.0 1528 1.0 1514 1515 1516 1.0 1517 1.0 1518 1.0 1516 1517 1518 1519 1.0 1520 1.0 1524 1.0 1519 1520 1521 1.0 1522 1.0 1523 1.0 1521 1522 1523 1524 1525 1.0 1526 1.0 1527 1.0 1525 1526 1527 1528 1529 1.0 1530 1.0 1529 1530 1531 1.0 1532 1.0 1531 1532 1533 1.0 1534 1.0 1538 1.0 1533 1534 1535 1.0 1536 1.0 1537 1.0 1535 1536 1537 1538 1539 1.0 1540 1.0 1539 1540 1541 1.0 1542 1.0 1541 1542 1543 1.0 1544 1.0 1555 1.0 1543 1544 1545 1.0 1546 1.0 1547 1.0 1545 1546 1547 1548 1.0 1549 1.0 1550 1.0 1548 1549 1550 1551 1.0 1552 1.0 1551 1552 1553 1.0 1554 1.0 1553 1554 1555 1556 1.0 1557 1.0 1556 1557 1558 1.0 1559 1.0 1558 1559 1560 1.0 1561 1.0 1572 1.0 1560 1561 1562 1.0 1563 1.0 1564 1.0 1562 1563 1564 1565 1.0 1566 1.0 1567 1.0 1565 1566 1567 1568 1.0 1569 1.0 1568 1569 1570 1.0 1571 1.0 1570 1571 1572 1573 1.0 1574 1.0 1573 1574 1575 1.0 1576 1.0 1575 1576 1577 1.0 1578 1.0 1593 1.0 1577 1578 1579 1.0 1580 1.0 1581 1.0 1579 1580 1581 1582 1.0 1591 1.0 1582 1583 1.0 1584 1.0 1583 1584 1585 1.0 1586 1.0 1585 1586 1587 1.0 1589 1.0 1587 1588 1.0 1588 1589 1590 1.0 1591 1.0 1590 1591 1592 1.0 1592 1593 1594 1.0 1595 1.0 1594 1595 1596 1.0 1597 1.0 1596 1597 1598 1.0 1599 1.0 1600 1.0 1598 1599 1600 1601 1.0 1602 1.0 1601 1602 1603 1.0 1604 1.0 1603 1604 1605 1.0 1606 1.0 1616 1.0 1605 1606 1607 1.0 1608 1.0 1612 1.0 1607 1608 1609 1.0 1610 1.0 1611 1.0 1609 1610 1611 1612 1613 1.0 1614 1.0 1615 1.0 1613 1614 1615 1616 1617 1.0 1618 1.0 1617 1618 1619 1.0 1620 1.0 1619 1620 1621 1.0 1622 1.0 1640 1.0 1621 1622 1623 1.0 1624 1.0 1625 1.0 1623 1624 1625 1626 1.0 1627 1.0 1628 1.0 1626 1627 1628 1629 1.0 1630 1.0 1631 1.0 1629 1630 1631 1632 1.0 1633 1.0 1632 1633 1634 1.0 1637 1.0 1634 1635 1.0 1636 1.0 1635 1636 1637 1638 1.0 1639 1.0 1638 1639 1640 1641 1.0 1642 1.0 1641 1642 1643 1.0 1644 1.0 1643 1644 1645 1.0 1646 1.0 1647 1.0 1645 1646 1647 1648 1.0 1649 1.0 1648 1649 1650 1.0 1651 1.0 1650 1651 1652 1.0 1653 1.0 1668 1.0 1652 1653 1654 1.0 1655 1.0 1656 1.0 1654 1655 1656 1657 1.0 1666 1.0 1657 1658 1.0 1659 1.0 1658 1659 1660 1.0 1661 1.0 1660 1661 1662 1.0 1664 1.0 1662 1663 1.0 1663 1664 1665 1.0 1666 1.0 1665 1666 1667 1.0 1667 1668 1669 1.0 1670 1.0 1669 1670 1671 1.0 1680 1.0 1671 1672 1.0 1673 1.0 1674 1.0 1672 1673 1674 1675 1.0 1676 1.0 1677 1.0 1675 1676 1677 1678 1.0 1679 1.0 1680 1.0 1678 1679 1680 1681 1.0 1682 1.0 1681 1682 1683 1.0 1684 1.0 1683 1684 1685 1.0 1686 1.0 1685 1686 1687 1.0 1688 1.0 1696 1.0 1687 1688 1689 1.0 1690 1.0 1694 1.0 1689 1690 1691 1.0 1692 1.0 1693 1.0 1691 1692 1693 1694 1695 1.0 1695 1696 1697 1.0 1698 1.0 1697 1698 1699 1.0 1700 1.0 1699 1700 1701 1.0 1702 1.0 1715 1.0 1701 1702 1703 1.0 1704 1.0 1708 1.0 1703 1704 1705 1.0 1706 1.0 1707 1.0 1705 1706 1707 1708 1709 1.0 1710 1.0 1711 1.0 1709 1710 1711 1712 1.0 1713 1.0 1714 1.0 1712 1713 1714 1715 1716 1.0 1717 1.0 1716 1717 1718 1.0 1719 1.0 1718 1719 1720 1.0 1721 1.0 1737 1.0 1720 1721 1722 1.0 1723 1.0 1724 1.0 1722 1723 1724 1725 1.0 1726 1.0 1727 1.0 1725 1726 1727 1728 1.0 1729 1.0 1730 1.0 1728 1729 1730 1731 1.0 1732 1.0 1733 1.0 1731 1732 1733 1734 1.0 1735 1.0 1736 1.0 1734 1735 1736 1737 1738 1.0 1739 1.0 1738 1739 1740 1.0 1741 1.0 1740 1741 1742 1.0 1743 1.0 1757 1.0 1742 1743 1744 1.0 1745 1.0 1746 1.0 1744 1745 1746 1747 1.0 1755 1.0 1747 1748 1.0 1749 1.0 1748 1749 1750 1.0 1751 1.0 1750 1751 1752 1.0 1753 1.0 1752 1753 1754 1.0 1755 1.0 1754 1755 1756 1.0 1756 1757 1758 1.0 1759 1.0 1758 1759 1760 1.0 1761 1.0 1760 1761 1762 1.0 1763 1.0 1777 1.0 1762 1763 1764 1.0 1765 1.0 1766 1.0 1764 1765 1766 1767 1.0 1775 1.0 1767 1768 1.0 1769 1.0 1768 1769 1770 1.0 1771 1.0 1770 1771 1772 1.0 1773 1.0 1772 1773 1774 1.0 1775 1.0 1774 1775 1776 1.0 1776 1777 1778 1.0 1779 1.0 1778 1779 1780 1.0 1781 1.0 1780 1781 1782 1.0 1783 1.0 1801 1.0 1782 1783 1784 1.0 1785 1.0 1786 1.0 1784 1785 1786 1787 1.0 1788 1.0 1789 1.0 1787 1788 1789 1790 1.0 1791 1.0 1792 1.0 1790 1791 1792 1793 1.0 1794 1.0 1793 1794 1795 1.0 1798 1.0 1795 1796 1.0 1797 1.0 1796 1797 1798 1799 1.0 1800 1.0 1799 1800 1801 1802 1.0 1803 1.0 1802 1803 1804 1.0 1805 1.0 1804 1805 1806 1.0 1807 1.0 1815 1.0 1806 1807 1808 1.0 1809 1.0 1810 1.0 1808 1809 1810 1811 1.0 1812 1.0 1811 1812 1813 1.0 1814 1.0 1813 1814 1815 1816 1.0 1817 1.0 1816 1817 1818 1.0 1819 1.0 1818 1819 1820 1.0 1821 1.0 1822 1.0 1820 1821 1822 1823 1.0 1824 1.0 1823 1824 1825 1.0 1826 1.0 1825 1826 1827 1.0 1828 1.0 1834 1.0 1827 1828 1829 1.0 1830 1.0 1831 1.0 1829 1830 1831 1832 1.0 1833 1.0 1832 1833 1834 1835 1.0 1836 1.0 1835 1836 1837 1.0 1838 1.0 1837 1838 1839 1.0 1840 1.0 1848 1.0 1839 1840 1841 1.0 1842 1.0 1846 1.0 1841 1842 1843 1.0 1844 1.0 1845 1.0 1843 1844 1845 1846 1847 1.0 1847 1848 1849 1.0 1850 1.0 1849 1850 1851 1.0 1852 1.0 1851 1852 1853 1.0 1854 1.0 1858 1.0 1853 1854 1855 1.0 1856 1.0 1857 1.0 1855 1856 1857 1858 1859 1.0 1860 1.0 1859 1860 1861 1.0 1862 1.0 1861 1862 1863 1.0 1864 1.0 1869 1.0 1863 1864 1865 1.0 1866 1.0 1867 1.0 1865 1866 1867 1868 1.0 1868 1869 1870 1.0 1871 1.0 1870 1871 1872 1.0 1881 1.0 1872 1873 1.0 1874 1.0 1875 1.0 1873 1874 1875 1876 1.0 1877 1.0 1878 1.0 1876 1877 1878 1879 1.0 1880 1.0 1881 1.0 1879 1880 1881 1882 1.0 1883 1.0 1882 1883 1884 1.0 1885 1.0 1884 1885 1886 1.0 1887 1.0 1886 1887 1888 1.0 1889 1.0 1905 1.0 1888 1889 1890 1.0 1891 1.0 1892 1.0 1890 1891 1892 1893 1.0 1894 1.0 1895 1.0 1893 1894 1895 1896 1.0 1897 1.0 1898 1.0 1896 1897 1898 1899 1.0 1900 1.0 1901 1.0 1899 1900 1901 1902 1.0 1903 1.0 1904 1.0 1902 1903 1904 1905 1906 1.0 1907 1.0 1906 1907 1908 1.0 1909 1.0 1908 1909 1910 1.0 1911 1.0 1920 1.0 1910 1911 1912 1.0 1913 1.0 1914 1.0 1912 1913 1914 1915 1.0 1916 1.0 1917 1.0 1915 1916 1917 1918 1.0 1919 1.0 1918 1919 1920 1921 1.0 1922 1.0 1921 1922 1923 1.0 1924 1.0 1923 1924 1925 1.0 1926 1.0 1941 1.0 1925 1926 1927 1.0 1928 1.0 1929 1.0 1927 1928 1929 1930 1.0 1939 1.0 1930 1931 1.0 1932 1.0 1931 1932 1933 1.0 1934 1.0 1933 1934 1935 1.0 1937 1.0 1935 1936 1.0 1936 1937 1938 1.0 1939 1.0 1938 1939 1940 1.0 1940 1941 1942 1.0 1943 1.0 1942 1943 1944 1.0 1945 1.0 1944 1945 1946 1.0 1947 1.0 1955 1.0 1946 1947 1948 1.0 1949 1.0 1953 1.0 1948 1949 1950 1.0 1951 1.0 1952 1.0 1950 1951 1952 1953 1954 1.0 1954 1955 1956 1.0 1957 1.0 1956 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6941 1.0 6941 6942 6943 1.0 6944 1.0 6943 6944 1.0 6944 6945 6946 1.0 6947 1.0 6946 6947 1.0 6947 6948 6949 1.0 6950 1.0 6949 6950 1.0 6950 6951 6952 1.0 6953 1.0 6952 6953 1.0 6953 6954 6955 1.0 6956 1.0 6955 6956 1.0 6956 6957 6958 1.0 6959 1.0 6958 6959 1.0 6959 6960 6961 1.0 6962 1.0 6961 6962 1.0 6962 6963 6964 1.0 6965 1.0 6964 6965 1.0 6965 6966 6967 1.0 6968 1.0 6967 6968 1.0 6968 6969 6970 1.0 6971 1.0 6970 6971 1.0 6971 6972 6973 1.0 6974 1.0 6973 6974 1.0 6974 6975 6976 1.0 6977 1.0 6976 6977 1.0 6977 6978 6979 1.0 6980 1.0 6979 6980 1.0 6980 6981 6982 1.0 6983 1.0 6982 6983 1.0 6983 6984 6985 1.0 6986 1.0 6985 6986 1.0 6986 6987 6988 1.0 6989 1.0 6988 6989 1.0 6989 6990 6991 1.0 6992 1.0 6991 6992 1.0 6992 6993 6994 1.0 6995 1.0 6994 6995 1.0 6995 6996 6997 1.0 6998 1.0 6997 6998 1.0 6998 6999 7000 1.0 7001 1.0 7000 7001 1.0 7001 7002 7003 1.0 7004 1.0 7003 7004 1.0 7004 7005 7006 1.0 7007 1.0 7006 7007 1.0 7007 7008 7009 1.0 7010 1.0 7009 7010 1.0 7010 7011 7012 1.0 7013 1.0 7012 7013 1.0 7013 7014 7015 1.0 7016 1.0 7015 7016 1.0 7016 7017 7018 1.0 7019 1.0 7018 7019 1.0 7019 7020 7021 1.0 7022 1.0 7021 7022 1.0 7022 7023 7024 1.0 7025 1.0 7024 7025 1.0 7025 7026 7027 1.0 7028 1.0 7027 7028 1.0 7028 7029 7030 1.0 7031 1.0 7030 7031 1.0 7031 7032 7033 1.0 7034 1.0 7033 7034 1.0 7034 7035 7036 1.0 7037 1.0 7036 7037 1.0 7037 7038 7039 1.0 7040 1.0 7039 7040 1.0 7040 7041 7042 1.0 7043 1.0 7042 7043 1.0 7043 7044 7045 1.0 7046 1.0 7045 7046 1.0 7046 7047 7048 1.0 7049 1.0 7048 7049 1.0 7049 7050 7051 1.0 7052 1.0 7051 7052 1.0 7052 7053 7054 1.0 7055 1.0 7054 7055 1.0 7055 7056 7057 1.0 7058 1.0 7057 7058 1.0 7058 7059 7060 1.0 7061 1.0 7060 7061 1.0 7061 7062 7063 1.0 7064 1.0 7063 7064 1.0 7064 7065 7066 1.0 7067 1.0 7066 7067 1.0 7067 7068 7069 1.0 7070 1.0 7069 7070 1.0 7070 7071 7072 1.0 7073 1.0 7072 7073 1.0 7073 7074 7075 1.0 7076 1.0 7075 7076 1.0 7076 7077 7078 1.0 7079 1.0 7078 7079 1.0 7079 7080 7081 1.0 7082 1.0 7081 7082 1.0 7082 7083 7084 1.0 7085 1.0 7084 7085 1.0 7085 7086 7087 1.0 7088 1.0 7087 7088 1.0 7088 7089 7090 1.0 7091 1.0 7090 7091 1.0 7091 7092 7093 1.0 7094 1.0 7093 7094 1.0 7094 7095 7096 1.0 7097 1.0 7096 7097 1.0 7097 7098 7099 1.0 7100 1.0 7099 7100 1.0 7100 7101 7102 1.0 7103 1.0 7102 7103 1.0 7103 7104 7105 1.0 7106 1.0 7105 7106 1.0 7106 7107 7108 1.0 7109 1.0 7108 7109 1.0 7109 7110 7111 1.0 7112 1.0 7111 7112 1.0 7112 7113 7114 1.0 7115 1.0 7114 7115 1.0 7115 7116 7117 1.0 7118 1.0 7117 7118 1.0 7118 7119 7120 1.0 7121 1.0 7120 7121 1.0 7121 7122 7123 1.0 7124 1.0 7123 7124 1.0 7124 7125 7126 1.0 7127 1.0 7126 7127 1.0 7127 7128 7129 1.0 7130 1.0 7129 7130 1.0 7130 7131 7132 1.0 7133 1.0 7132 7133 1.0 7133 7134 7135 1.0 7136 1.0 7135 7136 1.0 7136 7137 7138 1.0 7139 1.0 7138 7139 1.0 7139 7140 7141 1.0 7142 1.0 7141 7142 1.0 7142 7143 7144 1.0 7145 1.0 7144 7145 1.0 7145 7146 7147 1.0 7148 1.0 7147 7148 1.0 7148 7149 7150 1.0 7151 1.0 7150 7151 1.0 7151 7152 7153 1.0 7154 1.0 7153 7154 1.0 7154 7155 7156 1.0 7157 1.0 7156 7157 1.0 7157 7158 7159 1.0 7160 1.0 7159 7160 1.0 7160 7161 7162 1.0 7163 1.0 7162 7163 1.0 7163 7164 7165 1.0 7166 1.0 7165 7166 1.0 7166 VDW C* 1.9080 0.0860 VDW H5 1.3590 0.0150 VDW H4 1.4090 0.0150 VDW HA 1.4590 0.0150 VDW H1 1.3870 0.0157 VDW N3 1.8240 0.1700 VDW N2 1.8240 0.1700 VDW O2 1.6612 0.2100 VDW CN 1.9080 0.0860 VDW NA 1.8240 0.1700 VDW NB 1.8240 0.1700 VDW HS 0.6000 0.0157 VDW HP 1.1000 0.0157 VDW CB 1.9080 0.0860 VDW CC 1.9080 0.0860 VDW OW 1.7683 0.1520 VDW CA 1.9080 0.0860 VDW S 2.0000 0.2500 VDW OH 1.7210 0.2104 VDW CW 1.9080 0.0860 VDW N 1.8240 0.1700 VDW O 1.6612 0.2100 VDW SH 2.0000 0.2500 VDW HC 1.4870 0.0157 VDW H 0.6000 0.0157 VDW CR 1.9080 0.0860 VDW CV 1.9080 0.0860 VDW C 1.9080 0.0860 VDW CT 1.9080 0.1094 HrmStr1 CT H1 340.00 1.0900 HrmStr1 CT HC 340.00 1.0900 HrmStr1 CT HP 340.00 1.0900 HrmStr1 N3 H 434.00 1.0100 HrmStr1 N H 434.00 1.0100 HrmStr1 N2 H 434.00 1.0100 HrmStr1 SH HS 274.00 1.3360 HrmStr1 CV H4 367.00 1.0800 HrmStr1 CR H5 367.00 1.0800 HrmStr1 NA H 434.00 1.0100 HrmStr1 OH HO 553.00 0.9600 HrmStr1 CA HA 367.00 1.0800 HrmStr1 CW H4 367.00 1.0800 HrmStr1 HW HW 553.00 1.5136 HrmStr1 OW HW 553.00 0.9572 HrmStr1 C O 570.00 1.2290 HrmStr1 C N 490.00 1.3350 HrmStr1 S CT 227.00 1.8100 HrmStr1 CT CT 310.00 1.5260 HrmStr1 CT C 317.00 1.5220 HrmStr1 N3 CT 367.00 1.4710 HrmStr1 N CT 337.00 1.4490 HrmStr1 CA N2 481.00 1.3400 HrmStr1 CT N2 337.00 1.4630 HrmStr1 CT SH 237.00 1.8100 HrmStr1 C O2 656.00 1.2500 HrmStr1 NB CV 410.00 1.3940 HrmStr1 CR NB 488.00 1.3350 HrmStr1 NA CR 477.00 1.3430 HrmStr1 CC NA 422.00 1.3850 HrmStr1 CC CV 512.00 1.3750 HrmStr1 CT CC 317.00 1.5040 HrmStr1 CT OH 320.00 1.4100 HrmStr1 CA CA 469.00 1.4000 HrmStr1 CT CA 317.00 1.5100 HrmStr1 C OH 450.00 1.3640 HrmStr1 C CA 469.00 1.4090 HrmStr1 CA CB 469.00 1.4040 HrmStr1 CN CA 469.00 1.4000 HrmStr1 CN CB 447.00 1.4190 HrmStr1 NA CN 428.00 1.3800 HrmStr1 CW NA 427.00 1.3810 HrmStr1 C* CW 546.00 1.3520 HrmStr1 C* CB 388.00 1.4590 HrmStr1 CT C* 317.00 1.4950 HrmStr1 S S 166.00 2.0380 HrmBnd1 HW HW OW 0.00 0.00 HrmBnd1 HW OW HW 0.00 0.00 HrmBnd1 H1 CT HC 35.00 109.5000 #mimick H1-CT-HC HrmBnd1 C N H 50.00 120.0001 HrmBnd1 H1 CT H1 35.00 109.5000 HrmBnd1 S CT H1 50.00 109.5000 HrmBnd1 HC CT CT 50.00 109.5000 HrmBnd1 HC CT HC 35.00 109.5000 HrmBnd1 CT CT H1 50.00 109.5000 HrmBnd1 HP CT CT 50.00 109.5000 HrmBnd1 HP CT C 50.00 109.5000 HrmBnd1 H N3 CT 50.00 109.5000 HrmBnd1 H N3 H 35.00 109.5000 HrmBnd1 N3 CT HP 50.00 109.5000 HrmBnd1 H1 CT C 50.00 109.5000 HrmBnd1 H N CT 50.00 118.0401 HrmBnd1 N CT H1 50.00 109.5000 HrmBnd1 H N2 H 35.00 120.0001 HrmBnd1 CA N2 H 50.00 120.0001 HrmBnd1 H1 CT N2 50.00 109.5000 HrmBnd1 CT N2 H 50.00 118.4001 HrmBnd1 H1 CT SH 50.00 109.5000 HrmBnd1 CT SH HS 43.00 96.0000 HrmBnd1 HC CT C 50.00 109.5000 HrmBnd1 NB CV H4 50.00 120.0001 HrmBnd1 H5 CR NB 50.00 120.0001 HrmBnd1 H NA CR 50.00 120.0001 HrmBnd1 NA CR H5 50.00 120.0001 HrmBnd1 CC NA H 50.00 120.0001 HrmBnd1 CC CV H4 50.00 120.0001 HrmBnd1 HC CT CC 50.00 109.5000 HrmBnd1 HP CT HP 35.00 109.5000 HrmBnd1 H1 CT OH 50.00 109.5000 HrmBnd1 CT OH HO 55.00 108.5000 HrmBnd1 H N H 35.00 120.0001 HrmBnd1 HA CA CA 50.00 120.0001 HrmBnd1 HC CT CA 50.00 109.5000 HrmBnd1 C OH HO 50.00 113.0000 HrmBnd1 C CA HA 50.00 120.0001 HrmBnd1 HA CA CB 50.00 120.0001 HrmBnd1 CN CA HA 50.00 120.0001 HrmBnd1 H NA CN 50.00 123.1001 HrmBnd1 H4 CW NA 50.00 120.0001 HrmBnd1 CW NA H 50.00 120.0001 HrmBnd1 C* CW H4 50.00 120.0001 HrmBnd1 HC CT C* 50.00 109.5000 HrmBnd1 O C N 80.00 122.9001 HrmBnd1 C N CT 50.00 121.9001 HrmBnd1 CT S CT 62.00 98.9000 HrmBnd1 CT CT C 63.00 111.1000 HrmBnd1 CT CT S 50.00 114.7000 HrmBnd1 CT CT CT 40.00 109.5000 HrmBnd1 CT C O 80.00 120.4001 HrmBnd1 CT C N 70.00 116.6000 HrmBnd1 N3 CT CT 80.00 111.2000 HrmBnd1 N3 CT C 80.00 111.2000 HrmBnd1 N CT CT 80.00 109.7000 HrmBnd1 N CT C 63.00 110.1000 HrmBnd1 N2 CA N2 70.00 120.0001 HrmBnd1 CT N2 CA 50.00 123.2001 HrmBnd1 CT CT N2 80.00 111.2000 HrmBnd1 CT CT SH 50.00 108.6000 HrmBnd1 O2 C O2 80.00 126.0001 HrmBnd1 CT C O2 70.00 117.0001 HrmBnd1 CT N CT 50.00 118.0001 HrmBnd1 CR NB CV 70.00 117.0001 HrmBnd1 NA CC CV 70.00 120.0001 HrmBnd1 NA CR NB 70.00 120.0001 HrmBnd1 CC NA CR 70.00 120.0001 HrmBnd1 CC CV NB 70.00 120.0001 HrmBnd1 CT CC NA 70.00 120.0001 HrmBnd1 CT CC CV 70.00 120.0001 HrmBnd1 CT CT CC 63.00 113.1000 HrmBnd1 CT CT OH 50.00 109.5000 HrmBnd1 CA CA CA 63.00 120.0001 HrmBnd1 CT CA CA 70.00 120.0001 HrmBnd1 CT CT CA 63.00 114.0000 HrmBnd1 OH C CA 70.00 120.0001 HrmBnd1 C CA CA 63.00 120.0001 HrmBnd1 CA C CA 63.00 120.0001 HrmBnd1 CA CA CB 63.00 120.0001 HrmBnd1 CA CN CB 63.00 122.7001 HrmBnd1 CN CA CA 63.00 120.0001 HrmBnd1 CN CB CA 63.00 116.2000 HrmBnd1 NA CN CA 70.00 132.8001 HrmBnd1 NA CN CB 70.00 104.4000 HrmBnd1 CW C* CB 63.00 106.4000 HrmBnd1 CW NA CN 70.00 111.6000 HrmBnd1 C* CW NA 70.00 108.7000 HrmBnd1 C* CB CN 63.00 108.8000 HrmBnd1 C* CB CA 63.00 134.9001 HrmBnd1 CT C* CW 70.00 125.0001 HrmBnd1 CT C* CB 70.00 128.6001 HrmBnd1 CT CT C* 63.00 115.6000 HrmBnd1 S S CT 68.00 103.7000 AmbTrs CT CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs O2 C CT CT 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs O2 C CT N3 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N3 CT CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT C O 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT C N 0 0 0 0 0.200 0.200 0.400 0.000 1.0 AmbTrs CT C N CT 0 180 0 0 0.000 2.500 0.000 0.000 1.0 AmbTrs C N CT C 0 0 0 0 0.000 0.270 0.420 0.000 1.0 AmbTrs C N CT CT 0 0 0 0 2.000 2.000 0.400 0.000 1.0 AmbTrs N CT C N 180 180 180 0 0.450 1.580 0.550 0.000 1.0 AmbTrs N CT C O 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N CT CT S 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT S S 0 0 0 0 0.000 0.000 0.333 0.000 1.0 AmbTrs CT N C O 0 180 0 0 0.000 2.500 0.000 0.000 1.0 AmbTrs CT S S CT 0 0 0 0 0.000 3.500 0.600 0.000 1.0 AmbTrs S CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N CT C O2 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N CT CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT CT CT 180 180 0 0 0.200 0.250 0.180 0.000 1.0 AmbTrs CT N CT C 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT N CT CT 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs C CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N CT CT CC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT CC CV 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT CC NA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CC CV NB 0 180 0 0 0.000 5.150 0.000 0.000 1.0 AmbTrs CT CC NA CR 0 180 0 0 0.000 1.400 0.000 0.000 1.0 AmbTrs CC CV NB CR 0 180 0 0 0.000 2.400 0.000 0.000 1.0 AmbTrs CC NA CR NB 0 180 0 0 0.000 2.325 0.000 0.000 1.0 AmbTrs CC CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs NA CR NB CV 0 180 0 0 0.000 5.000 0.000 0.000 1.0 AmbTrs NA CC CV NB 0 180 0 0 0.000 5.150 0.000 0.000 1.0 AmbTrs CR NA CC CV 0 180 0 0 0.000 1.400 0.000 0.000 1.0 AmbTrs N CT CT CA 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT CA CA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CA CA CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CA CA CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N CT CT OH 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs OH CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT CT N2 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT N2 CA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT N2 CA N2 0 180 0 0 0.000 2.400 0.000 0.000 1.0 AmbTrs CA CA CA C 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CA C CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CA C OH 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs N CT CT C* 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT C* CB 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT C* CW 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT C* CB CA 0 180 0 0 0.000 1.675 0.000 0.000 1.0 AmbTrs CT C* CB CN 0 180 0 0 0.000 1.675 0.000 0.000 1.0 AmbTrs CT C* CW NA 0 180 0 0 0.000 6.525 0.000 0.000 1.0 AmbTrs C* CB CA CA 0 180 0 0 0.000 3.500 0.000 0.000 1.0 AmbTrs C* CB CN CA 0 180 0 0 0.000 3.000 0.000 0.000 1.0 AmbTrs C* CB CN NA 0 180 0 0 0.000 3.000 0.000 0.000 1.0 AmbTrs C* CW NA CN 0 180 0 0 0.000 1.500 0.000 0.000 1.0 AmbTrs C* CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CW NA CN CB 0 180 0 0 0.000 1.525 0.000 0.000 1.0 AmbTrs CW NA CN CA 0 180 0 0 0.000 1.525 0.000 0.000 1.0 AmbTrs CW C* CB CA 0 180 0 0 0.000 1.675 0.000 0.000 1.0 AmbTrs CW C* CB CN 0 180 0 0 0.000 1.675 0.000 0.000 1.0 AmbTrs NA CN CB CA 0 180 0 0 0.000 3.000 0.000 0.000 1.0 AmbTrs NA CN CA CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs NA CW C* CB 0 180 0 0 0.000 6.525 0.000 0.000 1.0 AmbTrs CN CB CA CA 0 180 0 0 0.000 3.500 0.000 0.000 1.0 AmbTrs CN CA CA CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CN CB CA 0 180 0 0 0.000 3.000 0.000 0.000 1.0 AmbTrs CA CA CA CB 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CA CN CB 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs N CT CT SH 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs SH CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N3 CT C N 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N3 CT C O 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT CT S 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT S CT 0 0 0 0 0.000 0.000 0.333 0.000 1.0 AmbTrs CT CT CT HC 0 0 0 0 0.000 0.000 0.160 0.000 1.0 AmbTrs C CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs C CT N3 H 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs O2 C CT HP 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N3 CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H N3 CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H N3 CT HP 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs HP CT CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs HP CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs HC CT CT HC 0 0 0 0 0.000 0.000 0.150 0.000 1.0 AmbTrs CT C N H 0 180 0 0 0.000 2.500 0.000 0.000 1.0 AmbTrs HC CT C O 0 0 180 0 0.800 0.000 0.080 0.000 1.0 AmbTrs HC CT C N 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs C N CT H1 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N CT CT H1 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT N H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs S S CT H1 0 0 0 0 0.000 0.000 0.333 0.000 1.0 AmbTrs S CT CT H1 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs C CT N H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs C CT CT H1 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N C CT H1 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs O2 C CT H1 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs H1 CT N H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs H N C O 0 180 0 0 2.000 2.500 0.000 0.000 1.0 AmbTrs O C CT H1 0 0 180 0 0.800 0.000 0.080 0.000 1.0 AmbTrs H1 CT CT H1 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H1 CT CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H1 CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT N CT H1 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs H1 CT CT CC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CC CV H4 0 180 0 0 0.000 5.150 0.000 0.000 1.0 AmbTrs CT CC NA H 0 180 0 0 0.000 1.400 0.000 0.000 1.0 AmbTrs HC CT CC CV 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HC CT CC NA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CC NA CR H5 0 180 0 0 0.000 2.325 0.000 0.000 1.0 AmbTrs NA CC CV H4 0 180 0 0 0.000 5.150 0.000 0.000 1.0 AmbTrs H NA CR NB 0 180 0 0 0.000 2.325 0.000 0.000 1.0 AmbTrs H NA CR H5 0 180 0 0 0.000 2.325 0.000 0.000 1.0 AmbTrs H NA CC CV 0 180 0 0 0.000 1.400 0.000 0.000 1.0 AmbTrs CR NB CV H4 0 180 0 0 0.000 2.400 0.000 0.000 1.0 AmbTrs H5 CR NB CV 0 180 0 0 0.000 5.000 0.000 0.000 1.0 AmbTrs H1 CT CT CA 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CA CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HC CT CA CA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CA CA CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HA CA CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HC CT C O2 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT OH HO 0 0 0 0 0.250 0.000 0.160 0.000 1.0 AmbTrs H1 CT CT OH 0 0 0 0 0.250 0.000 0.000 0.000 1.0 AmbTrs H1 CT OH HO 0 0 0 0 0.000 0.000 0.167 0.000 1.0 AmbTrs HC CT CT OH 0 0 0 0 0.250 0.000 0.000 0.000 1.0 AmbTrs CT CT N2 H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HC CT CT N2 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H1 CT N2 CA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs H1 CT N2 H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N2 CA N2 H 0 180 0 0 0.000 2.400 0.000 0.000 1.0 AmbTrs HA CA CA C 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA C CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA C OH HO 0 180 0 0 0.000 2.300 0.000 0.000 1.0 AmbTrs HA CA C OH 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs H1 CT CT C* 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT C* CW H4 0 180 0 0 0.000 6.525 0.000 0.000 1.0 AmbTrs HC CT C* CB 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HC CT C* CW 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs C* CB CA HA 0 180 0 0 0.000 3.500 0.000 0.000 1.0 AmbTrs C* CW NA H 0 180 0 0 0.000 1.500 0.000 0.000 1.0 AmbTrs H4 CW NA CN 0 180 0 0 0.000 1.500 0.000 0.000 1.0 AmbTrs H4 CW NA H 0 180 0 0 0.000 1.500 0.000 0.000 1.0 AmbTrs H4 CW C* CB 0 180 0 0 0.000 6.525 0.000 0.000 1.0 AmbTrs NA CN CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs H NA CN CB 0 180 0 0 0.000 1.525 0.000 0.000 1.0 AmbTrs H NA CN CA 0 180 0 0 0.000 1.525 0.000 0.000 1.0 AmbTrs CN CB CA HA 0 180 0 0 0.000 3.500 0.000 0.000 1.0 AmbTrs CN CA CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HA CA CN CB 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HA CA CA CB 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CT CT SH HS 0 0 0 0 0.000 0.000 0.250 0.000 1.0 AmbTrs H1 CT CT SH 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H1 CT SH HS 0 0 0 0 0.000 0.000 0.250 0.000 1.0 AmbTrs HP CT C N 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HP CT C O 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HC CT CT S 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT S CT H1 0 0 0 0 0.000 0.000 0.333 0.000 1.0 ImpTrs CT O2 C O2 10.5 180.0 2.0 ImpTrs CT N C O 10.5 180.0 2.0 ImpTrs C CT N CT 1.0 180.0 2.0 ImpTrs CT CV CC NA 1.1 180.0 2.0 ImpTrs CA CA CA CT 1.1 180.0 2.0 ImpTrs N2 N2 CA N2 10.5 180.0 2.0 ImpTrs CA CA C OH 1.1 180.0 2.0 ImpTrs CB CT C* CW 1.1 180.0 2.0 ImpTrs C CT N H 1.1 180.0 2.0 ImpTrs C H N H 1.0 180.0 2.0 ImpTrs CC CR NA H 1.0 180.0 2.0 ImpTrs NA NB CR H5 1.1 180.0 2.0 ImpTrs CC NB CV H4 1.1 180.0 2.0 ImpTrs CA CA CA HA 1.1 180.0 2.0 ImpTrs CT CA N2 H 1.0 180.0 2.0 ImpTrs CA H N2 H 1.0 180.0 2.0 ImpTrs CA C CA HA 1.1 180.0 2.0 ImpTrs C* NA CW H4 1.1 180.0 2.0 ImpTrs CW CN NA H 1.0 180.0 2.0 ImpTrs CN CA CA HA 1.1 180.0 2.0 ImpTrs CA CB CA HA 1.1 180.0 2.0 --Link1-- %mem=54GB %nprocshared=16 %chk=domain-ab-TS3.chk # oniom(mpwpw91/6-31g(d):amber=softfirst)=embedcharge iop(3/76=0594004060) nosymm freq=(noraman,savenormalmodes,modelmodes) geom=connectivity temperature=310 pressure=1.0 8_GSHox-Cys53_Cys56-C1.rtf -11 1 0 1 0 1 C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=47) 0 -13.627641 -6.960171 0.640220 H H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=47) 0 -12.989036 -7.530043 1.312322 H H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=47) 0 -13.880904 -6.060362 1.194865 H C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=47) 0 -14.913680 -7.734173 0.412712 H H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=47) 0 -15.584698 -7.229164 -0.290204 H H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=47) 0 -14.744040 -8.727221 -0.002488 H C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=47) 0 -15.723982 -7.858620 1.692614 H O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=47) 0 -16.635351 -8.811809 1.728675 H O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=47) 0 -15.595689 -7.118555 2.636816 H C-CT--0.027500(PDBName=CA,ResName=TRP,ResNum=52) 0 -24.896479 -13.933207 -3.426310 L H-H1-0.112300(PDBName=HA,ResName=TRP,ResNum=52) 0 -25.424949 -14.123816 -2.493427 L C-C-0.597300(PDBName=C,ResName=TRP,ResNum=52) 0 -23.742623 -14.958433 -3.500781 L O-O--0.567900(PDBName=O,ResName=TRP,ResNum=52) 0 -24.045027 -16.146871 -3.365919 L N-N--0.415700(PDBName=N,ResName=CYM,ResNum=53) 0 -22.468240 -14.561977 -3.689417 L H-HC 16 0.0000 H-H-0.271900(PDBName=H,ResName=CYM,ResNum=53) 0 -22.244441 -13.574288 -3.714180 L C-CT--0.035100(PDBName=CA,ResName=CYM,ResNum=53) 0 -21.353156 -15.490491 -3.911834 H H-H1-0.050800(PDBName=HA,ResName=CYM,ResNum=53) 0 -21.673581 -16.253442 -4.623236 H C-CT--0.241300(PDBName=CB,ResName=CYM,ResNum=53) 0 -20.199543 -14.719319 -4.552010 H H-H1-0.112200(PDBName=HB3,ResName=CYM,ResNum=53) 0 -19.925221 -13.808399 -4.014507 H H-H1-0.112200(PDBName=HB2,ResName=CYM,ResNum=53) 0 -20.446019 -14.442529 -5.575197 H S-SH--0.884400(PDBName=SG,ResName=CYM,ResNum=53) 0 -18.610331 -15.600601 -4.607179 H C-C-0.597300(PDBName=C,ResName=CYM,ResNum=53) 0 -21.014226 -16.123241 -2.583027 H O-O--0.567900(PDBName=O,ResName=CYM,ResNum=53) 0 -20.755389 -15.448014 -1.598752 H N-N--0.415700(PDBName=N,ResName=GLY,ResNum=54) 0 -20.984329 -17.473589 -2.535752 H H-H-0.271900(PDBName=H,ResName=GLY,ResNum=54) 0 -21.413381 -17.985468 -3.299518 H C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=54) 0 -20.798463 -18.152782 -1.278736 H H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=54) 0 -21.561000 -17.893347 -0.548647 H H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=54) 0 -20.851848 -19.225735 -1.457134 H C-C-0.597300(PDBName=C,ResName=GLY,ResNum=54) 0 -19.454185 -17.842091 -0.653903 H O-O--0.567900(PDBName=O,ResName=GLY,ResNum=54) 0 -19.294499 -17.800141 0.556514 H N-N--0.415700(PDBName=N,ResName=HID,ResNum=55) 0 -18.473604 -17.648281 -1.537037 H H-H-0.271900(PDBName=H,ResName=HID,ResNum=55) 0 -18.721681 -17.617996 -2.512403 H C-CT-0.018800(PDBName=CA,ResName=HID,ResNum=55) 0 -17.127131 -17.308365 -1.171651 H H-H1-0.088100(PDBName=HA,ResName=HID,ResNum=55) 0 -16.800408 -17.967861 -0.368731 H C-CT--0.046200(PDBName=CB,ResName=HID,ResNum=55) 0 -16.248790 -17.511425 -2.415100 H H-HC-0.040200(PDBName=HB2,ResName=HID,ResNum=55) 0 -16.607846 -16.864114 -3.214567 H H-HC-0.040200(PDBName=HB3,ResName=HID,ResNum=55) 0 -15.235691 -17.188631 -2.207920 H C-CC--0.026600(PDBName=CG,ResName=HID,ResNum=55) 0 -16.269169 -18.926206 -2.882117 H N-NA--0.381100(PDBName=ND1,ResName=HID,ResNum=55) 0 -15.399748 -19.888910 -2.430303 H H-H-0.364900(PDBName=HD1,ResName=HID,ResNum=55) 0 -14.480151 -19.733939 -2.036575 H C-CR-0.205700(PDBName=CE1,ResName=HID,ResNum=55) 0 -15.743669 -21.054408 -3.002915 H H-H5-0.139200(PDBName=HE1,ResName=HID,ResNum=55) 0 -15.192134 -21.964210 -2.851225 H N-NB--0.572700(PDBName=NE2,ResName=HID,ResNum=55) 0 -16.808540 -20.927082 -3.754563 H C-CV-0.129200(PDBName=CD2,ResName=HID,ResNum=55) 0 -17.134881 -19.598883 -3.695855 H H-H4-0.114700(PDBName=HD2,ResName=HID,ResNum=55) 0 -17.956301 -19.201025 -4.265849 H C-C-0.597300(PDBName=C,ResName=HID,ResNum=55) 0 -17.058963 -15.900240 -0.570327 H O-O--0.567900(PDBName=O,ResName=HID,ResNum=55) 0 -16.423877 -15.683021 0.458405 H N-N--0.415700(PDBName=N,ResName=CYS,ResNum=56) 0 -17.783693 -14.957963 -1.172545 H H-H-0.271900(PDBName=H,ResName=CYS,ResNum=56) 0 -18.153991 -15.110859 -2.096645 H C-CT-0.021300(PDBName=CA,ResName=CYS,ResNum=56) 0 -17.873975 -13.628078 -0.630072 H H-H1-0.112400(PDBName=HA,ResName=CYS,ResNum=56) 0 -16.874006 -13.215968 -0.514178 H C-CT--0.123100(PDBName=CB,ResName=CYS,ResNum=56) 0 -18.713116 -12.715736 -1.530282 H H-H1-0.111200(PDBName=HB2,ResName=CYS,ResNum=56) 0 -19.663530 -13.205060 -1.737436 H H-H1-0.111200(PDBName=HB3,ResName=CYS,ResNum=56) 0 -18.954742 -11.822115 -0.953273 H S-SH--0.311900(PDBName=SG,ResName=CYS,ResNum=56) 0 -17.820323 -12.295406 -3.042854 H H-HS-0.193300(PDBName=HG,ResName=CYS,ResNum=56) 0 -16.877802 -11.024954 -0.828785 H C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=120) 0 -11.760117 -15.819486 1.394461 H H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=120) 0 -12.077967 -16.855732 1.493631 H H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=120) 0 -12.548304 -15.169340 1.766503 H N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=120) 0 -11.444043 -15.509107 0.021909 H H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=120) 0 -10.549663 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N-N3--0.516764(PDBName=N1,ResName=GDS,ResNum=238) 0 -10.939902 -20.443117 -4.727492 H H-H-0.336685(PDBName=H21,ResName=GDS,ResNum=238) 0 -11.444751 -21.323859 -4.642124 H H-H-0.336685(PDBName=H22,ResName=GDS,ResNum=238) 0 -10.321167 -20.372544 -3.908210 H H-H-0.336685(PDBName=H25,ResName=GDS,ResNum=238) 0 -10.347818 -20.519381 -5.563854 H H-HP-0.075961(PDBName=H5,ResName=GDS,ResNum=238) 0 -11.227491 -18.403274 -4.947844 H C-CT-0.021774(PDBName=C7,ResName=GDS,ResNum=238) 0 -12.852032 -19.423281 -5.946410 H H-HC-0.040870(PDBName=H9,ResName=GDS,ResNum=238) 0 -13.579095 -20.198561 -5.697381 H H-HC-0.040870(PDBName=H10,ResName=GDS,ResNum=238) 0 -12.320963 -19.755086 -6.838819 H C-CT--0.669382(PDBName=C11,ResName=GDS,ResNum=238) 0 -13.560421 -18.102497 -6.229875 H H-HC-0.225501(PDBName=H17,ResName=GDS,ResNum=238) 0 -13.909679 -17.651784 -5.305400 H H-HC-0.225501(PDBName=H18,ResName=GDS,ResNum=238) 0 -12.850684 -17.405317 -6.679548 H C-C-1.051032(PDBName=C13,ResName=GDS,ResNum=238) 0 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H-H1-0.143996(PDBName=H4,ResName=GDS,ResNum=238) 0 -24.150441 -17.228567 -12.737207 H H-H-0.267948(PDBName=H30,ResName=GDS,ResNum=238) 0 -23.264879 -16.893017 -10.110381 H O-O--0.591564(PDBName=O11,ResName=GDS,ResNum=238) 0 -23.153015 -19.788636 -11.347385 H N-N--0.847389(PDBName=N5,ResName=GDS,ResNum=238) 0 -22.239913 -20.040617 -8.600640 H C-C-1.051032(PDBName=C14,ResName=GDS,ResNum=238) 0 -22.807847 -19.797804 -7.409930 H C-CT--0.669382(PDBName=C12,ResName=GDS,ResNum=238) 0 -23.151388 -21.053287 -6.640221 H H-HC-0.225501(PDBName=H19,ResName=GDS,ResNum=238) 0 -22.317198 -21.258337 -5.974288 H H-HC-0.225501(PDBName=H20,ResName=GDS,ResNum=238) 0 -23.261573 -21.869948 -7.345389 H O-O--0.715130(PDBName=O12,ResName=GDS,ResNum=238) 0 -22.957063 -18.668868 -6.935984 H H-H-0.433401(PDBName=H28,ResName=GDS,ResNum=238) 0 -22.221353 -20.993804 -8.965611 H H-H1-0.041154(PDBName=H7,ResName=GDS,ResNum=238) 0 -21.810429 -18.078222 -8.901130 H H-H1-0.190294(PDBName=H13,ResName=GDS,ResNum=238) 0 -20.664985 -19.952170 -10.995126 H H-H1-0.190294(PDBName=H14,ResName=GDS,ResNum=238) 0 -20.251567 -18.286193 -10.689540 H H-H1-0.190294(PDBName=H11,ResName=GDS,ResNum=238) 0 -18.684221 -16.404303 -8.315654 H H-H1-0.190294(PDBName=H12,ResName=GDS,ResNum=238) 0 -17.676108 -15.396240 -7.303001 H C-C-0.499365(PDBName=C16,ResName=GDS,ResNum=238) 0 -16.070664 -16.428748 -9.210534 H O-O--0.591564(PDBName=O10,ResName=GDS,ResNum=238) 0 -15.194898 -15.614927 -8.978435 H N-N--0.214693(PDBName=N3,ResName=GDS,ResNum=238) 0 -16.483610 -16.682057 -10.464997 H C-CT--0.457591(PDBName=C3,ResName=GDS,ResNum=238) 0 -15.867579 -15.994579 -11.614075 L H-H 113 0.0000 C-C-1.004947(PDBName=C17,ResName=GDS,ResNum=238) 0 -16.818800 -15.039589 -12.318731 L O-O2--0.856478(PDBName=O3,ResName=GDS,ResNum=238) 0 -17.947721 -15.486196 -12.626887 L O-O2--0.856478(PDBName=O4,ResName=GDS,ResNum=238) 0 -16.442856 -13.871580 -12.578694 L H-H1-0.143996(PDBName=H1,ResName=GDS,ResNum=238) 0 -15.558840 -16.723511 -12.358253 L H-H1-0.143996(PDBName=H2,ResName=GDS,ResNum=238) 0 -15.004005 -15.404079 -11.324540 L H-H-0.267948(PDBName=H29,ResName=GDS,ResNum=238) 0 -16.999974 -17.519643 -10.729204 H H-H1-0.041154(PDBName=H6,ResName=GDS,ResNum=238) 0 -17.015553 -18.187437 -8.370463 H H-H-0.433401(PDBName=H27,ResName=GDS,ResNum=238) 0 -15.602193 -16.591037 -6.360945 H O-O--0.715130(PDBName=O9,ResName=GDS,ResNum=238) 0 -14.683680 -18.987438 -8.159297 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=252) 0 -17.174391 -19.114022 -11.722999 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=252) 0 -17.986008 -19.044107 -12.285022 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=252) 0 -17.512681 -19.620562 -10.972691 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=254) 0 -16.321021 -23.605279 -4.748892 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=254) 0 -16.733270 -22.747358 -4.569626 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=254) 0 -15.996452 -23.531865 -5.647270 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=256) 0 -19.973212 -14.307930 -7.869655 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=256) 0 -19.719227 -14.586581 -8.769525 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=256) 0 -20.920496 -14.152138 -7.978335 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=268) 0 -22.896076 -18.422967 -4.290412 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=268) 0 -22.903252 -18.525620 -5.280981 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=268) 0 -23.519407 -17.668444 -4.212187 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=373) 0 -16.663675 -10.851370 0.100766 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=373) 0 -16.622677 -9.405010 0.945431 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=373) 0 -17.183239 -11.470434 0.633475 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=800) 0 413.720803 -10.160315 -29.473025 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=800) 0 413.234502 -10.980081 -29.561052 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=800) 0 413.046513 -9.495974 -29.330750 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1001) 0 -19.492631 -15.338169 -10.432022 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1001) 0 -20.384600 -15.338869 -10.879307 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1001) 0 -18.939878 -15.433344 -11.251093 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1076) 0 -13.601062 -19.643180 -11.846899 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1076) 0 -13.232927 -18.860175 -12.299224 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1076) 0 -14.424642 -19.340098 -11.457868 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1088) 0 -19.578169 -22.901656 -9.706084 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1088) 0 -19.179643 -23.108718 -10.553827 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1088) 0 -20.543261 -22.846365 -9.870485 H C-C-0.597300(PDBName=C,ResName=CYS,ResNum=56) 0 -18.494938 -13.647859 0.744734 H O-O--0.567900(PDBName=O,ResName=CYS,ResNum=56) 0 -18.144318 -12.851003 1.608732 H N-N--0.347900(PDBName=N,ResName=LYS,ResNum=57) 0 -19.484584 -14.533031 0.917771 H H-H-0.274700(PDBName=H,ResName=LYS,ResNum=57) 0 -19.811587 -15.094425 0.142484 H C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=81) 0 -18.879090 -4.030512 3.180696 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=81) 0 -19.381861 -4.725958 2.507295 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=81) 0 -18.369736 -4.591775 3.965998 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=81) 0 -19.897834 -3.071966 3.808083 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=81) 0 -19.420693 -2.550635 4.644273 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=81) 0 -20.165465 -2.324320 3.055704 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=81) 0 -21.142036 -3.730674 4.267670 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=81) 0 -21.795338 -3.011067 4.578771 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=81) 0 -21.607387 -4.205199 3.506372 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=81) 0 -21.002854 -4.358962 5.053766 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=241) 0 -20.601908 -2.482790 -0.289671 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=241) 0 -20.124704 -1.804265 -0.811900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=241) 0 -21.523948 -2.257875 -0.502591 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=247) 0 -12.174478 -19.407987 -9.368905 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=247) 0 -13.035973 -19.321383 -8.938829 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=247) 0 -12.411027 -19.663490 -10.271409 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=290) 0 -24.533647 -22.156143 -10.460046 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=290) 0 -25.078706 -21.509385 -9.957872 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=290) 0 -24.160994 -21.581011 -11.141639 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=300) 0 -20.699256 -22.791392 -5.006624 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=300) 0 -21.637746 -22.987810 -4.771460 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=300) 0 -20.160087 -22.907481 -4.214315 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=510) 0 -19.138071 -22.374452 -2.606142 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=510) 0 -18.504732 -22.628735 -1.913101 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=510) 0 -18.595257 -21.793312 -3.156891 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=702) 0 -21.619508 -17.748445 -13.258538 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=702) 0 -22.398109 -18.237756 -12.974453 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=702) 0 -21.710784 -16.907824 -12.771767 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=714) 0 -19.324914 -19.291651 -13.311360 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=714) 0 -20.118739 -18.731357 -13.216649 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=714) 0 -18.943621 -19.009777 -14.162669 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=928) 0 -22.174742 -22.739687 -9.351724 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=928) 0 -23.082565 -22.767862 -9.726394 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=928) 0 -22.056320 -23.332140 -8.589288 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1135) 0 -17.582477 -7.062542 4.916152 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1135) 0 -16.956069 -7.143733 4.184386 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1135) 0 -17.349258 -7.776440 5.521807 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1274) 0 -26.647065 -6.381953 20.999164 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1274) 0 -26.826768 -7.192558 20.512938 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1274) 0 -25.808271 -6.087511 20.575232 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1283) 0 -20.826763 -24.065920 -7.395021 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1283) 0 -20.579776 -23.555068 -6.598006 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1283) 0 -20.108789 -23.951971 -8.030666 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=249) 0 -12.240179 -15.326634 -5.178113 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=249) 0 -13.205954 -15.309385 -5.300246 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=249) 0 -12.072256 -14.385829 -4.945456 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=265) 0 -24.296746 -18.762078 -1.821840 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=265) 0 -23.683280 -18.816264 -2.578982 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=265) 0 -23.916052 -19.441442 -1.224923 L N-N3-0.159200(PDBName=N,ResName=MET,ResNum=1) 0 -13.534268 23.360983 -13.382955 L H-H-0.198400(PDBName=H1,ResName=MET,ResNum=1) 0 -14.016686 22.492079 -13.568607 L H-H-0.198400(PDBName=H2,ResName=MET,ResNum=1) 0 -12.583755 23.147481 -13.102055 L H-H-0.198400(PDBName=H3,ResName=MET,ResNum=1) 0 -13.485540 23.889251 -14.245864 L C-CT-0.022100(PDBName=CA,ResName=MET,ResNum=1) 0 -14.244112 24.123845 -12.340716 L H-HP-0.111600(PDBName=HA,ResName=MET,ResNum=1) 0 -13.759201 25.093616 -12.230222 L C-CT-0.086500(PDBName=CB,ResName=MET,ResNum=1) 0 -15.707005 24.354684 -12.753349 L H-HC-0.012500(PDBName=HB2,ResName=MET,ResNum=1) 0 -15.726994 24.776515 -13.758759 L H-HC-0.012500(PDBName=HB3,ResName=MET,ResNum=1) 0 -16.232777 23.401312 -12.775444 L C-CT-0.033400(PDBName=CG,ResName=MET,ResNum=1) 0 -16.458891 25.311301 -11.823921 L H-H1-0.029200(PDBName=HG2,ResName=MET,ResNum=1) 0 -16.381441 24.956167 -10.795957 L H-H1-0.029200(PDBName=HG3,ResName=MET,ResNum=1) 0 -15.992721 26.294803 -11.891764 L S-S--0.277400(PDBName=SD,ResName=MET,ResNum=1) 0 -18.217196 25.474553 -12.231649 L C-CT--0.034100(PDBName=CE,ResName=MET,ResNum=1) 0 -18.655567 26.912364 -11.221083 L H-H1-0.059700(PDBName=HE1,ResName=MET,ResNum=1) 0 -18.014865 27.757089 -11.477338 L H-H1-0.059700(PDBName=HE2,ResName=MET,ResNum=1) 0 -19.697409 27.181180 -11.397169 L H-H1-0.059700(PDBName=HE3,ResName=MET,ResNum=1) 0 -18.528208 26.667951 -10.168315 L C-C-0.612300(PDBName=C,ResName=MET,ResNum=1) 0 -14.107963 23.375530 -11.021767 L O-O--0.571300(PDBName=O,ResName=MET,ResNum=1) 0 -14.935898 22.525048 -10.687639 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=2) 0 -13.019073 23.636105 -10.300622 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=2) 0 -12.419089 24.402241 -10.597286 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=2) 0 -12.643904 22.915591 -9.087742 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=2) 0 -13.012857 21.894882 -9.175344 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=2) 0 -11.105324 22.852778 -9.006045 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=2) 0 -10.735330 22.319353 -9.882174 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=2) 0 -10.703100 23.867061 -9.035852 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=2) 0 -10.567456 22.155431 -7.742179 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=2) 0 -10.783176 22.764532 -6.866308 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=2) 0 -11.180055 20.775678 -7.533628 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=2) 0 -10.970120 20.135646 -8.390452 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=2) 0 -10.751592 20.330754 -6.639375 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=2) 0 -12.251786 20.846490 -7.374899 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=2) 0 -9.056219 21.999244 -7.843035 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=2) 0 -8.606617 22.981477 -7.961915 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=2) 0 -8.671262 21.543848 -6.930084 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=2) 0 -8.795314 21.369499 -8.693604 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=2) 0 -13.303288 23.535922 -7.850050 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=2) 0 -12.712971 24.391189 -7.185702 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=3) 0 -14.535511 23.118229 -7.538555 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=3) 0 -14.995908 22.460277 -8.156811 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=3) 0 -15.259618 23.556483 -6.334198 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=3) 0 -14.545537 23.554928 -5.511564 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=3) 0 -15.752944 25.001751 -6.549784 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=3) 0 -15.266270 25.429019 -7.424492 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=3) 0 -16.823081 25.023913 -6.737426 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=3) 0 -15.403686 25.887086 -5.349058 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=3) 0 -16.025458 25.602729 -4.503462 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=3) 0 -14.354027 25.749602 -5.084575 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=3) 0 -15.623133 27.364143 -5.681885 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=3) 0 -14.979577 27.623036 -6.522428 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=3) 0 -16.658579 27.527794 -5.980323 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=3) 0 -15.290039 28.230552 -4.542754 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=3) 0 -14.410336 28.728459 -4.567527 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=3) 0 -16.001168 28.393490 -3.446515 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=3) 0 -17.158562 27.835462 -3.257334 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=3) 0 -17.573343 27.259084 -3.980106 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=3) 0 -17.617196 27.971964 -2.375802 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=3) 0 -15.535079 29.124417 -2.486424 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=3) 0 -14.637955 29.574779 -2.609101 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=3) 0 -16.000997 29.139936 -1.588691 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=3) 0 -16.377670 22.587015 -5.926820 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=3) 0 -16.732876 21.700416 -6.699575 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=4) 0 -16.846046 22.719745 -4.680800 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=4) 0 -16.439426 23.480476 -4.145582 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=4) 0 -17.784934 21.871944 -3.915102 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=4) 0 -17.372503 21.862381 -2.906611 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=4) 0 -19.173304 22.514939 -3.776723 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=4) 0 -19.065764 23.582471 -3.577290 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=4) 0 -19.740512 22.387598 -4.694085 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=4) 0 -19.935147 21.870290 -2.611693 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=4) 0 -19.924560 20.784052 -2.708667 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=4) 0 -19.446213 22.141649 -1.676322 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=4) 0 -21.391229 22.327690 -2.588740 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=4) 0 -21.434620 23.416249 -2.516719 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=4) 0 -21.855792 22.010008 -3.522490 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=4) 0 -22.102630 21.723291 -1.453317 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=4) 0 -21.536243 21.384363 -0.681413 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=4) 0 -23.405449 21.609698 -1.306032 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=4) 0 -24.253901 22.063832 -2.177742 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=4) 0 -23.925844 22.495451 -3.037141 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=4) 0 -25.242042 21.959903 -1.994871 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=4) 0 -23.907676 21.020945 -0.265226 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=4) 0 -23.318351 20.575192 0.429914 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=4) 0 -24.914330 20.930584 -0.231468 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=4) 0 -17.822247 20.389440 -4.292939 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=4) 0 -17.113948 19.614634 -3.661106 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=5) 0 -18.621758 19.982970 -5.281150 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=5) 0 -19.142719 20.680947 -5.801446 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=5) 0 -18.749504 18.581390 -5.700441 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=5) 0 -18.872408 17.975982 -4.800151 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=5) 0 -20.028795 18.433551 -6.534215 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=5) 0 -19.926193 18.978714 -7.472233 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=5) 0 -20.206267 17.379820 -6.753598 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=5) 0 -20.883129 18.823899 -5.979892 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=5) 0 -17.502097 18.018554 -6.422827 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=5) 0 -17.536107 16.888433 -6.915244 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=6) 0 -16.418133 18.796574 -6.500470 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=6) 0 -16.525052 19.761118 -6.217538 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=6) 0 -15.100190 18.379293 -6.978077 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=6) 0 -15.113820 17.297193 -7.112522 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=6) 0 -14.854996 19.068922 -8.336141 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=6) 0 -15.808188 19.269107 -8.829835 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=6) 0 -14.378820 20.032118 -8.154626 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=6) 0 -13.989411 18.234055 -9.294041 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=6) 0 -13.123824 17.824553 -8.775983 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=6) 0 -14.805834 17.090886 -9.890309 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=6) 0 -15.676432 17.484995 -10.408054 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=6) 0 -14.192731 16.531921 -10.592337 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=6) 0 -15.138195 16.415173 -9.104753 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=6) 0 -13.494264 19.109704 -10.441131 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=6) 0 -12.807434 19.856922 -10.052068 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=6) 0 -12.962613 18.492293 -11.163878 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=6) 0 -14.331574 19.604782 -10.929473 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=6) 0 -13.959708 18.672767 -5.978337 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=6) 0 -12.797063 18.410014 -6.293864 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=7) 0 -14.239316 19.233644 -4.793967 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=7) 0 -15.206181 19.244442 -4.484855 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=7) 0 -13.226871 19.834774 -3.912498 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=7) 0 -12.237805 19.480085 -4.206881 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=7) 0 -13.271468 21.361594 -4.123741 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=7) 0 -13.070952 21.573338 -5.174155 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=7) 0 -14.279985 21.705468 -3.893351 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=7) 0 -12.286816 22.171877 -3.259975 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=7) 0 -12.500734 22.012250 -2.203434 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=7) 0 -10.835022 21.793146 -3.536821 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=7) 0 -10.611404 21.878743 -4.599115 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=7) 0 -10.179267 22.458757 -2.982768 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=7) 0 -10.636322 20.774475 -3.206717 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=7) 0 -12.452385 23.661551 -3.556652 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=7) 0 -13.475901 23.968772 -3.348531 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=7) 0 -11.783190 24.239153 -2.918662 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=7) 0 -12.212619 23.862126 -4.598870 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=7) 0 -13.418002 19.480822 -2.429139 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=7) 0 -14.407315 19.880484 -1.811538 L N-N--0.415700(PDBName=N,ResName=CYS,ResNum=8) 0 -12.408134 18.854128 -1.822227 L H-H-0.271900(PDBName=H,ResName=CYS,ResNum=8) 0 -11.621824 18.543477 -2.384096 L C-CT-0.021300(PDBName=CA,ResName=CYS,ResNum=8) 0 -12.313729 18.704819 -0.370813 L H-H1-0.112400(PDBName=HA,ResName=CYS,ResNum=8) 0 -13.262566 18.314801 0.002869 L C-CT--0.123100(PDBName=CB,ResName=CYS,ResNum=8) 0 -11.211459 17.697233 -0.034474 L H-H1-0.111200(PDBName=HB2,ResName=CYS,ResNum=8) 0 -11.315688 16.820786 -0.668346 L H-H1-0.111200(PDBName=HB3,ResName=CYS,ResNum=8) 0 -10.228446 18.136999 -0.210569 L S-SH--0.311900(PDBName=SG,ResName=CYS,ResNum=8) 0 -11.368693 17.213910 1.707965 L H-HS-0.193300(PDBName=HG,ResName=CYS,ResNum=8) 0 -12.454174 16.438602 1.544349 L C-C-0.597300(PDBName=C,ResName=CYS,ResNum=8) 0 -12.039326 20.066280 0.285237 L O-O--0.567900(PDBName=O,ResName=CYS,ResNum=8) 0 -10.911190 20.563412 0.275576 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=9) 0 -13.073907 20.690959 0.841712 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=9) 0 -13.977347 20.233630 0.829273 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=9) 0 -12.996285 22.016562 1.450974 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=9) 0 -12.171925 22.557860 0.986778 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=9) 0 -14.314704 22.745317 1.143669 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=9) 0 -14.670471 22.462560 0.151050 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=9) 0 -15.062616 22.422483 1.867777 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=9) 0 -14.185937 24.270237 1.192684 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=9) 0 -13.645382 24.555734 2.091558 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=9) 0 -13.460543 24.814241 -0.041968 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=9) 0 -14.010619 24.579904 -0.946814 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=9) 0 -13.355687 25.894013 0.034300 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=9) 0 -12.466111 24.381343 -0.127655 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=9) 0 -15.577601 24.886341 1.259197 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=9) 0 -16.044007 24.610012 2.203677 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=9) 0 -15.500229 25.968664 1.209753 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=9) 0 -16.191653 24.524952 0.437788 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=9) 0 -12.702470 21.917796 2.957184 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=9) 0 -13.129142 20.956186 3.598646 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=10) 0 -12.002385 22.902364 3.528236 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=10) 0 -11.690702 23.673670 2.949523 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=10) 0 -11.640720 22.944602 4.949657 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=10) 0 -11.337210 21.947009 5.268004 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=10) 0 -10.431565 23.878602 5.106678 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=10) 0 -10.695597 24.894298 4.809713 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=10) 0 -10.107887 23.882198 6.148184 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=10) 0 -9.607654 23.529862 4.483740 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=10) 0 -12.843460 23.373697 5.813811 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=10) 0 -13.055879 24.567886 6.046862 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=11) 0 -13.702794 22.423303 6.198854 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=11) 0 -13.473951 21.456847 5.978186 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=11) 0 -15.060336 22.715978 6.702763 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=11) 0 -14.999997 23.589957 7.351081 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=11) 0 -15.927436 23.089546 5.472505 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=11) 0 -15.289413 23.621943 4.765537 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=11) 0 -16.474112 21.881043 4.709127 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=11) 0 -17.376960 21.487098 5.172102 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=11) 0 -16.701851 22.177966 3.690745 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=11) 0 -15.719113 21.096415 4.670778 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=11) 0 -17.034260 24.090658 5.812750 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=11) 0 -16.606198 24.952071 6.326198 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=11) 0 -17.493040 24.440542 4.890864 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=11) 0 -17.803207 23.645649 6.436196 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=11) 0 -15.628230 21.563466 7.562834 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=11) 0 -14.864700 20.730325 8.057281 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=12) 0 -16.947929 21.528953 7.784536 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=12) 0 -17.505260 22.279203 7.409216 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=12) 0 -17.680606 20.409067 8.381002 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=12) 0 -17.046229 19.520638 8.383700 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=12) 0 -18.001730 20.760634 9.840273 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=12) 0 -18.612178 21.663463 9.888046 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=12) 0 -18.546261 19.935671 10.301551 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=12) 0 -17.074861 20.919947 10.392877 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=12) 0 -18.940033 20.065197 7.551866 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=12) 0 -20.034152 20.585040 7.794987 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=13) 0 -18.785290 19.212993 6.540488 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=13) 0 -17.843661 18.870632 6.362139 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=13) 0 -19.852615 18.643790 5.712468 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=13) 0 -20.820728 18.963990 6.094796 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=13) 0 -19.704714 19.183916 4.284135 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=13) 0 -18.736466 18.891124 3.873269 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=13) 0 -20.493763 18.779953 3.648974 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=13) 0 -19.775383 20.272048 4.290107 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=13) 0 -19.824060 17.102921 5.764611 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=13) 0 -18.773658 16.521265 6.047227 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=14) 0 -20.961301 16.448689 5.494164 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=14) 0 -21.773135 17.016360 5.292152 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=14) 0 -21.170837 14.988852 5.533925 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=14) 0 -22.247753 14.833074 5.457682 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=14) 0 -20.582282 14.360732 4.252927 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=14) 0 -21.157261 14.743890 3.408270 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=14) 0 -19.566301 14.722261 4.127720 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=14) 0 -20.544046 12.824458 4.152102 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=14) 0 -19.877860 12.424301 4.911629 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=14) 0 -21.913117 12.176097 4.332227 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=14) 0 -22.587163 12.511698 3.549307 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=14) 0 -21.811519 11.092292 4.267832 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=14) 0 -22.325821 12.420149 5.309982 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=14) 0 -19.990754 12.447286 2.776729 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=14) 0 -18.965352 12.803898 2.680665 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=14) 0 -19.997922 11.367075 2.654543 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=14) 0 -20.596253 12.892816 1.991277 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=14) 0 -20.788759 14.345500 6.888819 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=14) 0 -21.657116 14.228526 7.755868 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=15) 0 -19.525075 13.979277 7.107340 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=15) 0 -18.865171 14.142889 6.354287 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=15) 0 -18.967665 13.503960 8.393246 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=15) 0 -19.495047 14.001066 9.208120 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=15) 0 -19.180146 11.979671 8.542188 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=15) 0 -20.233144 11.773345 8.353366 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=15) 0 -18.357492 11.141936 7.556930 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=15) 0 -17.294075 11.293707 7.731522 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=15) 0 -18.582283 10.083986 7.694275 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=15) 0 -18.599555 11.416527 6.533279 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=15) 0 -18.880535 11.495412 9.961521 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=15) 0 -19.491745 12.048379 10.670165 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=15) 0 -19.124962 10.436609 10.045129 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=15) 0 -17.828590 11.626651 10.207933 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=15) 0 -17.484727 13.886736 8.498870 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=15) 0 -16.823659 14.018339 7.465772 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=16) 0 -16.926091 14.074625 9.701525 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=16) 0 -17.506344 13.978650 10.530138 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=16) 0 -15.480917 14.323822 9.876691 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=16) 0 -15.217794 15.215119 9.308450 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=16) 0 -15.161451 14.578494 11.360150 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=16) 0 -15.869192 15.297325 11.767334 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=16) 0 -15.292568 13.643540 11.904794 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=16) 0 -13.740035 15.124607 11.598968 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=16) 0 -13.027186 14.684642 10.909123 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=16) 0 -13.736405 16.205400 11.452714 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=16) 0 -13.272072 14.786682 13.013477 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=16) 0 -13.929294 15.279952 13.726285 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=16) 0 -13.353386 13.709785 13.168023 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=16) 0 -11.886148 15.212431 13.265375 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=16) 0 -11.759778 15.997826 13.893030 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=16) 0 -10.790195 14.537022 12.977717 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=16) 0 -10.776769 13.432808 12.294508 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=16) 0 -11.639395 12.988703 11.998309 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=16) 0 -9.914987 12.911595 12.252954 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=16) 0 -9.630441 14.944732 13.390788 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=16) 0 -9.560617 15.698952 14.059868 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=16) 0 -8.853493 14.310132 13.263309 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=16) 0 -14.643405 13.146666 9.355856 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=16) 0 -15.006733 11.989984 9.569584 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=17) 0 -13.480871 13.445615 8.774060 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=17) 0 -13.273607 14.423119 8.609727 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=17) 0 -12.423224 12.479353 8.477810 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=17) 0 -12.785567 11.825107 7.689508 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=17) 0 -11.207687 13.249439 7.950948 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=17) 0 -10.811161 13.904172 8.728471 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=17) 0 -10.427000 12.555558 7.636083 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=17) 0 -11.503018 13.850980 7.092494 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=17) 0 -12.056751 11.573716 9.673102 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=17) 0 -12.467066 11.816643 10.808309 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=18) 0 -11.315667 10.499202 9.395895 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=18) 0 -10.980104 10.424599 8.445244 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=18) 0 -11.273783 9.239383 10.160576 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=18) 0 -10.540429 8.617378 9.648075 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=18) 0 -10.724484 9.421521 11.585377 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=18) 0 -9.765769 9.937962 11.534827 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=18) 0 -11.407106 10.027794 12.178781 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=18) 0 -10.536094 8.072107 12.281391 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=18) 0 -9.580023 7.346202 11.926143 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=18) 0 -11.350603 7.737342 13.179992 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=18) 0 -12.584782 8.429032 10.113346 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=18) 0 -12.524854 7.200990 10.146066 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=19) 0 -13.749649 9.055632 9.917637 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=19) 0 -13.764394 10.066878 9.926244 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=19) 0 -14.915962 8.379882 9.353058 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=19) 0 -14.832404 7.308377 9.518170 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=19) 0 -16.195396 8.804688 10.077923 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=19) 0 -16.379218 9.864249 9.922280 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=19) 0 -17.041532 8.244060 9.678554 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=19) 0 -16.106310 8.601380 11.143647 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=19) 0 -14.982442 8.659228 7.838600 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=19) 0 -15.259882 9.790955 7.435598 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=20) 0 -14.739897 7.660096 6.977340 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=20) 0 -14.158778 6.366395 7.295551 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=20) 0 -14.807169 5.795354 7.960856 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=20) 0 -13.178745 6.503554 7.749120 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=20) 0 -14.016403 5.635302 5.965652 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=20) 0 -14.801813 4.885338 5.873389 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=20) 0 -13.030011 5.190163 5.893409 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=20) 0 -14.210777 6.712073 4.903175 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=20) 0 -14.586934 6.301313 3.965915 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=20) 0 -13.262320 7.218573 4.731077 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=20) 0 -15.186252 7.673079 5.589688 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=20) 0 -15.113640 8.664417 5.141820 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=20) 0 -16.650593 7.197942 5.568618 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=20) 0 -17.341530 7.223782 6.594081 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=21) 0 -17.138017 6.679111 4.441702 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=21) 0 -16.557718 6.643559 3.618889 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=21) 0 -18.311451 5.810134 4.517145 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=21) 0 -18.949439 6.249179 5.270625 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=21) 0 -19.108645 5.810777 3.207170 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=21) 0 -19.186059 6.834813 2.842811 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=21) 0 -18.586117 5.221118 2.453514 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=21) 0 -20.530266 5.264875 3.406387 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=21) 0 -21.096633 5.459207 2.494874 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=21) 0 -20.475159 4.185565 3.559615 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=21) 0 -21.236853 5.917016 4.604641 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=21) 0 -21.738306 7.059419 4.482589 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=21) 0 -21.117226 5.383922 5.735342 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=21) 0 -17.913873 4.412908 5.020968 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=21) 0 -16.931009 3.854245 4.542800 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=22) 0 -18.628401 3.856526 6.005278 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=22) 0 -19.492328 4.308414 6.289339 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=22) 0 -18.283985 2.582980 6.662975 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=22) 0 -17.923467 1.905708 5.894561 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=22) 0 -17.129062 2.750984 7.674325 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=22) 0 -16.979249 1.793523 8.175785 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=22) 0 -16.209884 2.979832 7.136470 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=22) 0 -17.334516 3.841511 8.732718 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=22) 0 -17.112087 4.818210 8.298398 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=22) 0 -18.374120 3.847468 9.053034 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=22) 0 -16.440979 3.592928 9.950803 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=22) 0 -15.220264 3.867617 9.898744 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=22) 0 -16.957749 3.112246 10.993744 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=22) 0 -19.486692 1.880044 7.327174 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=22) 0 -20.400599 2.526874 7.846461 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=23) 0 -19.464942 0.545215 7.322590 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=23) 0 -18.654249 0.093001 6.902183 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=23) 0 -20.439968 -0.377318 7.927749 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=23) 0 -21.016809 0.128938 8.702904 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=23) 0 -21.389926 -0.943968 6.855126 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=23) 0 -20.779700 -1.401008 6.076158 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=23) 0 -21.995070 -1.730122 7.308605 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=23) 0 -22.340401 0.081268 6.212255 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=23) 0 -23.062499 0.403548 6.962939 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=23) 0 -21.769344 0.954641 5.897460 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=23) 0 -23.086743 -0.466847 4.981547 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=23) 0 -22.945771 -1.671589 4.640751 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=23) 0 -23.808434 0.319499 4.322294 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=23) 0 -19.661325 -1.548111 8.552500 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=23) 0 -18.735106 -2.054690 7.924887 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=24) 0 -19.990411 -1.986029 9.773782 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=24) 0 -20.786298 -1.572390 10.235033 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=24) 0 -19.143354 -2.905454 10.569888 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=24) 0 -19.561790 -2.932782 11.576989 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=24) 0 -19.196402 -4.348252 10.029713 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=24) 0 -18.766436 -4.390760 9.028234 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=24) 0 -18.584424 -4.973972 10.677100 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=24) 0 -20.592623 -4.954342 10.014257 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=24) 0 -21.059287 -5.385641 8.930629 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=24) 0 -21.194778 -5.096408 11.098865 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=24) 0 -17.682172 -2.416130 10.735362 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=24) 0 -16.754696 -3.214076 10.886335 L N-N--0.415700(PDBName=N,ResName=HID,ResNum=25) 0 -17.454947 -1.101028 10.658377 L H-H-0.271900(PDBName=H,ResName=HID,ResNum=25) 0 -18.265621 -0.492750 10.589330 L C-CT-0.018800(PDBName=CA,ResName=HID,ResNum=25) 0 -16.147833 -0.444601 10.507708 L H-H1-0.088100(PDBName=HA,ResName=HID,ResNum=25) 0 -16.367314 0.611519 10.363987 L C-CT--0.046200(PDBName=CB,ResName=HID,ResNum=25) 0 -15.336584 -0.534911 11.807585 L H-HC-0.040200(PDBName=HB2,ResName=HID,ResNum=25) 0 -15.031398 -1.567892 11.978488 L H-HC-0.040200(PDBName=HB3,ResName=HID,ResNum=25) 0 -14.433848 0.067642 11.708913 L C-CC--0.026600(PDBName=CG,ResName=HID,ResNum=25) 0 -16.106314 -0.037818 13.001795 L N-NA--0.381100(PDBName=ND1,ResName=HID,ResNum=25) 0 -16.731646 1.182713 13.113827 L H-H-0.364900(PDBName=HD1,ResName=HID,ResNum=25) 0 -16.789233 1.895368 12.388303 L C-CR-0.205700(PDBName=CE1,ResName=HID,ResNum=25) 0 -17.336689 1.235347 14.310648 L H-H5-0.139200(PDBName=HE1,ResName=HID,ResNum=25) 0 -17.923765 2.070790 14.674699 L N-NB--0.572700(PDBName=NE2,ResName=HID,ResNum=25) 0 -17.111885 0.099432 14.993400 L C-CV-0.129200(PDBName=CD2,ResName=HID,ResNum=25) 0 -16.350109 -0.726320 14.156989 L H-H4-0.114700(PDBName=HD2,ResName=HID,ResNum=25) 0 -16.017170 -1.732163 14.378506 L C-C-0.597300(PDBName=C,ResName=HID,ResNum=25) 0 -15.349513 -0.831146 9.249378 L O-O--0.567900(PDBName=O,ResName=HID,ResNum=25) 0 -14.217527 -0.367617 9.081693 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=26) 0 -15.942486 -1.604819 8.337085 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=26) 0 -16.892126 -1.914330 8.521549 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=26) 0 -15.433743 -1.851033 6.987250 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=26) 0 -14.349838 -1.918569 7.037789 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=26) 0 -15.975979 -3.174778 6.407188 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=26) 0 -17.042942 -3.080603 6.208088 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=26) 0 -15.269973 -3.495144 5.089638 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=26) 0 -14.195270 -3.565565 5.250430 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=26) 0 -15.640003 -4.443733 4.701037 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=26) 0 -15.476664 -2.713348 4.364174 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=26) 0 -15.765378 -4.379372 7.332758 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=26) 0 -16.192938 -5.272151 6.875564 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=26) 0 -14.702929 -4.540101 7.503645 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=26) 0 -16.268381 -4.214715 8.284973 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=26) 0 -15.837104 -0.668349 6.103741 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=26) 0 -17.020018 -0.341076 6.002633 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=27) 0 -14.875364 -0.002658 5.463213 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=27) 0 -13.919609 -0.322331 5.574916 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=27) 0 -15.136941 1.200228 4.669612 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=27) 0 -15.723913 1.873044 5.288068 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=27) 0 -13.848323 1.950151 4.273807 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=27) 0 -13.497280 1.548009 3.327223 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=27) 0 -14.138676 2.985187 4.091932 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=27) 0 -12.636971 1.947264 5.223055 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=27) 0 -12.182896 0.963808 5.211676 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=27) 0 -11.584697 2.902433 4.664190 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=27) 0 -11.981141 3.908207 4.572446 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=27) 0 -10.710803 2.913288 5.314994 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=27) 0 -11.288623 2.561608 3.673375 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=27) 0 -12.960759 2.295231 6.674508 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=27) 0 -13.396849 1.428056 7.166860 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=27) 0 -12.051098 2.574159 7.203077 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=27) 0 -13.672696 3.110524 6.728484 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=27) 0 -15.963672 0.840161 3.424911 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=27) 0 -15.514344 0.052569 2.596755 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=28) 0 -17.158901 1.399453 3.257909 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=28) 0 -17.420116 2.145802 3.892028 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=28) 0 -18.063538 1.058380 2.147541 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=28) 0 -17.816039 0.054282 1.801760 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=28) 0 -19.538626 1.015055 2.571236 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=28) 0 -19.929832 2.020886 2.711865 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=28) 0 -20.359748 0.280594 1.510017 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=28) 0 -21.416237 0.299591 1.778252 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=28) 0 -20.244669 0.756695 0.536751 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=28) 0 -20.023795 -0.750724 1.445775 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=28) 0 -19.697578 0.254099 3.882514 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=28) 0 -19.528661 0.942975 4.700864 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=28) 0 -20.704412 -0.139156 3.961368 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=28) 0 -18.975862 -0.557645 3.945215 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=28) 0 -17.802819 2.006408 0.990092 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=28) 0 -18.504228 3.002787 0.799556 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=29) 0 -16.717849 1.728947 0.270439 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=29) 0 -16.215726 0.876674 0.485839 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=29) 0 -16.149851 2.656189 -0.701022 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=29) 0 -16.286508 3.662252 -0.303528 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=29) 0 -14.634929 2.437151 -0.851426 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=29) 0 -14.458167 1.442943 -1.263442 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=29) 0 -14.249894 3.174610 -1.557779 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=29) 0 -13.863521 2.574957 0.475783 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=29) 0 -14.158382 1.763457 1.133551 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=29) 0 -12.361137 2.453585 0.232039 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=29) 0 -12.017335 3.275056 -0.394455 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=29) 0 -11.827684 2.482750 1.181215 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=29) 0 -12.141907 1.507100 -0.260377 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=29) 0 -14.135887 3.896364 1.197698 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=29) 0 -15.157422 3.916225 1.575772 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=29) 0 -13.467766 3.997649 2.049977 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=29) 0 -13.984739 4.731640 0.512999 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=29) 0 -16.912660 2.644032 -2.025418 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=29) 0 -17.495001 1.637548 -2.435891 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=30) 0 -16.929797 3.815183 -2.653689 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=30) 0 -16.340223 4.543813 -2.259586 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=30) 0 -17.776274 4.215289 -3.776808 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=30) 0 -18.405016 3.381246 -4.081519 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=30) 0 -18.648588 5.410840 -3.329512 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=30) 0 -18.111350 5.993124 -2.580108 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=30) 0 -18.793929 6.066283 -4.183947 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=30) 0 -20.052755 5.103649 -2.793399 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=30) 0 -20.476918 6.026344 -2.394914 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=30) 0 -20.686540 4.797482 -3.617449 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=30) 0 -20.120700 4.029671 -1.712978 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=30) 0 -19.592170 3.136191 -2.042360 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=30) 0 -19.648531 4.424343 -0.814169 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=30) 0 -21.520513 3.664033 -1.459653 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=30) 0 -22.160006 3.692072 -2.246133 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=30) 0 -22.074160 3.327925 -0.316710 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=30) 0 -21.408370 3.270582 0.792565 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=30) 0 -20.406262 3.396167 0.790993 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=30) 0 -21.952311 3.258189 1.653020 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=30) 0 -23.337354 3.043555 -0.275248 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=30) 0 -23.880685 3.111778 -1.123833 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=30) 0 -23.721422 2.649923 0.579085 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=30) 0 -16.923774 4.612080 -4.978153 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=30) 0 -15.788691 5.059403 -4.809240 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=31) 0 -17.503603 4.582557 -6.182651 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=31) 0 -18.452971 4.211799 -6.231063 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=31) 0 -16.888438 5.180443 -7.390356 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=31) 0 -15.903754 4.725736 -7.516330 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=31) 0 -17.693230 4.835539 -8.661622 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=31) 0 -17.225272 5.320186 -9.518999 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=31) 0 -17.638574 3.756757 -8.815559 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=31) 0 -19.172293 5.243366 -8.597984 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=31) 0 -19.628334 4.712790 -7.772172 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=31) 0 -19.254525 6.314176 -8.417775 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=31) 0 -19.983145 4.869496 -9.841163 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=31) 0 -19.703555 3.869423 -10.171415 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=31) 0 -21.037446 4.844064 -9.562540 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=31) 0 -19.802054 5.877635 -10.978462 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=31) 0 -20.093165 6.870142 -10.621349 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=31) 0 -18.749072 5.904255 -11.272844 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=31) 0 -20.641728 5.500227 -12.134502 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=31) 0 -21.625895 5.430453 -11.883285 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=31) 0 -20.561197 6.158407 -12.906839 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=31) 0 -20.363507 4.588096 -12.492867 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=31) 0 -16.586095 6.685561 -7.247784 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=31) 0 -15.800705 7.217222 -8.026717 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=32) 0 -17.101860 7.359911 -6.214806 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=32) 0 -17.787858 6.899915 -5.636930 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=32) 0 -16.614898 8.666452 -5.753146 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=32) 0 -16.459249 9.307402 -6.621910 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=32) 0 -17.658828 9.352898 -4.861638 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=32) 0 -17.214180 10.239518 -4.408405 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=32) 0 -18.511388 9.662456 -5.460172 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=32) 0 -18.108307 8.495622 -3.834991 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=32) 0 -18.450039 9.069698 -3.110424 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=32) 0 -15.283806 8.602567 -4.987005 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=32) 0 -14.325436 9.255961 -5.400056 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=33) 0 -15.235483 7.872567 -3.866174 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=33) 0 -16.024848 7.260663 -3.707984 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=33) 0 -14.480655 8.257578 -2.661249 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=33) 0 -14.087233 9.259956 -2.827681 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=33) 0 -15.469588 8.347406 -1.477066 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=33) 0 -14.991309 8.891772 -0.667820 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=33) 0 -16.343761 8.918752 -1.777192 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=33) 0 -15.929625 7.004676 -0.919788 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=33) 0 -15.591568 5.935485 -1.398043 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=33) 0 -16.736181 6.995867 0.112567 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=33) 0 -17.033209 6.103749 0.459452 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=33) 0 -17.061130 7.865513 0.525371 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=33) 0 -13.252932 7.391249 -2.314742 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=33) 0 -12.755861 7.458900 -1.184651 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=34) 0 -12.796923 6.543872 -3.238568 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=34) 0 -13.282032 6.506474 -4.123535 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=34) 0 -11.799576 5.515150 -2.942673 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=34) 0 -12.130634 4.973096 -2.056321 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=34) 0 -11.743186 4.521626 -4.098632 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=34) 0 -12.734808 4.086815 -4.220682 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=34) 0 -11.487220 5.041926 -5.022729 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=34) 0 -10.742815 3.414230 -3.849838 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=34) 0 -11.091602 2.345617 -3.007416 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=34) 0 -12.076630 2.305403 -2.571787 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=34) 0 -10.161511 1.332772 -2.730596 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=34) 0 -10.431555 0.524795 -2.070241 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=34) 0 -8.885964 1.374752 -3.318112 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=34) 0 -8.167592 0.595262 -3.119504 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=34) 0 -8.541752 2.430022 -4.177297 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=34) 0 -7.571779 2.439072 -4.652616 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=34) 0 -9.463234 3.459629 -4.432673 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=34) 0 -9.191964 4.272077 -5.092768 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=34) 0 -10.406035 6.068190 -2.619553 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=34) 0 -9.875090 5.791410 -1.543198 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=35) 0 -9.817292 6.881397 -3.501330 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=35) 0 -10.260644 7.058924 -4.392664 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=35) 0 -8.507264 7.476561 -3.232248 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=35) 0 -7.806277 6.673862 -2.998461 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=35) 0 -8.010601 8.175623 -4.493438 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=35) 0 -8.654777 9.022823 -4.720865 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=35) 0 -6.993226 8.530141 -4.327162 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=35) 0 -8.007839 7.479495 -5.331477 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=35) 0 -8.538671 8.425120 -2.017425 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=35) 0 -7.568865 8.496676 -1.272669 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=36) 0 -9.677512 9.062285 -1.735337 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=36) 0 -10.426170 9.013102 -2.416903 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=36) 0 -9.928515 9.833227 -0.511530 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=36) 0 -9.149441 10.587787 -0.397123 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=36) 0 -11.272562 10.547527 -0.703778 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=36) 0 -11.159712 11.284164 -1.499528 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=36) 0 -12.004200 9.814533 -1.033705 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=36) 0 -11.861790 11.259478 0.513393 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=36) 0 -11.814561 10.626129 1.395441 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=36) 0 -11.298176 12.168432 0.718828 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=36) 0 -13.323689 11.579531 0.217235 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=36) 0 -13.591178 12.448518 -0.644592 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=36) 0 -14.225348 10.939135 0.811223 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=36) 0 -9.928775 8.954140 0.755273 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=36) 0 -9.551341 9.424988 1.832242 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=37) 0 -10.320043 7.680519 0.661613 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=37) 0 -10.636364 7.331899 -0.236956 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=37) 0 -10.199775 6.726744 1.763335 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=37) 0 -10.513678 7.204839 2.688240 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=37) 0 -11.136584 5.546848 1.524233 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=37) 0 -12.148555 5.919725 1.373831 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=37) 0 -10.820022 4.984614 0.648468 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=37) 0 -11.119166 4.888473 2.391948 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=37) 0 -8.746844 6.288958 1.964065 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=37) 0 -8.272854 6.291862 3.099763 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=38) 0 -8.008761 6.024711 0.878737 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=38) 0 -8.466836 6.034089 -0.027734 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=38) 0 -6.561194 5.798729 0.946442 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=38) 0 -6.368643 4.954500 1.609201 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=38) 0 -5.997344 5.471567 -0.451353 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=38) 0 -6.126781 6.342398 -1.092558 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=38) 0 -4.928711 5.300952 -0.326904 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=38) 0 -6.554935 4.261340 -1.214378 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=38) 0 -7.572269 4.469527 -1.540126 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=38) 0 -5.676537 4.035514 -2.445860 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=38) 0 -4.649648 3.819013 -2.148855 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=38) 0 -6.060761 3.196547 -3.021902 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=38) 0 -5.681791 4.929963 -3.067382 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=38) 0 -6.555885 2.990827 -0.374180 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=38) 0 -7.274949 3.101653 0.428113 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=38) 0 -6.859025 2.144809 -0.990890 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=38) 0 -5.564632 2.816538 0.044154 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=38) 0 -5.830088 7.020809 1.542481 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=38) 0 -4.947814 6.876017 2.388350 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=39) 0 -6.217353 8.233170 1.148494 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=39) 0 -6.891697 8.295516 0.392907 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=39) 0 -5.615787 9.479808 1.613622 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=39) 0 -4.533874 9.357088 1.585136 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=39) 0 -5.983520 10.587759 0.624480 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=39) 0 -7.058873 10.753995 0.625977 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=39) 0 -5.474048 11.513093 0.896599 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=39) 0 -5.671388 10.297061 -0.378363 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=39) 0 -5.986892 9.846194 3.063488 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=39) 0 -5.369986 10.741710 3.641468 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=40) 0 -6.953052 9.154275 3.676050 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=40) 0 -7.461606 8.472249 3.130601 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=40) 0 -7.281249 9.270792 5.099328 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=40) 0 -6.850209 10.188433 5.504235 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=40) 0 -8.800035 9.386325 5.229644 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=40) 0 -9.277264 8.480502 4.854434 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=40) 0 -9.058783 9.523545 6.279961 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=40) 0 -9.155152 10.248644 4.664912 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=40) 0 -6.728208 8.102398 5.939264 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=40) 0 -6.355035 8.306596 7.093669 L N-N--0.415700(PDBName=N,ResName=HID,ResNum=41) 0 -6.630984 6.898679 5.364845 L H-H-0.271900(PDBName=H,ResName=HID,ResNum=41) 0 -6.980779 6.793368 4.418870 L C-CT-0.018800(PDBName=CA,ResName=HID,ResNum=41) 0 -6.214528 5.668054 6.042166 L H-H1-0.088100(PDBName=HA,ResName=HID,ResNum=41) 0 -5.914856 5.896932 7.063264 L C-CT--0.046200(PDBName=CB,ResName=HID,ResNum=41) 0 -7.407314 4.708428 6.117630 L H-HC-0.040200(PDBName=HB2,ResName=HID,ResNum=41) 0 -7.702992 4.422709 5.108706 L H-HC-0.040200(PDBName=HB3,ResName=HID,ResNum=41) 0 -7.100188 3.806293 6.647188 L C-CC--0.026600(PDBName=CG,ResName=HID,ResNum=41) 0 -8.597721 5.308555 6.819734 L N-NA--0.381100(PDBName=ND1,ResName=HID,ResNum=41) 0 -8.687555 5.605189 8.159320 L H-H-0.364900(PDBName=HD1,ResName=HID,ResNum=41) 0 -7.955009 5.473948 8.857320 L C-CR-0.205700(PDBName=CE1,ResName=HID,ResNum=41) 0 -9.897386 6.133517 8.390160 L H-H5-0.139200(PDBName=HE1,ResName=HID,ResNum=41) 0 -10.253849 6.442614 9.364947 L N-NB--0.572700(PDBName=NE2,ResName=HID,ResNum=41) 0 -10.597730 6.222441 7.244534 L C-CV-0.129200(PDBName=CD2,ResName=HID,ResNum=41) 0 -9.774513 5.696938 6.240720 L H-H4-0.114700(PDBName=HD2,ResName=HID,ResNum=41) 0 -10.015424 5.618466 5.189506 L C-C-0.597300(PDBName=C,ResName=HID,ResNum=41) 0 -5.013760 5.043288 5.323522 L O-O--0.567900(PDBName=O,ResName=HID,ResNum=41) 0 -5.152610 4.401517 4.279305 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=42) 0 -3.812724 5.257030 5.874658 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=42) 0 -3.791197 5.734230 6.772929 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=42) 0 -2.531661 5.063366 5.165279 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=42) 0 -2.613916 5.538691 4.187144 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=42) 0 -1.398624 5.773566 5.929650 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=42) 0 -1.575736 5.717753 7.004943 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=42) 0 -0.453744 5.263543 5.730113 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=42) 0 -1.217090 7.240277 5.501699 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=42) 0 -0.409748 7.665159 6.099927 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=42) 0 -0.903395 7.254659 4.457334 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=42) 0 -2.460084 8.133649 5.642793 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=42) 0 -3.241389 7.801213 4.957687 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=42) 0 -2.826354 8.097180 6.669171 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=42) 0 -2.062743 9.567394 5.293122 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=42) 0 -1.274149 9.886618 5.980500 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=42) 0 -1.645269 9.585218 4.283785 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=42) 0 -3.201398 10.506386 5.381317 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=42) 0 -3.627927 10.484386 6.302540 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=42) 0 -2.889950 11.463358 5.255289 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=42) 0 -3.907536 10.346264 4.670300 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=42) 0 -2.177472 3.609624 4.830388 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=42) 0 -1.312233 3.404842 3.982940 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=43) 0 -2.881971 2.633292 5.407186 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=43) 0 -3.587183 2.904279 6.073805 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=43) 0 -2.837553 1.217278 5.025500 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=43) 0 -2.335293 1.114843 4.061773 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=43) 0 -2.064794 0.399456 6.073582 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=43) 0 -2.676997 0.321520 6.969276 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=43) 0 -1.917534 -0.604301 5.682732 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=43) 0 -0.726687 0.987971 6.466717 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=43) 0 0.221243 1.272899 5.469526 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=43) 0 0.033299 0.997351 4.441405 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=43) 0 1.350532 2.043472 5.783197 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=43) 0 2.027269 2.336351 4.999508 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=43) 0 1.563568 2.489787 7.103293 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=43) 0 2.600547 3.319082 7.373874 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=43) 0 2.973289 3.639876 6.528845 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=43) 0 0.669690 2.110572 8.123751 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=43) 0 0.836840 2.445091 9.138725 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=43) 0 -0.483497 1.372606 7.800831 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=43) 0 -1.204966 1.159000 8.578300 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=43) 0 -4.262652 0.678767 4.886534 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=43) 0 -5.065452 0.825583 5.813385 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=44) 0 -4.580397 0.048384 3.753117 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=44) 0 -3.886718 -0.026872 3.011503 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=44) 0 -5.940643 -0.403195 3.455944 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=44) 0 -6.453028 -0.560820 4.402189 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=44) 0 -6.679762 0.707438 2.671327 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=44) 0 -5.982917 1.515226 2.439854 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=44) 0 -7.051129 0.321225 1.720469 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=44) 0 -7.851722 1.282889 3.482057 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=44) 0 -7.519708 1.464675 4.502564 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=44) 0 -8.333931 2.611099 2.904286 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=44) 0 -7.489032 3.293023 2.810093 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=44) 0 -8.800862 2.457279 1.932301 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=44) 0 -9.048659 3.068416 3.581209 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=44) 0 -9.035561 0.312109 3.492004 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=44) 0 -8.726981 -0.662521 3.859425 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=44) 0 -9.821251 0.693637 4.139917 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=44) 0 -9.417757 0.190135 2.479528 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=44) 0 -5.966654 -1.745001 2.719647 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=44) 0 -5.312342 -1.902704 1.691787 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=45) 0 -6.765181 -2.693618 3.217253 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=45) 0 -7.246921 -2.501333 4.089778 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=45) 0 -7.104964 -3.928477 2.502403 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=45) 0 -6.448716 -4.017236 1.639111 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=45) 0 -6.876710 -5.149980 3.413129 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=45) 0 -6.067787 -4.944539 4.112073 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=45) 0 -7.782153 -5.311503 3.992691 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=45) 0 -6.547711 -6.439154 2.638427 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=45) 0 -7.203699 -6.524718 1.774374 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=45) 0 -5.100500 -6.440777 2.158452 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=45) 0 -4.413857 -6.409528 3.002252 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=45) 0 -4.912091 -7.343234 1.585781 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=45) 0 -4.931146 -5.584507 1.517931 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=45) 0 -6.727280 -7.669486 3.522475 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=45) 0 -6.584466 -8.569940 2.926589 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=45) 0 -6.000776 -7.655613 4.333961 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=45) 0 -7.738188 -7.687706 3.928446 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=45) 0 -8.546558 -3.849453 1.981575 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=45) 0 -9.463512 -3.514857 2.727243 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=46) 0 -8.783904 -4.191502 0.719447 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=46) 0 -7.996125 -4.516473 0.168605 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=46) 0 -10.026523 -3.897979 -0.008984 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=46) 0 -10.745708 -3.447746 0.672842 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=46) 0 -9.769633 -2.873850 -1.133721 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=46) 0 -9.188441 -3.346354 -1.925921 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=46) 0 -11.099005 -2.378632 -1.717669 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=46) 0 -11.689158 -1.875721 -0.952844 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=46) 0 -10.907216 -1.690830 -2.539758 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=46) 0 -11.673856 -3.216770 -2.114158 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=46) 0 -8.979569 -1.647651 -0.647660 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=46) 0 -8.001830 -1.946109 -0.271024 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=46) 0 -8.810925 -0.971374 -1.481817 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=46) 0 -9.520637 -1.127839 0.140015 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=46) 0 -10.644346 -5.177040 -0.573713 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=46) 0 -10.058924 -5.823114 -1.436813 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=47) 0 -11.831048 -5.512681 -0.080790 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=47) 0 -12.225622 -4.905201 0.628753 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=47) 0 -12.746774 -6.549857 -0.557049 L H-HC 1 0.0000 H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=47) 0 -12.183014 -7.419888 -0.896327 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=47) 0 -13.581763 -6.009304 -1.729394 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=47) 0 -14.174864 -4.936998 -1.634682 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=48) 0 -13.672462 -6.759372 -2.824751 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=48) 0 -13.105383 -7.600021 -2.869643 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=48) 0 -14.544663 -6.487247 -3.970566 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=48) 0 -15.184254 -5.632282 -3.760811 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=48) 0 -13.705268 -6.176811 -5.217994 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=48) 0 -13.182370 -7.082065 -5.504823 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=48) 0 -14.386948 -5.935173 -6.034321 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=48) 0 -12.668424 -5.072008 -5.099716 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=48) 0 -12.941155 -3.795242 -5.617064 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=48) 0 -13.913303 -3.592778 -6.032858 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=48) 0 -11.957106 -2.790478 -5.605425 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=48) 0 -12.173044 -1.815146 -6.018805 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=48) 0 -10.688985 -3.060158 -5.063787 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=48) 0 -9.929022 -2.290535 -5.053120 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=48) 0 -10.418196 -4.329469 -4.523641 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=48) 0 -9.456969 -4.538750 -4.083885 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=48) 0 -11.402247 -5.332252 -4.543010 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=48) 0 -11.181638 -6.302417 -4.124158 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=48) 0 -15.422075 -7.724074 -4.190847 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=48) 0 -14.887110 -8.807711 -4.440025 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=49) 0 -16.742280 -7.599158 -4.029290 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=49) 0 -17.141533 -6.672004 -3.915975 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=49) 0 -17.594167 -8.749758 -3.692815 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=49) 0 -17.085579 -9.664698 -3.999972 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=49) 0 -17.750432 -8.822804 -2.165705 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=49) 0 -18.131698 -9.809172 -1.921292 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=49) 0 -16.764471 -8.745135 -1.709285 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=49) 0 -18.674731 -7.806704 -1.518044 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=49) 0 -19.930116 -8.221928 -1.030559 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=49) 0 -20.242148 -9.250057 -1.149664 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=49) 0 -20.778907 -7.300441 -0.389048 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=49) 0 -21.742129 -7.609777 -0.023243 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=49) 0 -20.385776 -5.952819 -0.256245 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=49) 0 -21.195057 -5.069327 0.384121 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=49) 0 -20.908231 -4.153646 0.203199 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=49) 0 -19.143310 -5.530042 -0.771321 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=49) 0 -18.854703 -4.494080 -0.689705 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=49) 0 -18.279384 -6.462383 -1.376938 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=49) 0 -17.316460 -6.140906 -1.745857 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=49) 0 -18.958451 -8.766803 -4.392530 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=49) 0 -19.488890 -7.719583 -4.768339 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=50) 0 -19.531616 -9.966909 -4.533814 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=50) 0 -19.038549 -10.773011 -4.149812 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=50) 0 -20.860353 -10.201374 -5.100418 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=50) 0 -21.254185 -9.251501 -5.461257 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=50) 0 -20.732778 -11.129460 -6.314913 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=50) 0 -20.132023 -10.646195 -7.085775 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=50) 0 -20.249949 -12.063222 -6.026469 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=50) 0 -21.719530 -11.343939 -6.727518 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=50) 0 -21.812358 -10.764612 -4.021182 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=50) 0 -21.512677 -11.802606 -3.413218 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=51) 0 -22.983234 -10.138868 -3.779921 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=51) 0 -23.647968 -9.195628 -4.670245 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=51) 0 -23.540411 -9.480381 -5.718188 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=51) 0 -23.253528 -8.190436 -4.507778 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=51) 0 -25.116596 -9.250429 -4.264911 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=51) 0 -25.591618 -10.125389 -4.708132 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=51) 0 -25.657371 -8.348680 -4.543587 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=51) 0 -25.012314 -9.424187 -2.750037 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=51) 0 -25.925879 -9.852358 -2.336737 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=51) 0 -24.807279 -8.456182 -2.289236 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=51) 0 -23.796599 -10.347080 -2.570309 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=51) 0 -23.236036 -10.029992 -1.690559 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=51) 0 -24.234240 -11.803663 -2.359901 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=51) 0 -24.337891 -12.289362 -1.232123 L N-N--0.415700(PDBName=N,ResName=TRP,ResNum=52) 0 -24.451846 -12.542744 -3.445362 L H-H-0.271900(PDBName=H,ResName=TRP,ResNum=52) 0 -24.413454 -12.082025 -4.346684 L C-CT--0.005000(PDBName=CB,ResName=TRP,ResNum=52) 0 -25.945311 -14.109016 -4.535483 L H-HC-0.033900(PDBName=HB2,ResName=TRP,ResNum=52) 0 -26.185345 -15.166312 -4.657803 L H-HC-0.033900(PDBName=HB3,ResName=TRP,ResNum=52) 0 -26.862247 -13.601760 -4.229834 L C-C*--0.141500(PDBName=CG,ResName=TRP,ResNum=52) 0 -25.514360 -13.548856 -5.850551 L C-CW--0.163800(PDBName=CD1,ResName=TRP,ResNum=52) 0 -25.980604 -12.417902 -6.428300 L H-H4-0.206200(PDBName=HD1,ResName=TRP,ResNum=52) 0 -26.790998 -11.801790 -6.052933 L N-NA--0.341800(PDBName=NE1,ResName=TRP,ResNum=52) 0 -25.264557 -12.161570 -7.579308 L H-H-0.341200(PDBName=HE1,ResName=TRP,ResNum=52) 0 -25.494111 -11.412641 -8.230229 L C-CN-0.138000(PDBName=CE2,ResName=TRP,ResNum=52) 0 -24.320016 -13.132441 -7.812816 L C-CA--0.260100(PDBName=CZ2,ResName=TRP,ResNum=52) 0 -23.387390 -13.330664 -8.833242 L H-HA-0.157200(PDBName=HZ2,ResName=TRP,ResNum=52) 0 -23.304033 -12.629110 -9.652124 L C-CA--0.113400(PDBName=CH2,ResName=TRP,ResNum=52) 0 -22.637524 -14.512090 -8.834818 L H-HA-0.141700(PDBName=HH2,ResName=TRP,ResNum=52) 0 -21.977726 -14.715083 -9.659294 L C-CA--0.197200(PDBName=CZ3,ResName=TRP,ResNum=52) 0 -22.766198 -15.443071 -7.791785 L H-HA-0.144700(PDBName=HZ3,ResName=TRP,ResNum=52) 0 -22.175133 -16.345318 -7.802980 L C-CA--0.238700(PDBName=CE3,ResName=TRP,ResNum=52) 0 -23.692479 -15.226326 -6.762001 L H-HA-0.170000(PDBName=HE3,ResName=TRP,ResNum=52) 0 -23.842880 -15.991306 -6.020321 L C-CB-0.124300(PDBName=CD2,ResName=TRP,ResNum=52) 0 -24.490678 -14.063468 -6.747592 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=57) 0 -20.188489 -14.679787 2.186115 L H-H 153 0.0000 H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=57) 0 -20.425976 -13.691458 2.583238 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=57) 0 -21.493587 -15.452758 1.968617 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=57) 0 -21.245239 -16.408508 1.508037 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=57) 0 -21.936178 -15.664300 2.941925 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=57) 0 -22.564070 -14.740009 1.123160 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=57) 0 -22.993605 -13.909619 1.685227 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=57) 0 -22.146185 -14.364166 0.191327 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=57) 0 -23.636816 -15.790930 0.826680 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=57) 0 -23.161952 -16.628702 0.316333 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=57) 0 -24.042187 -16.138677 1.777866 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=57) 0 -24.800948 -15.322249 -0.037953 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=57) 0 -25.436988 -14.653682 0.551490 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=57) 0 -24.415541 -14.756040 -0.886774 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=57) 0 -25.585395 -16.493219 -0.506695 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=57) 0 -25.114975 -17.000075 -1.254549 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=57) 0 -25.706924 -17.168384 0.245358 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=57) 0 -26.500914 -16.198336 -0.842310 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=57) 0 -19.330603 -15.397015 3.249847 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=57) 0 -19.687871 -15.361453 4.434952 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=58) 0 -18.210408 -16.025318 2.862992 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=58) 0 -17.994420 -16.081030 1.873005 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=58) 0 -17.193535 -16.515441 3.793339 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=58) 0 -17.681967 -16.932773 4.671943 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=58) 0 -16.403050 -17.656506 3.139443 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=58) 0 -17.086716 -18.425596 2.778810 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=58) 0 -15.806025 -17.286926 2.307594 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=58) 0 -15.733121 -18.102089 3.876750 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=58) 0 -16.286184 -15.363828 4.261272 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=58) 0 -16.017796 -15.249131 5.455794 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=59) 0 -15.891314 -14.474869 3.338977 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=59) 0 -16.142453 -14.651246 2.372297 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=59) 0 -15.020608 -13.329254 3.623990 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=59) 0 -14.189103 -13.680222 4.238867 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=59) 0 -14.464896 -12.796120 2.289947 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=59) 0 -15.301295 -12.426027 1.699698 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=59) 0 -14.015521 -13.614646 1.732484 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=59) 0 -13.429148 -11.661841 2.437153 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=59) 0 -13.849818 -10.847248 3.025009 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=59) 0 -12.131023 -12.143643 3.084687 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=59) 0 -11.719650 -12.976433 2.521704 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=59) 0 -12.311768 -12.448811 4.116246 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=59) 0 -11.396745 -11.339739 3.091348 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=59) 0 -13.071346 -11.112804 1.061203 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=59) 0 -12.565679 -11.876098 0.473371 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=59) 0 -13.977880 -10.804274 0.545987 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=59) 0 -12.420891 -10.245002 1.174255 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=59) 0 -15.716623 -12.201764 4.404651 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=59) 0 -15.128363 -11.662772 5.333755 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=60) 0 -16.944707 -11.814788 4.045698 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=60) 0 -17.371497 -12.268559 3.247861 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=60) 0 -17.534924 -10.554080 4.517538 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=60) 0 -16.867309 -9.757250 4.184480 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=60) 0 -18.875562 -10.315910 3.806347 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=60) 0 -19.269749 -9.341686 4.099715 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=60) 0 -18.723073 -10.312007 2.726602 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=60) 0 -19.602778 -11.083538 4.060654 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=60) 0 -17.629740 -10.399947 6.060107 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=60) 0 -17.243344 -9.332360 6.551985 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=61) 0 -18.043539 -11.422641 6.846584 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=61) 0 -18.657232 -12.677018 6.435558 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=61) 0 -17.893236 -13.454214 6.380204 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=61) 0 -19.181238 -12.601873 5.486309 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=61) 0 -19.647829 -13.003784 7.546695 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=61) 0 -19.881836 -14.067805 7.583638 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=61) 0 -20.554089 -12.409016 7.420317 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=61) 0 -18.895373 -12.542294 8.792701 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=61) 0 -18.235437 -13.345361 9.127484 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=61) 0 -19.581655 -12.261952 9.592985 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=61) 0 -18.069874 -11.338152 8.314990 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=61) 0 -18.580683 -10.419728 8.608292 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=61) 0 -16.671696 -11.360832 8.953473 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=61) 0 -16.482468 -10.863543 10.065277 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=62) 0 -15.683827 -11.913748 8.246329 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=62) 0 -15.891619 -12.274414 7.324901 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=62) 0 -14.279819 -11.951973 8.664581 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=62) 0 -14.237500 -12.073739 9.742916 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=62) 0 -13.575260 -13.148127 8.011720 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=62) 0 -13.758967 -13.149658 6.938091 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=62) 0 -12.501225 -13.052619 8.168375 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=62) 0 -14.056984 -14.478800 8.607717 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=62) 0 -15.133362 -14.576632 8.450722 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=62) 0 -13.570514 -15.298104 8.075182 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=62) 0 -13.741206 -14.592108 10.104776 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=62) 0 -14.378082 -15.409196 10.808178 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=62) 0 -12.838669 -13.886753 10.602038 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=62) 0 -13.554220 -10.642753 8.357273 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=62) 0 -12.771609 -10.165218 9.173478 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=63) 0 -13.917004 -9.979531 7.259294 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=63) 0 -14.514294 -10.458835 6.594595 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=63) 0 -13.583887 -8.578860 7.011702 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=63) 0 -12.497714 -8.477235 7.027558 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=63) 0 -14.106315 -8.169230 5.624853 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=63) 0 -14.659779 -8.986407 5.161113 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=63) 0 -14.798830 -7.332307 5.724973 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=63) 0 -12.982161 -7.776626 4.699092 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=63) 0 -12.035200 -8.740155 4.306741 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=63) 0 -12.145083 -9.761080 4.643005 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=63) 0 -10.938597 -8.366684 3.508297 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=63) 0 -10.196596 -9.090636 3.206622 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=63) 0 -10.798984 -7.022533 3.113125 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=63) 0 -9.758396 -6.637947 2.346329 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=63) 0 -9.822619 -5.702006 2.142142 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=63) 0 -11.744298 -6.060128 3.507896 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=63) 0 -11.621335 -5.035407 3.206995 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=63) 0 -12.844164 -6.440326 4.291385 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=63) 0 -13.579893 -5.707820 4.583124 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=63) 0 -14.132735 -7.667626 8.116765 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=63) 0 -13.427436 -6.777580 8.590620 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=64) 0 -15.349732 -7.939817 8.599185 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=64) 0 -15.905279 -8.647024 8.134985 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=64) 0 -15.911426 -7.261851 9.762483 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=64) 0 -15.800301 -6.186336 9.614495 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=64) 0 -17.414118 -7.555063 9.820331 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=64) 0 -17.601705 -8.624324 9.854915 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=64) 0 -17.844908 -7.099316 10.709317 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=64) 0 -17.902815 -7.140655 8.937862 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=64) 0 -15.156887 -7.602537 11.067959 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=64) 0 -14.837598 -6.678416 11.821197 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=65) 0 -14.779049 -8.869399 11.322777 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=65) 0 -15.094057 -9.600709 10.692986 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=65) 0 -13.928753 -9.238471 12.479171 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=65) 0 -14.405883 -8.891702 13.397692 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=65) 0 -13.706421 -10.761565 12.582180 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=65) 0 -13.689609 -11.192809 11.584631 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=65) 0 -12.730178 -10.919062 13.039683 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=65) 0 -14.699123 -11.533834 13.461053 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=65) 0 -14.559388 -11.232485 14.500161 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=65) 0 -15.714552 -11.283577 13.161213 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=65) 0 -14.531326 -13.062372 13.348347 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=65) 0 -15.181222 -13.537600 14.083518 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=65) 0 -14.886556 -13.353660 12.359928 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=65) 0 -13.093678 -13.592117 13.531878 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=65) 0 -12.441427 -13.062157 12.832750 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=65) 0 -12.751730 -13.399681 14.551829 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=65) 0 -13.014387 -15.040551 13.218395 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=65) 0 -13.405722 -15.193959 12.284524 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=65) 0 -12.062897 -15.387941 13.176014 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=65) 0 -13.537690 -15.594432 13.887876 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=65) 0 -12.568252 -8.540602 12.413117 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=65) 0 -12.109994 -8.045745 13.437538 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=66) 0 -11.948545 -8.457624 11.234317 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=66) 0 -12.361736 -8.950017 10.449345 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=66) 0 -10.674405 -7.776328 11.010887 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=66) 0 -9.943360 -8.152127 11.727491 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=66) 0 -10.171398 -8.112862 9.603077 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=66) 0 -9.214055 -7.620002 9.431459 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=66) 0 -10.036424 -9.187758 9.503029 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=66) 0 -10.888217 -7.778200 8.853419 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=66) 0 -10.787068 -6.257905 11.212959 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=66) 0 -9.924758 -5.665981 11.858765 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=67) 0 -11.861733 -5.629185 10.725004 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=67) 0 -12.507012 -6.149927 10.138887 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=67) 0 -12.119743 -4.205829 10.934402 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=67) 0 -11.244994 -3.642018 10.622969 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=67) 0 -13.306292 -3.780738 10.067920 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=67) 0 -13.470756 -2.711028 10.184243 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=67) 0 -13.091511 -3.993478 9.024170 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=67) 0 -14.208810 -4.316581 10.363597 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=67) 0 -12.352085 -3.866265 12.409709 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=67) 0 -11.770848 -2.900175 12.909181 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=68) 0 -13.139553 -4.689673 13.109253 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=68) 0 -13.579452 -5.457960 12.614519 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=68) 0 -13.374005 -4.575491 14.547770 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=68) 0 -13.770765 -3.585875 14.775705 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=68) 0 -14.105664 -5.324929 14.850472 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=68) 0 -12.093044 -4.794222 15.353072 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=68) 0 -11.780575 -3.970423 16.210769 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=69) 0 -11.317414 -5.834379 15.007412 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=69) 0 -11.675637 -6.467495 14.300021 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=69) 0 -9.999431 -6.152087 15.577033 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=69) 0 -10.108720 -6.314172 16.651442 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=69) 0 -9.437234 -7.441522 14.950010 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=69) 0 -10.019088 -8.282943 15.318236 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=69) 0 -9.548752 -7.398408 13.867840 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=69) 0 -7.949294 -7.682441 15.257682 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=69) 0 -7.347514 -6.986329 14.672083 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=69) 0 -7.758270 -7.495195 16.315492 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=69) 0 -7.520675 -9.108999 14.888249 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=69) 0 -8.185296 -9.515035 14.123892 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=69) 0 -6.511365 -9.088799 14.475827 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=69) 0 -7.540577 -10.017126 16.118498 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=69) 0 -8.407537 -9.772019 16.738093 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=69) 0 -7.636096 -11.053165 15.782772 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=69) 0 -6.286501 -9.879402 16.893144 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=69) 0 -5.518699 -10.230699 16.327831 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=69) 0 -6.052065 -8.903157 17.090231 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=69) 0 -6.311935 -10.423990 17.749727 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=69) 0 -9.028601 -4.996395 15.426831 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=69) 0 -8.605491 -4.452748 16.433698 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=70) 0 -8.696641 -4.580538 14.204676 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=70) 0 -9.101233 -5.048598 13.401414 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=70) 0 -7.686969 -3.540460 13.993686 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=70) 0 -6.782746 -3.842280 14.519467 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=70) 0 -7.368153 -3.422806 12.490716 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=70) 0 -8.296731 -3.471600 11.919925 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=70) 0 -6.916284 -2.451346 12.293750 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=70) 0 -6.394404 -4.513552 11.998894 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=70) 0 -6.748848 -5.493044 12.318747 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=70) 0 -6.310364 -4.499975 10.472416 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=70) 0 -6.222447 -3.477188 10.110881 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=70) 0 -5.456641 -5.081509 10.127875 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=70) 0 -7.210327 -4.951216 10.069389 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=70) 0 -4.975800 -4.302978 12.530546 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=70) 0 -4.628338 -3.309286 12.260673 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=70) 0 -4.954474 -4.403243 13.613489 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=70) 0 -4.303812 -5.051484 12.114996 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=70) 0 -8.105072 -2.209269 14.635425 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=70) 0 -7.263566 -1.518587 15.208306 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=71) 0 -9.405998 -1.893168 14.660160 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=71) 0 -10.060485 -2.504381 14.186155 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=71) 0 -9.920244 -0.700648 15.344147 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=71) 0 -9.279876 0.138409 15.066610 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=71) 0 -11.325934 -0.409947 14.806115 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=71) 0 -11.252782 -0.346313 13.719560 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=71) 0 -11.991231 -1.238361 15.055557 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=71) 0 -11.942592 0.898740 15.316941 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=71) 0 -12.300826 0.752276 16.334412 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=71) 0 -11.194155 1.688849 15.310874 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=71) 0 -13.106431 1.297820 14.398440 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=71) 0 -12.711930 1.745043 13.484209 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=71) 0 -13.647881 0.393721 14.123340 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=71) 0 -14.120260 2.246433 15.041197 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=71) 0 -14.924556 2.425189 14.324562 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=71) 0 -14.566605 1.751538 15.908811 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=71) 0 -13.550593 3.547090 15.458555 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=71) 0 -13.079174 4.040433 14.706775 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=71) 0 -14.318611 4.127604 15.795519 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=71) 0 -12.930869 3.420748 16.253898 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=71) 0 -9.830083 -0.818890 16.871604 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=71) 0 -9.483585 0.173341 17.511877 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=72) 0 -10.034776 -2.003859 17.450165 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=72) 0 -10.334178 -2.777045 16.867349 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=72) 0 -9.845058 -2.278374 18.878964 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=72) 0 -10.290579 -1.464820 19.452145 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=72) 0 -10.606149 -3.561960 19.226171 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=72) 0 -10.175713 -4.412394 18.695298 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=72) 0 -10.546915 -3.745295 20.298106 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=72) 0 -11.655572 -3.459926 18.949824 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=72) 0 -8.356171 -2.359330 19.281654 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=72) 0 -7.970603 -1.841688 20.330910 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=73) 0 -7.489285 -2.883362 18.412552 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=73) 0 -7.879597 -3.358463 17.604369 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=73) 0 -6.019512 -2.843309 18.508524 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=73) 0 -5.725405 -3.203617 19.492165 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=73) 0 -5.394492 -3.791299 17.460979 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=73) 0 -5.778162 -3.528978 16.476339 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=73) 0 -4.315511 -3.634813 17.451587 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=73) 0 -5.648245 -5.288978 17.735147 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=73) 0 -5.257378 -5.528631 18.723702 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=73) 0 -6.719191 -5.485496 17.757375 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=73) 0 -4.989431 -6.227271 16.706106 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=73) 0 -4.399881 -5.748339 15.710978 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=73) 0 -5.035489 -7.468536 16.900548 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=73) 0 -5.446175 -1.411831 18.367655 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=73) 0 -4.230814 -1.212149 18.455888 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=74) 0 -6.303248 -0.402683 18.162530 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=74) 0 -7.283631 -0.634046 18.091378 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=74) 0 -5.928987 1.008280 18.036360 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=74) 0 -6.822324 1.620372 18.156634 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=74) 0 -5.226177 1.264374 18.829605 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=74) 0 -5.284107 1.361358 16.693119 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=74) 0 -4.745121 2.458314 16.544763 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=75) 0 -5.330317 0.457277 15.715911 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=75) 0 -5.882795 -0.380113 15.868456 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=75) 0 -4.577493 0.534270 14.466867 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=75) 0 -3.547779 0.797380 14.709114 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=75) 0 -4.564089 -0.832175 13.786519 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=75) 0 -4.296051 -1.609873 14.503167 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=75) 0 -5.553045 -1.043836 13.383461 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=75) 0 -3.630853 -0.816049 12.731975 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=75) 0 -2.804964 -1.228762 13.069567 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=75) 0 -5.119242 1.564743 13.480252 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=75) 0 -6.330420 1.702395 13.276894 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=76) 0 -4.196843 2.234956 12.799144 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=76) 0 -3.224027 2.077443 13.057262 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=76) 0 -4.432886 3.073005 11.625551 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=76) 0 -5.299014 3.702831 11.832471 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=76) 0 -3.220193 4.005610 11.426149 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=76) 0 -3.522005 4.791580 10.735535 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=76) 0 -2.987908 4.494218 12.373695 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=76) 0 -1.934378 3.366795 10.859025 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=76) 0 -2.157290 2.965241 9.868611 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=76) 0 -1.198614 4.161722 10.721312 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=76) 0 -1.303476 2.267124 11.731938 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=76) 0 -1.424538 2.325896 12.980283 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=76) 0 -0.712128 1.329141 11.156093 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=76) 0 -4.759319 2.268763 10.349866 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=76) 0 -5.287507 2.841876 9.393991 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=77) 0 -4.482384 0.957955 10.332165 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=77) 0 -4.073362 0.546545 11.166684 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=77) 0 -4.802900 0.047115 9.222660 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=77) 0 -4.462248 0.500182 8.293682 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=77) 0 -4.117382 -1.329507 9.405605 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=77) 0 -4.602845 -1.819980 10.249634 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=77) 0 -4.335430 -2.196722 8.149703 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=77) 0 -5.395887 -2.397154 7.996228 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=77) 0 -3.938889 -1.695812 7.267410 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=77) 0 -3.833123 -3.152802 8.268879 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=77) 0 -2.607132 -1.264984 9.724550 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=77) 0 -2.042265 -1.045938 8.821407 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=77) 0 -2.407619 -0.470210 10.437153 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=77) 0 -2.091405 -2.566221 10.356478 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=77) 0 -2.069096 -3.372155 9.625331 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=77) 0 -1.089141 -2.405592 10.746054 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=77) 0 -2.722115 -2.860788 11.190546 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=77) 0 -6.319429 -0.159806 9.152021 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=77) 0 -6.937761 -0.476742 10.171721 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=78) 0 -6.922035 -0.039520 7.961457 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=78) 0 -6.341341 0.205989 7.162422 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=78) 0 -8.365635 -0.258415 7.738272 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=78) 0 -8.807304 -0.637885 8.660990 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=78) 0 -9.065861 1.072178 7.387357 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=78) 0 -8.649479 1.457404 6.458113 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=78) 0 -10.126544 0.884058 7.217224 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=78) 0 -8.947395 2.173658 8.454040 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=78) 0 -7.904892 2.480625 8.534747 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=78) 0 -9.528273 3.031205 8.120374 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=78) 0 -9.439165 1.766380 9.847517 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=78) 0 -8.914488 0.871756 10.155931 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=78) 0 -9.173483 2.540312 10.563667 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=78) 0 -10.887572 1.499240 9.892571 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=78) 0 -11.155567 0.525066 9.986346 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=78) 0 -11.843088 2.396734 10.023040 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=78) 0 -11.580010 3.654105 10.201818 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=78) 0 -10.625641 3.947983 10.398464 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=78) 0 -12.329129 4.290007 10.410941 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=78) 0 -13.094320 2.047405 9.980142 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=78) 0 -13.341309 1.099211 9.717567 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=78) 0 -13.821661 2.761665 9.975252 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=78) 0 -8.661614 -1.346488 6.704542 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=78) 0 -7.791018 -1.802171 5.964224 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=79) 0 -9.929171 -1.748636 6.670408 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=79) 0 -10.573277 -1.299714 7.302691 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=79) 0 -10.505725 -2.736605 5.761219 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=79) 0 -9.758090 -3.070687 5.045634 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=79) 0 -11.037594 -3.949131 6.552102 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=79) 0 -11.815198 -3.597703 7.228453 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=79) 0 -11.526633 -4.613876 5.844427 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=79) 0 -10.055246 -4.808479 7.367651 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=79) 0 -10.630622 -5.639113 7.774682 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=79) 0 -8.933973 -5.388524 6.512942 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=79) 0 -9.359363 -5.996539 5.714129 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=79) 0 -8.333633 -4.584302 6.089870 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=79) 0 -8.291193 -6.009911 7.133668 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=79) 0 -9.423515 -4.072131 8.548351 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=79) 0 -8.478375 -3.611099 8.263885 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=79) 0 -10.094545 -3.300892 8.916249 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=79) 0 -9.241772 -4.787043 9.345514 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=79) 0 -11.666386 -2.070062 5.016900 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=79) 0 -12.461850 -1.392503 5.659318 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=80) 0 -11.801572 -2.266213 3.707758 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=80) 0 -11.096856 -2.826220 3.240160 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=80) 0 -12.860222 -1.682631 2.876150 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=80) 0 -13.585514 -1.182675 3.512055 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=80) 0 -12.228802 -0.636671 1.957368 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=80) 0 -11.798766 0.167511 2.551477 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=80) 0 -11.448685 -1.099619 1.356322 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=80) 0 -12.990964 -0.229410 1.295383 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=80) 0 -13.621462 -2.737368 2.059109 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=80) 0 -13.041054 -3.758008 1.711713 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=81) 0 -14.886718 -2.477098 1.706937 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=81) 0 -15.271972 -1.584952 1.999285 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=81) 0 -15.740512 -3.332419 0.869723 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=81) 0 -15.102300 -4.100701 0.434129 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=81) 0 -16.781008 -4.083268 1.726353 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=81) 0 -17.265958 -4.830923 1.100584 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=81) 0 -16.251213 -4.620218 2.510582 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=81) 0 -17.861830 -3.201886 2.377776 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=81) 0 -17.390045 -2.472453 3.036519 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=81) 0 -18.402644 -2.665001 1.599584 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=81) 0 -16.353090 -2.560826 -0.306576 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=81) 0 -16.899993 -1.465640 -0.144089 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=82) 0 -16.271317 -3.152908 -1.494001 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=82) 0 -15.722696 -4.006050 -1.536144 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=82) 0 -16.691929 -2.588975 -2.782356 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=82) 0 -17.116547 -1.603236 -2.631468 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=82) 0 -15.492350 -2.396294 -3.722757 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=82) 0 -15.027151 -3.359971 -3.915451 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=82) 0 -15.954313 -1.794139 -5.056886 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=82) 0 -16.512404 -0.875896 -4.879152 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=82) 0 -15.092024 -1.587166 -5.686080 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=82) 0 -16.596229 -2.498411 -5.585699 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=82) 0 -14.447847 -1.469408 -3.087194 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=82) 0 -14.917577 -0.540971 -2.766051 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=82) 0 -13.998527 -1.960554 -2.224632 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=82) 0 -13.653799 -1.254224 -3.801283 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=82) 0 -17.748705 -3.482742 -3.420825 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=82) 0 -17.463333 -4.620668 -3.797248 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=83) 0 -18.965794 -2.959480 -3.549945 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=83) 0 -19.135846 -2.022200 -3.203829 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=83) 0 -20.092963 -3.694353 -4.122382 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=83) 0 -20.106310 -4.695680 -3.684916 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=83) 0 -21.402333 -2.999261 -3.725656 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=83) 0 -21.370958 -2.736942 -2.671601 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=83) 0 -21.527274 -2.078210 -4.297441 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=83) 0 -22.592275 -3.918860 -3.962816 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=83) 0 -22.746450 -4.374419 -5.114043 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=83) 0 -23.353612 -4.189592 -3.004793 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=83) 0 -19.952354 -3.839258 -5.650025 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=83) 0 -20.030072 -2.857790 -6.400236 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=84) 0 -19.747750 -5.068663 -6.128888 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=84) 0 -19.702235 -5.852882 -5.484094 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=84) 0 -19.517320 -5.333795 -7.546051 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=84) 0 -18.859453 -4.549749 -7.923213 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=84) 0 -18.762760 -6.659287 -7.690468 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=84) 0 -18.432038 -6.769743 -8.722655 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=84) 0 -17.888792 -6.666023 -7.037635 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=84) 0 -19.417207 -7.492713 -7.431034 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=84) 0 -20.791455 -5.283696 -8.414852 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=84) 0 -20.677199 -5.404834 -9.638352 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=85) 0 -21.983518 -5.094178 -7.836398 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=85) 0 -22.037689 -5.022105 -6.820479 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=85) 0 -23.251463 -4.954281 -8.578757 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=85) 0 -23.068358 -5.095729 -9.643612 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=85) 0 -24.274659 -6.032345 -8.175005 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=85) 0 -25.150256 -5.937118 -8.816511 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=85) 0 -23.731147 -7.456381 -8.298295 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=85) 0 -22.886779 -7.606237 -7.626440 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=85) 0 -24.518681 -8.164643 -8.040960 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=85) 0 -23.422440 -7.639476 -9.325811 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=85) 0 -24.687137 -5.876520 -6.842341 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=85) 0 -25.408028 -5.209356 -6.864208 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=85) 0 -23.855569 -3.553393 -8.440732 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=85) 0 -24.456672 -3.057164 -9.394103 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=86) 0 -23.678520 -2.867405 -7.304971 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=86) 0 -23.262543 -3.368810 -6.518658 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=86) 0 -24.250651 -1.529245 -7.063895 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=86) 0 -25.047519 -1.354482 -7.786265 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=86) 0 -24.897828 -1.428237 -5.671220 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=86) 0 -24.116566 -1.414941 -4.909907 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=86) 0 -25.425729 -0.475027 -5.618992 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=86) 0 -25.896220 -2.544304 -5.326207 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=86) 0 -25.334718 -3.397868 -4.953051 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=86) 0 -26.546804 -2.196558 -4.521234 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=86) 0 -26.747368 -2.993941 -6.516714 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=86) 0 -27.442385 -2.158014 -7.142712 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=86) 0 -26.687498 -4.185712 -6.895864 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=86) 0 -23.266161 -0.373738 -7.279090 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=86) 0 -23.675546 0.668426 -7.793388 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=87) 0 -21.979370 -0.531325 -6.948393 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=87) 0 -21.684016 -1.410875 -6.537677 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=87) 0 -20.946373 0.451526 -7.316358 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=87) 0 -21.402961 1.434096 -7.440644 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=87) 0 -19.860114 0.572651 -6.231515 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=87) 0 -19.457406 -0.410116 -5.993279 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=87) 0 -19.039064 1.175675 -6.623361 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=87) 0 -20.370105 1.228172 -4.943277 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=87) 0 -21.156429 0.608140 -4.507322 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=87) 0 -19.548471 1.276370 -4.227584 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=87) 0 -20.894739 2.642791 -5.204111 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=87) 0 -22.085541 2.907544 -4.924803 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=87) 0 -20.127840 3.498388 -5.704844 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=87) 0 -20.329401 0.112772 -8.672526 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=87) 0 -20.270010 0.983998 -9.542502 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=88) 0 -19.931973 -1.153666 -8.862894 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=88) 0 -20.044726 -1.777697 -8.067342 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=88) 0 -19.352067 -1.742895 -10.084325 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=88) 0 -19.096816 -2.775079 -9.846258 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=88) 0 -20.419109 -1.803781 -11.184463 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=88) 0 -21.301665 -2.325949 -10.810406 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=88) 0 -20.707133 -0.792402 -11.474471 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=88) 0 -19.919585 -2.485135 -12.315649 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=88) 0 -20.534126 -2.286260 -13.058017 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=88) 0 -18.050945 -1.088538 -10.581699 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=88) 0 -16.995401 -1.721231 -10.581701 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=89) 0 -18.085697 0.194729 -10.939451 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=89) 0 -18.974515 0.668066 -10.824970 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=89) 0 -16.990595 0.932007 -11.578350 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=89) 0 -16.681146 0.386001 -12.469254 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=89) 0 -17.477648 2.324720 -11.987300 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=89) 0 -17.805175 2.865209 -11.099051 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=89) 0 -16.645950 2.872366 -12.429288 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=89) 0 -18.601443 2.280171 -13.009115 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=89) 0 -18.474760 1.546110 -14.010189 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=89) 0 -19.594588 3.025794 -12.837453 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=89) 0 -15.755920 1.103444 -10.693446 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=89) 0 -14.656841 1.303362 -11.210516 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=90) 0 -15.914606 1.011382 -9.370501 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=90) 0 -16.849997 0.879371 -9.017034 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=90) 0 -14.787419 0.966676 -8.442289 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=90) 0 -14.064095 1.716243 -8.754781 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=90) 0 -15.280660 1.334703 -7.031349 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=90) 0 -15.697657 2.341564 -7.056502 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=90) 0 -16.072558 0.645448 -6.738303 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=90) 0 -14.161139 1.286820 -5.976069 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=90) 0 -13.779414 0.270679 -5.898891 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=90) 0 -13.003731 2.212084 -6.327870 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=90) 0 -13.346942 3.243506 -6.413008 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=90) 0 -12.251927 2.127233 -5.551372 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=90) 0 -12.537056 1.912109 -7.263455 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=90) 0 -14.679638 1.697483 -4.601485 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=90) 0 -13.925907 1.468648 -3.850830 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=90) 0 -14.879073 2.763470 -4.582138 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=90) 0 -15.594743 1.159135 -4.365227 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=90) 0 -14.064205 -0.388834 -8.492110 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=90) 0 -12.839287 -0.440082 -8.435346 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=91) 0 -14.803881 -1.485837 -8.657751 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=91) 0 -15.794412 -1.384769 -8.828083 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=91) 0 -14.223384 -2.816940 -8.790337 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=91) 0 -13.447525 -2.934277 -8.037111 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=91) 0 -15.331850 -3.845745 -8.524472 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=91) 0 -14.886657 -4.817347 -8.331436 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=91) 0 -15.907574 -3.563024 -7.643359 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=91) 0 -16.002409 -3.917437 -9.381892 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=91) 0 -13.528387 -2.977024 -10.151944 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=91) 0 -12.361943 -3.365175 -10.217240 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=92) 0 -14.187141 -2.538652 -11.228790 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=92) 0 -15.145922 -2.227479 -11.105658 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=92) 0 -13.626166 -2.541921 -12.585045 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=92) 0 -13.177729 -3.520859 -12.753045 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=92) 0 -14.759695 -2.358063 -13.613499 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=92) 0 -15.236573 -1.392783 -13.442771 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=92) 0 -14.328802 -2.348645 -14.615676 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=92) 0 -15.839710 -3.458185 -13.564000 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=92) 0 -16.365672 -3.421544 -12.610522 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=92) 0 -16.570479 -3.266010 -14.349514 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=92) 0 -15.263293 -4.858718 -13.751592 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=92) 0 -14.900600 -5.542437 -12.802491 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=92) 0 -15.094442 -5.335030 -14.963801 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=92) 0 -14.643947 -6.242555 -15.061840 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=92) 0 -15.400904 -4.811989 -15.764124 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=92) 0 -12.471010 -1.536610 -12.793134 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=92) 0 -11.858001 -1.527015 -13.862588 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=93) 0 -12.117789 -0.729213 -11.782378 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=93) 0 -12.666754 -0.755497 -10.934919 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=93) 0 -10.904478 0.102249 -11.776375 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=93) 0 -10.674676 0.361199 -12.806527 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=93) 0 -11.163769 1.412248 -11.001439 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=93) 0 -12.227373 1.496630 -10.799519 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=93) 0 -10.668939 1.381569 -10.029407 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=93) 0 -10.746538 2.685773 -11.763759 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=93) 0 -10.822579 2.534120 -12.839226 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=93) 0 -11.444313 3.481802 -11.511318 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=93) 0 -9.352267 3.185398 -11.404912 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=93) 0 -9.186508 3.977288 -10.486172 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=93) 0 -8.321649 2.791002 -12.114538 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=93) 0 -7.388731 3.051322 -11.814913 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=93) 0 -8.458445 2.156314 -12.897220 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=93) 0 -9.665067 -0.636274 -11.243949 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=93) 0 -8.552229 -0.225951 -11.561925 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=94) 0 -9.827983 -1.730895 -10.487657 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=94) 0 -10.771267 -2.036527 -10.276781 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=94) 0 -8.725541 -2.410525 -9.783560 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=94) 0 -7.784120 -2.041336 -10.188644 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=94) 0 -8.746257 -2.025068 -8.294181 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=94) 0 -9.668470 -2.400122 -7.848249 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=94) 0 -7.909947 -2.508405 -7.788019 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=94) 0 -8.628722 -0.530029 -8.052421 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=94) 0 -7.507652 0.174591 -8.536646 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=94) 0 -6.718830 -0.352597 -9.054376 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=94) 0 -7.429769 1.572509 -8.397254 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=94) 0 -6.587656 2.106059 -8.804938 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=94) 0 -8.462534 2.268485 -7.738057 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=94) 0 -8.427182 3.619990 -7.615352 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=94) 0 -7.736982 4.014838 -8.163265 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=94) 0 -9.559075 1.558947 -7.217697 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=94) 0 -10.328636 2.107466 -6.707283 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=94) 0 -9.653327 0.165552 -7.384216 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=94) 0 -10.522658 -0.361369 -7.018985 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=94) 0 -8.653968 -3.929544 -10.016585 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=94) 0 -8.023800 -4.643833 -9.241519 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=95) 0 -9.257432 -4.431096 -11.097640 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=95) 0 -9.817119 -3.808542 -11.658238 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=95) 0 -9.047520 -5.798061 -11.584092 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=95) 0 -9.451642 -5.890378 -12.592616 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=95) 0 -7.977812 -5.989567 -11.629874 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=95) 0 -9.677337 -6.872248 -10.697152 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=95) 0 -9.044728 -7.400904 -9.778446 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=96) 0 -10.932936 -7.209229 -10.990194 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=96) 0 -11.376420 -6.727119 -11.767609 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=96) 0 -11.698808 -8.247381 -10.291578 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=96) 0 -11.430512 -8.218903 -9.236342 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=96) 0 -13.214914 -7.986904 -10.382918 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=96) 0 -13.523498 -8.023753 -11.425069 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=96) 0 -14.026545 -9.011684 -9.580110 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=96) 0 -15.090995 -8.794141 -9.671374 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=96) 0 -13.857972 -10.015575 -9.963346 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=96) 0 -13.743830 -8.977542 -8.527694 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=96) 0 -13.582027 -6.607441 -9.840409 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=96) 0 -14.660995 -6.470074 -9.909009 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=96) 0 -13.254236 -6.510328 -8.805130 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=96) 0 -13.107314 -5.836502 -10.443656 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=96) 0 -11.318445 -9.620636 -10.845527 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=96) 0 -11.857175 -10.082943 -11.859442 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=97) 0 -10.407403 -10.307419 -10.155573 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=97) 0 -10.045641 -9.859703 -9.319745 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=97) 0 -10.001743 -11.697997 -10.409746 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=97) 0 -10.003370 -11.861326 -11.486510 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=97) 0 -8.554934 -11.916215 -9.953330 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=97) 0 -8.277790 -12.926721 -10.244369 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=97) 0 -7.911087 -11.234602 -10.508671 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=97) 0 -8.283937 -11.713546 -8.448481 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=97) 0 -8.078185 -10.658403 -8.263979 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=97) 0 -9.151527 -11.995956 -7.853948 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=97) 0 -7.092100 -12.560556 -7.981304 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=97) 0 -6.852550 -12.296065 -6.952723 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=97) 0 -7.372337 -13.612474 -7.982137 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=97) 0 -5.903109 -12.334328 -8.818627 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=97) 0 -5.468247 -11.420804 -8.728333 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=97) 0 -5.399212 -13.128844 -9.742901 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=97) 0 -5.912457 -14.292745 -10.033159 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=97) 0 -6.755420 -14.609907 -9.572238 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=97) 0 -5.523880 -14.860848 -10.774177 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=97) 0 -4.363225 -12.732613 -10.416688 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=97) 0 -4.037774 -11.776694 -10.317206 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=97) 0 -3.999363 -13.313444 -11.163512 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=97) 0 -10.999727 -12.716118 -9.845202 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=97) 0 -10.638289 -13.635704 -9.107846 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=98) 0 -12.274435 -12.533133 -10.176042 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=98) 0 -12.488546 -11.759149 -10.789164 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=98) 0 -13.379919 -13.242163 -9.541242 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=98) 0 -14.236898 -13.263886 -10.210806 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=98) 0 -13.082021 -14.269413 -9.341306 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=98) 0 -13.813216 -12.626830 -8.211674 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=98) 0 -13.260223 -11.630847 -7.743672 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=99) 0 -14.813800 -13.245045 -7.595454 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=99) 0 -15.175649 -14.090009 -8.020363 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=99) 0 -15.440384 -12.796763 -6.360571 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=99) 0 -15.018611 -11.826169 -6.117806 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=99) 0 -16.939518 -12.547071 -6.573121 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=99) 0 -17.480000 -13.482100 -6.455472 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=99) 0 -17.289564 -11.888251 -5.780134 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=99) 0 -17.329069 -11.930344 -7.906840 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=99) 0 -17.427102 -10.532877 -8.044051 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=99) 0 -17.170762 -9.887646 -7.214642 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=99) 0 -17.900100 -9.978717 -9.249635 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=99) 0 -17.990936 -8.911079 -9.352258 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=99) 0 -18.293243 -10.820689 -10.312430 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=99) 0 -18.781143 -10.307046 -11.468639 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=99) 0 -18.756308 -9.330951 -11.457271 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=99) 0 -18.146092 -12.213681 -10.191626 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=99) 0 -18.446665 -12.853243 -11.009858 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=99) 0 -17.646047 -12.762215 -8.999008 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=99) 0 -17.568950 -13.833227 -8.904154 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=99) 0 -15.159580 -13.807342 -5.224443 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=99) 0 -15.238639 -15.025628 -5.446610 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=100) 0 -14.753627 -13.349737 -4.029290 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=100) 0 -14.649720 -14.167345 -2.834559 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=100) 0 -14.107093 -15.091335 -3.030798 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=100) 0 -15.653051 -14.390922 -2.483909 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=100) 0 -13.914715 -13.318657 -1.797715 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=100) 0 -12.845436 -13.510275 -1.861073 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=100) 0 -14.282443 -13.507869 -0.789349 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=100) 0 -14.190170 -11.885654 -2.245666 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=100) 0 -13.410187 -11.195205 -1.921832 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=100) 0 -15.159987 -11.566281 -1.871966 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=100) 0 -14.261158 -12.004051 -3.765434 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=100) 0 -14.969115 -11.259917 -4.126975 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=100) 0 -12.886137 -11.790402 -4.416419 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=100) 0 -12.058324 -12.706517 -4.475163 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=101) 0 -12.618486 -10.567446 -4.859152 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=101) 0 -13.358461 -9.874038 -4.777879 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=101) 0 -11.250901 -10.065462 -5.048661 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=101) 0 -10.563944 -10.897303 -5.196016 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=101) 0 -11.148546 -9.184430 -6.299783 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=101) 0 -12.003806 -8.519572 -6.358180 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=101) 0 -9.866158 -8.360972 -6.415639 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=101) 0 -8.997621 -9.017934 -6.399192 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=101) 0 -9.879593 -7.806605 -7.352283 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=101) 0 -9.796772 -7.641517 -5.601671 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=101) 0 -11.158114 -10.026883 -7.420133 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=101) 0 -11.974691 -10.565613 -7.398447 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=101) 0 -10.832223 -9.346522 -3.771820 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=101) 0 -11.655231 -8.706730 -3.118904 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=102) 0 -9.562625 -9.473427 -3.396960 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=102) 0 -8.936661 -10.003509 -3.993503 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=102) 0 -8.971561 -8.814211 -2.235478 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=102) 0 -9.637355 -8.016748 -1.929257 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=102) 0 -8.802052 -9.763603 -1.026178 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=102) 0 -7.951833 -10.412221 -1.221332 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=102) 0 -8.496659 -8.904061 0.212635 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=102) 0 -8.306202 -9.537687 1.079655 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=102) 0 -7.615963 -8.283248 0.057134 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=102) 0 -9.349500 -8.260041 0.423210 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=102) 0 -10.018405 -10.654257 -0.675932 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=102) 0 -9.974236 -10.917851 0.381904 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=102) 0 -10.942207 -10.098719 -0.839132 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=102) 0 -10.066180 -11.981580 -1.443801 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=102) 0 -10.300153 -11.813640 -2.490904 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=102) 0 -9.107506 -12.494687 -1.362242 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=102) 0 -10.837871 -12.618261 -1.014951 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=102) 0 -7.628250 -8.205848 -2.650241 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=102) 0 -6.773909 -8.917102 -3.185005 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=103) 0 -7.429142 -6.910188 -2.388975 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=103) 0 -8.190441 -6.401388 -1.946250 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=103) 0 -6.184938 -6.174958 -2.688218 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=103) 0 -5.380283 -6.889578 -2.863305 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=103) 0 -6.357719 -5.325049 -3.959076 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=103) 0 -7.275934 -4.745306 -3.891089 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=103) 0 -5.521330 -4.626648 -4.035434 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=103) 0 -6.366956 -6.186347 -5.228034 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=103) 0 -5.411907 -6.701957 -5.285341 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=103) 0 -7.169007 -6.923225 -5.184590 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=103) 0 -6.537662 -5.335282 -6.489241 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=103) 0 -7.592899 -5.109642 -6.650529 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=103) 0 -5.999230 -4.395861 -6.362240 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=103) 0 -5.941214 -6.044138 -7.709164 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=103) 0 -5.895477 -5.329213 -8.536137 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=103) 0 -4.917837 -6.338128 -7.466683 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=103) 0 -6.708083 -7.235170 -8.143869 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=103) 0 -7.626210 -6.988042 -8.506179 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=103) 0 -6.207659 -7.700385 -8.892837 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=103) 0 -6.775623 -7.935317 -7.404071 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=103) 0 -5.726565 -5.302452 -1.521845 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=103) 0 -6.529223 -4.928552 -0.674840 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=104) 0 -4.448046 -4.954815 -1.494639 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=104) 0 -3.866511 -5.283145 -2.258192 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=104) 0 -3.826603 -4.019446 -0.559817 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=104) 0 -4.523469 -3.791476 0.243924 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=104) 0 -2.586102 -4.688178 0.039564 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=104) 0 -2.893504 -5.630089 0.485461 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=104) 0 -1.903044 -4.932905 -0.771277 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=104) 0 -1.840101 -3.876599 1.084235 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=104) 0 -2.487270 -3.471316 2.267810 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=104) 0 -3.523400 -3.726756 2.433716 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=104) 0 -1.793320 -2.722098 3.234740 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=104) 0 -2.302209 -2.402655 4.131613 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=104) 0 -0.442822 -2.389894 3.030816 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=104) 0 0.096911 -1.813910 3.768465 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=104) 0 0.208510 -2.804827 1.857560 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=104) 0 1.251627 -2.570288 1.701708 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=104) 0 -0.487826 -3.539625 0.883015 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=104) 0 0.027948 -3.849770 -0.016784 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=104) 0 -3.478176 -2.702441 -1.253664 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=104) 0 -3.210823 -2.694637 -2.450701 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=105) 0 -3.488195 -1.610300 -0.489651 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=105) 0 -3.772644 -1.717290 0.478656 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=105) 0 -3.141212 -0.253148 -0.906647 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=105) 0 -2.434343 -0.295925 -1.738232 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=105) 0 -4.407103 0.486509 -1.362000 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=105) 0 -5.147040 0.425484 -0.562507 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=105) 0 -4.154771 1.538792 -1.490659 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=105) 0 -5.046815 0.005178 -2.652823 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=105) 0 -4.766739 0.663991 -3.865214 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=105) 0 -4.056570 1.478465 -3.884629 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=105) 0 -5.415968 0.270453 -5.049012 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=105) 0 -5.206358 0.780807 -5.978957 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=105) 0 -6.330458 -0.797434 -5.028461 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=105) 0 -6.825264 -1.098781 -5.940213 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=105) 0 -6.595149 -1.474448 -3.825476 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=105) 0 -7.294918 -2.296440 -3.810169 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=105) 0 -5.961156 -1.066068 -2.638317 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=105) 0 -6.168800 -1.580258 -1.712204 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=105) 0 -2.489665 0.513494 0.261003 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=105) 0 -2.714387 0.200286 1.436746 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=106) 0 -1.705264 1.550760 -0.059376 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=106) 0 -1.628127 1.805807 -1.036262 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=106) 0 -0.976040 2.394875 0.906460 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=106) 0 -1.420695 2.282964 1.893249 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=106) 0 0.510395 1.995829 0.959873 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=106) 0 0.975367 2.306034 0.021466 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=106) 0 0.970539 2.552374 1.775776 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=106) 0 0.836003 0.514895 1.178886 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=106) 0 0.514729 0.209362 2.174034 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=106) 0 0.315263 -0.091185 0.437768 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=106) 0 2.342439 0.265866 1.007729 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=106) 0 2.495939 -0.808899 0.998422 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=106) 0 2.661437 0.654798 0.038413 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=106) 0 3.162284 0.878584 2.071673 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=106) 0 3.426719 1.851756 1.978157 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=106) 0 3.581692 0.305675 3.181554 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=106) 0 3.491576 -0.968508 3.400592 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=106) 0 3.473923 -1.589256 2.590843 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=106) 0 3.897158 -1.343762 4.250065 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=106) 0 4.112926 1.048643 4.098647 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=106) 0 4.349941 2.007029 3.846246 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=106) 0 4.358818 0.686307 5.014656 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=106) 0 -1.038516 3.873846 0.517520 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=106) 0 -1.254119 4.172067 -0.649052 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=107) 0 -0.713927 4.784353 1.438274 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=107) 0 -0.629130 4.437572 2.387524 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=107) 0 -0.224215 6.151955 1.162961 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=107) 0 -0.216798 6.677237 2.118698 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=107) 0 1.235478 6.065072 0.677006 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=107) 0 1.239998 5.680228 -0.343095 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=107) 0 1.683819 7.058694 0.664515 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=107) 0 2.104659 5.181532 1.538454 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=107) 0 2.142923 5.290584 2.756500 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=107) 0 2.811199 4.256795 0.951077 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=107) 0 3.515360 3.818288 1.536346 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=107) 0 2.909473 4.226668 -0.056865 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=107) 0 -1.069772 7.038518 0.214354 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=107) 0 -0.520703 7.914909 -0.463607 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=108) 0 -2.380541 6.805184 0.091737 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=108) 0 -2.779328 6.035945 0.619722 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=108) 0 -3.206822 7.480686 -0.925196 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=108) 0 -4.255587 7.376583 -0.682856 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=108) 0 -2.992030 8.547782 -0.901501 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=108) 0 -2.978818 6.990502 -2.367291 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=108) 0 -3.523451 7.571454 -3.302553 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=109) 0 -2.151006 5.963989 -2.560115 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=109) 0 -1.816651 5.466665 -1.742469 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=109) 0 -1.525654 5.578792 -3.822766 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=109) 0 -1.521566 6.447435 -4.482439 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=109) 0 -0.061226 5.194730 -3.545648 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=109) 0 0.396175 5.962176 -2.922208 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=109) 0 -0.013710 4.251123 -3.000260 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=109) 0 0.736077 5.081916 -4.840392 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=109) 0 0.957714 6.140180 -5.479994 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=109) 0 1.100619 3.955181 -5.243741 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=109) 0 -2.290025 4.455505 -4.533838 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=109) 0 -2.105349 3.265448 -4.270127 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=110) 0 -3.141646 4.827608 -5.488734 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=110) 0 -3.284435 5.815996 -5.660957 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=110) 0 -3.894323 3.852412 -6.296328 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=110) 0 -4.292660 3.101118 -5.616058 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=110) 0 -5.099798 4.489571 -6.993184 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=110) 0 -5.642359 3.706111 -7.518621 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=110) 0 -6.052049 5.161792 -6.004739 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=110) 0 -5.554931 5.978843 -5.481110 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=110) 0 -6.912623 5.560698 -6.535852 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=110) 0 -6.404642 4.426669 -5.284714 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=110) 0 -4.702761 5.465653 -7.925980 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=110) 0 -5.422165 5.502538 -8.583179 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=110) 0 -3.023822 3.085439 -7.301899 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=110) 0 -3.475197 2.072935 -7.837207 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=111) 0 -1.767088 3.503699 -7.503744 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=111) 0 -1.488497 4.375998 -7.075933 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=111) 0 -0.725102 2.768761 -8.229077 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=111) 0 -1.180928 2.312546 -9.107908 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=111) 0 0.322934 3.771969 -8.723698 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=111) 0 0.801990 4.266065 -7.879277 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=111) 0 1.090914 3.247714 -9.291709 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=111) 0 -0.145764 4.510938 -9.373248 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=111) 0 -0.083071 1.614611 -7.422254 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=111) 0 0.790934 0.914972 -7.936754 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=112) 0 -0.543549 1.353512 -6.191569 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=112) 0 -1.200446 2.008576 -5.785414 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=112) 0 -0.101939 0.231482 -5.344949 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=112) 0 0.767723 -0.237536 -5.803537 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=112) 0 0.366898 0.796310 -3.992339 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=112) 0 -0.438402 1.366094 -3.526786 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=112) 0 0.638808 -0.026221 -3.329201 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=112) 0 1.510936 1.616852 -4.149155 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=112) 0 1.244422 2.466607 -4.580474 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=112) 0 -1.138128 -0.910741 -5.157063 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=112) 0 -1.274488 -1.369483 -4.025746 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=113) 0 -1.885412 -1.395189 -6.180876 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=113) 0 -1.764841 -1.060794 -7.596877 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=113) 0 -0.757054 -1.247711 -7.966455 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=113) 0 -2.045347 -0.022829 -7.753128 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=113) 0 -2.776793 -1.925083 -8.344741 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=113) 0 -2.334026 -2.887627 -8.604056 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=113) 0 -3.155349 -1.424260 -9.233951 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=113) 0 -3.859917 -2.105504 -7.288134 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=113) 0 -4.529768 -2.931984 -7.522778 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=113) 0 -4.429422 -1.181050 -7.200100 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=113) 0 -3.013516 -2.331108 -6.024525 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=113) 0 -3.598883 -2.055507 -5.145871 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=113) 0 -2.579081 -3.807432 -5.858821 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=113) 0 -2.995377 -4.681372 -6.629476 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=114) 0 -1.722002 -4.111183 -4.878932 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=114) 0 -1.474838 -3.356978 -4.242061 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=114) 0 -1.155073 -5.455795 -4.651554 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=114) 0 -0.612400 -5.756050 -5.546638 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=114) 0 -0.165476 -5.377019 -3.476118 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=114) 0 0.633543 -4.680249 -3.733363 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=114) 0 -0.690406 -4.951003 -2.622830 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=114) 0 0.456597 -6.714505 -3.022064 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=114) 0 0.925188 -6.535043 -2.054310 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=114) 0 -0.319186 -7.454607 -2.840826 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=114) 0 1.539318 -7.274906 -3.967563 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=114) 0 1.927486 -6.468342 -4.591913 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=114) 0 2.371018 -7.634363 -3.359476 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=114) 0 1.095915 -8.425469 -4.875422 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=114) 0 0.234186 -8.111558 -5.464014 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=114) 0 1.914805 -8.648660 -5.564861 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=114) 0 0.766278 -9.643716 -4.104450 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=114) 0 -0.097695 -9.538164 -3.580883 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=114) 0 0.631278 -10.455067 -4.706172 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=114) 0 1.490117 -9.888021 -3.431839 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=114) 0 -2.253228 -6.488005 -4.380763 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=114) 0 -3.061136 -6.311835 -3.475446 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=115) 0 -2.259130 -7.602726 -5.106619 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=115) 0 -1.633059 -7.667000 -5.901125 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=115) 0 -3.168343 -8.724436 -4.834697 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=115) 0 -4.190385 -8.352366 -4.856991 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=115) 0 -3.015401 -9.784450 -5.938051 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=115) 0 -2.769832 -9.301551 -6.885130 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=115) 0 -2.190590 -10.450632 -5.683469 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=115) 0 -4.291883 -10.608660 -6.136366 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=115) 0 -4.037978 -11.511388 -6.695354 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=115) 0 -4.691347 -10.917234 -5.167964 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=115) 0 -5.341704 -9.820306 -6.926814 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=115) 0 -5.191391 -9.683208 -8.161606 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=115) 0 -6.350009 -9.365665 -6.342127 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=115) 0 -2.923671 -9.334078 -3.439502 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=115) 0 -1.780198 -9.597706 -3.066307 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=116) 0 -3.982482 -9.579800 -2.667021 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=116) 0 -4.908354 -9.357905 -3.019319 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=116) 0 -3.906883 -10.294617 -1.388493 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=116) 0 -2.903786 -10.198139 -0.969883 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=116) 0 -4.887785 -9.670612 -0.388455 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=116) 0 -4.491589 -8.700557 -0.094120 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=116) 0 -5.828297 -9.490745 -0.897281 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=116) 0 -5.198940 -10.500494 0.850328 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=116) 0 -4.530544 -10.247765 2.061180 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=116) 0 -3.784531 -9.469075 2.105921 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=116) 0 -4.843620 -10.993938 3.214794 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=116) 0 -4.339985 -10.791350 4.143946 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=116) 0 -5.833982 -11.996162 3.160853 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=116) 0 -6.150453 -12.718693 4.263545 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=116) 0 -5.535589 -12.557651 4.990447 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=116) 0 -6.498466 -12.257323 1.949435 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=116) 0 -7.242294 -13.037903 1.916956 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=116) 0 -6.174149 -11.519302 0.797528 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=116) 0 -6.668915 -11.752596 -0.132891 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=116) 0 -4.197985 -11.781995 -1.581780 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=116) 0 -5.113266 -12.158122 -2.319752 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=117) 0 -3.482158 -12.641883 -0.855951 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=117) 0 -2.730760 -12.280525 -0.283093 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=117) 0 -3.900988 -14.026634 -0.596078 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=117) 0 -4.985570 -14.042644 -0.513519 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=117) 0 -3.500815 -14.970412 -1.744751 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=117) 0 -2.415842 -14.973861 -1.844984 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=117) 0 -3.996523 -16.403386 -1.549104 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=117) 0 -5.085754 -16.426005 -1.507705 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=117) 0 -3.644522 -17.032790 -2.363581 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=117) 0 -3.593216 -16.818133 -0.631703 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=117) 0 -4.083749 -14.532281 -2.960652 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=117) 0 -4.567669 -13.706153 -2.753074 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=117) 0 -3.322724 -14.518686 0.734663 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=117) 0 -2.174146 -14.231162 1.069598 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=118) 0 -4.117349 -15.275916 1.487167 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=118) 0 -5.063230 -15.418463 1.143397 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=118) 0 -3.730570 -16.049957 2.666655 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=118) 0 -2.742248 -16.485736 2.513976 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=118) 0 -3.665583 -15.102530 3.875657 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=118) 0 -4.649192 -14.682995 4.063632 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=118) 0 -3.335759 -15.650108 4.757600 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=118) 0 -2.963887 -14.290356 3.682236 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=118) 0 -4.743283 -17.207772 2.831922 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=118) 0 -4.986829 -17.956058 1.878571 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=119) 0 -5.373646 -17.327936 4.003384 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=119) 0 -5.041654 -16.739672 4.751718 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=119) 0 -6.759088 -17.792357 4.121412 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=119) 0 -6.963737 -18.570748 3.387970 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=119) 0 -6.912435 -18.220470 5.108586 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=119) 0 -7.741839 -16.632931 3.890682 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=119) 0 -7.544066 -15.837867 2.968991 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=120) 0 -8.797326 -16.513941 4.704958 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=120) 0 -8.898623 -17.208253 5.440948 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=120) 0 -9.750792 -15.378895 4.694163 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=120) 0 -9.232518 -14.486916 4.337099 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=120) 0 -10.927653 -15.684227 3.748870 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=120) 0 -11.353046 -16.653915 3.998123 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=120) 0 -11.710043 -14.940634 3.899232 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=120) 0 -10.530765 -15.645656 2.269140 L H-H1 57 0.0000 H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=120) 0 -10.057245 -14.686821 2.051608 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=120) 0 -9.834587 -16.452083 2.043769 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=120) 0 -10.294105 -14.975263 6.072065 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=120) 0 -11.108322 -14.059492 6.142948 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=121) 0 -9.879505 -15.634425 7.149640 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=121) 0 -9.162652 -16.343592 7.043587 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=121) 0 -10.272558 -15.280189 8.514108 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=121) 0 -11.346000 -15.105876 8.513708 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=121) 0 -9.970472 -16.457415 9.461540 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=121) 0 -10.001326 -17.395558 8.905254 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=121) 0 -8.976719 -16.339957 9.897126 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=121) 0 -11.031589 -16.522196 10.564205 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=121) 0 -11.052700 -15.567576 11.083032 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=121) 0 -12.002235 -16.690470 10.098646 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=121) 0 -10.806587 -17.612971 11.604483 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=121) 0 -10.207562 -18.668394 11.290083 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=121) 0 -11.261120 -17.420578 12.756711 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=121) 0 -9.597281 -13.976082 8.972156 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=121) 0 -8.588858 -13.557695 8.401942 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=122) 0 -10.108797 -13.325977 10.016590 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=122) 0 -10.988381 -13.650536 10.415770 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=122) 0 -9.568188 -12.055204 10.492345 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=122) 0 -9.689624 -11.330203 9.690411 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=122) 0 -10.402186 -11.591077 11.678694 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=122) 0 -10.343639 -12.318719 12.488616 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=122) 0 -10.039977 -10.625844 12.031193 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=122) 0 -11.428117 -11.495025 11.336408 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=122) 0 -8.070236 -12.094700 10.836899 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=122) 0 -7.365896 -11.137501 10.533688 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=123) 0 -7.546327 -13.190282 11.389557 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=123) 0 -8.184321 -13.911796 11.708033 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=123) 0 -6.099905 -13.358408 11.585079 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=123) 0 -5.700464 -12.388442 11.881110 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=123) 0 -5.790167 -14.295374 12.759537 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=123) 0 -4.745463 -14.152658 13.041784 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=123) 0 -6.400645 -14.011007 13.618526 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=123) 0 -6.010644 -15.771810 12.445611 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=123) 0 -7.172944 -16.237297 12.523916 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=123) 0 -5.018017 -16.498844 12.207050 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=123) 0 -5.345522 -13.744566 10.299556 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=123) 0 -4.174067 -13.406755 10.182245 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=124) 0 -5.995073 -14.335031 9.288949 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=124) 0 -6.990406 -14.493498 9.384677 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=124) 0 -5.391091 -14.506694 7.953838 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=124) 0 -4.404725 -14.956588 8.068757 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=124) 0 -6.242964 -15.413455 7.049267 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=124) 0 -7.169106 -14.902614 6.791685 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=124) 0 -5.696534 -15.561012 6.119078 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=124) 0 -6.574445 -16.789614 7.617829 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=124) 0 -5.753989 -17.359313 8.366721 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=124) 0 -7.629970 -17.343681 7.236117 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=124) 0 -5.230922 -13.154400 7.239701 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=124) 0 -4.280860 -12.934875 6.482679 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=125) 0 -6.174585 -12.241874 7.474366 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=125) 0 -6.972195 -12.551955 8.025351 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=125) 0 -6.164885 -10.849120 7.018954 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=125) 0 -5.889993 -10.801464 5.967680 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=125) 0 -7.597616 -10.278037 7.167435 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=125) 0 -7.970898 -10.535629 8.156705 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=125) 0 -7.616646 -8.746060 7.056622 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=125) 0 -7.110778 -8.298934 7.911949 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=125) 0 -7.117833 -8.435555 6.143590 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=125) 0 -8.640538 -8.378858 7.044863 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=125) 0 -8.543491 -10.917283 6.122054 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=125) 0 -8.345855 -10.487076 5.139049 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=125) 0 -8.352288 -11.988696 6.058108 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=125) 0 -10.032011 -10.754016 6.458725 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=125) 0 -10.318225 -9.703886 6.460073 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=125) 0 -10.625412 -11.279903 5.711865 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=125) 0 -10.243620 -11.188786 7.435264 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=125) 0 -5.100758 -10.059602 7.791903 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=125) 0 -4.230167 -9.423640 7.193952 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=126) 0 -5.129149 -10.133078 9.123952 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=126) 0 -5.875480 -10.671873 9.555293 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=126) 0 -4.275900 -9.320032 9.994621 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=126) 0 -4.235803 -8.319252 9.565463 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=126) 0 -4.904745 -9.161072 11.394097 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=126) 0 -5.177737 -10.137168 11.792733 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=126) 0 -3.961076 -8.477309 12.385036 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=126) 0 -3.601328 -7.542074 11.958833 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=126) 0 -4.482476 -8.269515 13.320744 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=126) 0 -3.120847 -9.134197 12.606051 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=126) 0 -6.153884 -8.270671 11.290956 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=126) 0 -6.624803 -8.170831 12.266787 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=126) 0 -5.873949 -7.284953 10.927785 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=126) 0 -6.879689 -8.697459 10.602192 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=126) 0 -2.825622 -9.806324 10.005446 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=126) 0 -1.949596 -8.964857 9.841247 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=127) 0 -2.523830 -11.110317 10.069053 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=127) 0 -3.268977 -11.794054 10.169090 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=127) 0 -1.136006 -11.604998 9.980388 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=127) 0 -0.559872 -11.220043 10.824061 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=127) 0 -1.099497 -13.143487 9.999683 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=127) 0 -1.808346 -13.530631 9.272848 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=127) 0 -0.106567 -13.475387 9.698824 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=127) 0 -1.382289 -13.788157 11.337936 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=127) 0 -1.473116 -13.146662 12.375456 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=127) 0 -1.449425 -15.094152 11.365488 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=127) 0 -1.747592 -15.552822 12.218099 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=127) 0 -1.404095 -15.615917 10.502036 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=127) 0 -0.439819 -11.136989 8.694798 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=127) 0 0.737854 -10.788071 8.720039 L N-N--0.415700(PDBName=N,ResName=TRP,ResNum=128) 0 -1.168827 -11.101365 7.576984 L H-H-0.271900(PDBName=H,ResName=TRP,ResNum=128) 0 -2.129448 -11.412795 7.625075 L C-CT--0.027500(PDBName=CA,ResName=TRP,ResNum=128) 0 -0.650262 -10.647080 6.288312 L H-H1-0.112300(PDBName=HA,ResName=TRP,ResNum=128) 0 0.281890 -11.172880 6.077575 L C-CT--0.005000(PDBName=CB,ResName=TRP,ResNum=128) 0 -1.672772 -11.025546 5.216127 L H-HC-0.033900(PDBName=HB2,ResName=TRP,ResNum=128) 0 -1.973102 -12.062537 5.366426 L H-HC-0.033900(PDBName=HB3,ResName=TRP,ResNum=128) 0 -2.556099 -10.403758 5.350173 L C-C*--0.141500(PDBName=CG,ResName=TRP,ResNum=128) 0 -1.209113 -10.896288 3.803011 L C-CW--0.163800(PDBName=CD1,ResName=TRP,ResNum=128) 0 -0.705725 -11.899353 3.052280 L H-H4-0.206200(PDBName=HD1,ResName=TRP,ResNum=128) 0 -0.563965 -12.919508 3.389145 L N-NA--0.341800(PDBName=NE1,ResName=TRP,ResNum=128) 0 -0.389869 -11.427698 1.794547 L H-H-0.341200(PDBName=HE1,ResName=TRP,ResNum=128) 0 0.076414 -12.003976 1.097172 L C-CN-0.138000(PDBName=CE2,ResName=TRP,ResNum=128) 0 -0.698474 -10.092364 1.660924 L C-CA--0.260100(PDBName=CZ2,ResName=TRP,ResNum=128) 0 -0.587161 -9.181541 0.601366 L H-HA-0.157200(PDBName=HZ2,ResName=TRP,ResNum=128) 0 -0.190685 -9.499535 -0.353258 L C-CA--0.113400(PDBName=CH2,ResName=TRP,ResNum=128) 0 -0.985455 -7.849925 0.805100 L H-HA-0.141700(PDBName=HH2,ResName=TRP,ResNum=128) 0 -0.895774 -7.133166 -0.000010 L C-CA--0.197200(PDBName=CZ3,ResName=TRP,ResNum=128) 0 -1.481250 -7.450600 2.061167 L H-HA-0.144700(PDBName=HZ3,ResName=TRP,ResNum=128) 0 -1.773192 -6.424810 2.226233 L C-CA--0.238700(PDBName=CE3,ResName=TRP,ResNum=128) 0 -1.587798 -8.371522 3.117486 L H-HA-0.170000(PDBName=HE3,ResName=TRP,ResNum=128) 0 -1.978273 -8.052863 4.071350 L C-CB-0.124300(PDBName=CD2,ResName=TRP,ResNum=128) 0 -1.204748 -9.717787 2.942638 L C-C-0.597300(PDBName=C,ResName=TRP,ResNum=128) 0 -0.351053 -9.138841 6.291789 L O-O--0.567900(PDBName=O,ResName=TRP,ResNum=128) 0 0.684143 -8.711865 5.779881 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=129) 0 -1.209179 -8.329743 6.924186 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=129) 0 -2.046083 -8.747277 7.317959 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=129) 0 -1.000215 -6.887788 7.113722 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=129) 0 -0.715859 -6.447645 6.157570 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=129) 0 -2.327587 -6.258102 7.582517 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=129) 0 -2.714227 -6.841976 8.417805 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=129) 0 -2.137860 -5.249479 7.951524 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=129) 0 -3.395915 -6.188273 6.471700 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=129) 0 -3.405931 -7.118491 5.905211 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=129) 0 -4.790242 -5.985322 7.065922 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=129) 0 -4.839516 -5.055761 7.626454 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=129) 0 -5.531790 -5.963969 6.268595 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=129) 0 -5.026317 -6.816454 7.729283 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=129) 0 -3.100455 -5.033562 5.511371 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=129) 0 -3.073837 -4.089794 6.053698 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=129) 0 -2.146584 -5.192125 5.010368 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=129) 0 -3.877107 -4.977633 4.753448 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=129) 0 0.153776 -6.592532 8.091569 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=129) 0 0.973885 -5.707235 7.826494 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=130) 0 0.298341 -7.385051 9.161745 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=130) 0 -0.422898 -8.088528 9.304735 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=130) 0 1.380419 -7.325666 10.172047 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=130) 0 1.515929 -6.285162 10.472369 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=130) 0 0.972847 -8.131873 11.429737 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=130) 0 0.889206 -9.178538 11.131629 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=130) 0 1.768135 -8.075627 12.174751 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=130) 0 -0.355682 -7.733221 12.107694 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=130) 0 -1.031201 -7.292148 11.378008 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=130) 0 -0.811794 -8.652205 12.477521 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=130) 0 -0.263701 -6.756952 13.286547 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=130) 0 0.397582 -7.160745 14.055325 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=130) 0 0.116963 -5.797553 12.934640 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=130) 0 -1.685724 -6.598151 13.850923 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=130) 0 -2.340004 -6.226737 13.059592 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=130) 0 -2.052971 -7.582370 14.157274 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=130) 0 -1.767372 -5.683227 15.006479 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=130) 0 -1.203563 -6.017749 15.781490 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=130) 0 -1.432361 -4.758344 14.775835 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=130) 0 -2.734815 -5.627706 15.340109 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=130) 0 2.752786 -7.790107 9.628154 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=130) 0 3.648554 -8.111278 10.406333 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=131) 0 2.917596 -7.842686 8.297572 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=131) 0 2.085551 -7.688176 7.748056 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=131) 0 4.168526 -8.133420 7.562520 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=131) 0 4.991641 -8.200741 8.277497 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=131) 0 4.042589 -9.493885 6.849891 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=131) 0 3.142029 -9.502482 6.237543 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=131) 0 4.903664 -9.660744 6.201252 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=131) 0 3.990776 -10.628431 7.874115 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=131) 0 4.959725 -10.679618 8.366403 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=131) 0 3.228558 -10.410125 8.618090 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=131) 0 3.696998 -11.997372 7.259686 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=131) 0 2.956874 -11.893975 6.465422 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=131) 0 4.617836 -12.397156 6.833042 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=131) 0 3.138409 -12.967983 8.308696 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=131) 0 2.130825 -12.642997 8.579093 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=131) 0 3.061142 -13.962976 7.860314 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=131) 0 3.973768 -13.032790 9.530138 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=131) 0 4.067103 -12.128812 9.986870 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=131) 0 3.584193 -13.688819 10.200692 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=131) 0 4.915143 -13.353532 9.320548 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=131) 0 4.575512 -7.029343 6.575843 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=131) 0 5.588828 -7.173041 5.890747 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=132) 0 3.803194 -5.939860 6.489333 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=132) 0 2.990181 -5.909105 7.086247 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=132) 0 4.073374 -4.807123 5.579459 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=132) 0 5.154087 -4.708272 5.458698 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=132) 0 3.479025 -5.121658 4.194325 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=132) 0 3.742432 -4.317015 3.508013 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=132) 0 3.944533 -6.033556 3.821837 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=132) 0 1.949908 -5.297928 4.184135 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=132) 0 1.646673 -6.055433 4.907528 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=132) 0 1.477611 -4.351757 4.448170 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=132) 0 1.456278 -5.714574 2.797407 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=132) 0 0.368482 -5.658335 2.788614 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=132) 0 1.832825 -4.999384 2.065397 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=132) 0 1.869421 -7.088660 2.453473 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=132) 0 1.618244 -7.838564 3.083921 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=132) 0 2.518711 -7.477142 1.373974 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=132) 0 2.896147 -6.664238 0.440411 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=132) 0 2.762682 -5.655129 0.512022 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=132) 0 3.449378 -7.012101 -0.325248 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=132) 0 2.813409 -8.730838 1.218584 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=132) 0 2.566653 -9.364928 1.971505 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=132) 0 3.311152 -9.056041 0.403539 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=132) 0 3.606510 -3.438059 6.076085 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=132) 0 4.114709 -2.419405 5.622651 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=133) 0 2.614547 -3.388743 6.961441 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=133) 0 2.241753 -4.253345 7.318219 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=133) 0 2.076083 -2.126343 7.497021 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=133) 0 2.026541 -1.402159 6.682727 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=133) 0 0.651333 -2.301779 8.025848 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=133) 0 0.310473 -1.354029 8.442110 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=133) 0 -0.308281 -2.723960 6.912810 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=133) 0 -0.062339 -3.714378 6.534790 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=133) 0 -1.328506 -2.729895 7.291629 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=133) 0 -0.234304 -2.013613 6.093605 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=133) 0 0.607750 -3.287459 9.025477 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=133) 0 0.778168 -4.146779 8.611490 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=133) 0 2.996987 -1.516645 8.556713 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=133) 0 3.771494 -2.224462 9.201311 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=134) 0 2.937678 -0.194012 8.716780 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=134) 0 2.230293 0.313828 8.206400 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=134) 0 4.078878 0.598894 9.184863 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=134) 0 3.719391 1.472096 9.729119 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=134) 0 4.700514 0.004756 9.855049 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=134) 0 4.930290 1.076508 7.995407 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=134) 0 4.507225 0.910968 6.844061 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=135) 0 6.104022 1.692301 8.225515 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=135) 0 6.773092 1.856835 9.507691 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=135) 0 6.746194 0.938792 10.095653 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=135) 0 6.307884 2.676425 10.057395 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=135) 0 8.222145 2.215004 9.171723 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=135) 0 8.808069 1.306109 9.031841 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=135) 0 8.673135 2.843703 9.939553 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=135) 0 8.093887 2.952068 7.839301 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=135) 0 9.011123 2.894044 7.251786 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=135) 0 7.834281 3.990599 8.031058 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=135) 0 6.914445 2.259639 7.150716 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=135) 0 6.328917 3.003949 6.614190 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=135) 0 7.372422 1.180847 6.165200 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=135) 0 7.852618 0.123926 6.576991 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=136) 0 7.244590 1.452046 4.861893 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=136) 0 6.809838 2.330082 4.592058 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=136) 0 7.612569 0.487179 3.818717 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=136) 0 7.058426 -0.439329 3.983563 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=136) 0 7.233716 1.043240 2.445414 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=136) 0 7.724329 2.002208 2.285261 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=136) 0 7.552862 0.341891 1.672487 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=136) 0 6.158432 1.164235 2.364163 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=136) 0 9.106644 0.135362 3.844273 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=136) 0 9.467389 -1.000626 3.544523 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=137) 0 9.965931 1.085616 4.229979 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=137) 0 9.595798 1.985961 4.485484 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=137) 0 11.347833 0.791979 4.576836 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=137) 0 11.684047 -0.042389 3.970493 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=137) 0 12.250087 1.976065 4.221969 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=137) 0 12.070794 2.807592 4.900282 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=137) 0 13.284819 1.657132 4.320249 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=137) 0 12.077982 2.291963 3.193600 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=137) 0 11.430712 0.375661 6.053750 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=137) 0 11.405525 1.223062 6.950254 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=138) 0 11.524365 -0.929337 6.301529 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=138) 0 11.501026 -1.572033 5.513224 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=138) 0 11.675995 -1.515287 7.639501 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=138) 0 10.814526 -1.241949 8.243437 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=138) 0 11.754809 -3.044259 7.536624 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=138) 0 12.677264 -3.311010 7.025240 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=138) 0 11.712890 -3.746255 8.892500 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=138) 0 10.793286 -3.488266 9.416894 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=138) 0 11.747873 -4.825821 8.744200 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=138) 0 12.572418 -3.454103 9.496081 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=138) 0 10.664537 -3.537644 6.792091 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=138) 0 10.945004 -4.399288 6.421450 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=138) 0 12.949261 -0.995733 8.302708 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=138) 0 14.017297 -1.033508 7.693719 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=139) 0 12.876338 -0.514771 9.542356 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=139) 0 11.982242 -0.494971 10.018249 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=139) 0 14.057078 0.064428 10.205828 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=139) 0 14.606463 0.639280 9.461446 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=139) 0 13.666952 1.057356 11.304328 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=139) 0 13.221214 0.519373 12.140122 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=139) 0 14.875976 1.856057 11.788200 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=139) 0 15.344011 2.373180 10.949829 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=139) 0 14.555954 2.590579 12.523103 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=139) 0 15.602180 1.194710 12.259613 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=139) 0 12.727200 1.985043 10.797479 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=139) 0 11.896897 1.827655 11.289093 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=139) 0 14.993706 -1.030820 10.728666 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=139) 0 14.572507 -1.926628 11.461173 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=140) 0 16.271427 -0.957150 10.349094 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=140) 0 16.521595 -0.185203 9.738862 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=140) 0 17.307129 -1.967492 10.574402 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=140) 0 16.867449 -2.852461 11.031977 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=140) 0 17.909224 -2.373158 9.214814 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=140) 0 18.307584 -1.475969 8.744368 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=140) 0 18.747527 -3.048351 9.397020 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=140) 0 16.954831 -3.038361 8.210594 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=140) 0 16.084967 -2.410982 8.046093 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=140) 0 17.695087 -3.187003 6.881636 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=140) 0 18.647125 -3.687069 7.042626 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=140) 0 17.100034 -3.762860 6.176317 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=140) 0 17.881969 -2.198643 6.463618 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=140) 0 16.494598 -4.412723 8.688954 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=140) 0 15.889378 -4.306807 9.589125 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=140) 0 15.885840 -4.890275 7.922898 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=140) 0 17.359985 -5.034194 8.900464 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=140) 0 18.422373 -1.413776 11.482341 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=140) 0 19.166903 -0.523015 11.053688 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=141) 0 18.598676 -1.924398 12.712534 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=141) 0 17.676154 -2.791235 13.433439 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=141) 0 17.615288 -3.779405 12.975079 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=141) 0 16.691403 -2.325171 13.458541 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=141) 0 18.224487 -2.902724 14.857595 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=141) 0 18.853463 -3.788061 14.943940 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=141) 0 17.424698 -2.925673 15.598581 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=141) 0 19.100263 -1.664043 15.006123 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=141) 0 19.873926 -1.810030 15.760490 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=141) 0 18.478131 -0.803671 15.258746 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=141) 0 19.674841 -1.485206 13.598671 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=141) 0 19.887175 -0.429400 13.441138 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=141) 0 20.988491 -2.261871 13.399282 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=141) 0 22.028213 -1.811734 13.887119 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=142) 0 20.959783 -3.409331 12.710334 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=142) 0 20.073293 -3.719025 12.340224 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=142) 0 22.066904 -4.370457 12.638485 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=142) 0 23.006499 -3.829142 12.755214 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=142) 0 21.944902 -5.341579 13.819110 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=142) 0 22.899850 -5.853512 13.947212 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=142) 0 21.740563 -4.790813 14.739302 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=142) 0 20.852587 -6.380146 13.578865 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=142) 0 21.181078 -7.454273 13.029095 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=142) 0 19.679401 -6.146265 13.941037 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=142) 0 22.142682 -5.151287 11.304539 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=142) 0 21.191093 -5.198639 10.518656 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=143) 0 23.293882 -5.785594 11.056863 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=143) 0 24.035961 -5.732561 11.749548 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=143) 0 23.594557 -6.508752 9.819472 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=143) 0 23.346852 -5.876045 8.968455 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=143) 0 24.666685 -6.702134 9.799066 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=143) 0 22.882720 -7.855704 9.637757 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=143) 0 22.728065 -8.290490 8.492922 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=144) 0 22.424420 -8.511521 10.708897 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=144) 0 22.477896 -8.063764 11.617097 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=144) 0 21.689200 -9.776464 10.625965 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=144) 0 22.158377 -10.403658 9.872729 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=144) 0 21.785966 -10.544926 11.946637 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=144) 0 21.270732 -10.010411 12.743530 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=144) 0 21.323215 -11.525714 11.829485 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=144) 0 22.831850 -10.685824 12.213011 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=144) 0 20.231399 -9.531352 10.216899 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=144) 0 19.688267 -10.252880 9.376022 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=145) 0 19.607979 -8.474934 10.747468 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=145) 0 20.086670 -7.946056 11.475387 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=145) 0 18.303897 -8.012846 10.277123 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=145) 0 17.583570 -8.826459 10.379266 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=145) 0 17.848388 -6.850801 11.168037 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=145) 0 18.552364 -6.019921 11.100936 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=145) 0 16.859563 -6.513812 10.856346 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=145) 0 17.789673 -7.182115 12.205292 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=145) 0 18.362322 -7.625126 8.785543 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=145) 0 17.498493 -8.031222 8.006449 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=146) 0 19.421373 -6.918469 8.367373 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=146) 0 20.079309 -6.587360 9.063488 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=146) 0 19.625064 -6.512245 6.976145 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=146) 0 18.778031 -5.896813 6.673130 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=146) 0 20.897174 -5.658285 6.902957 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=146) 0 21.764265 -6.245083 7.200408 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=146) 0 21.052142 -5.313467 5.881429 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=146) 0 20.801889 -4.796459 7.563851 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=146) 0 19.676019 -7.700846 5.997485 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=146) 0 18.926413 -7.724113 5.021118 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=147) 0 20.490508 -8.726450 6.267797 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=147) 0 21.092975 -8.672926 7.080931 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=147) 0 20.602452 -9.878979 5.357865 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=147) 0 20.779574 -9.495897 4.352168 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=147) 0 21.803828 -10.759523 5.715299 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=147) 0 21.880167 -11.553192 4.970930 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=147) 0 22.710849 -10.158202 5.672276 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=147) 0 21.692272 -11.386128 7.105863 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=147) 0 21.919588 -10.621055 7.838218 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=147) 0 20.682706 -11.748149 7.289372 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=147) 0 22.646333 -12.556385 7.271273 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=147) 0 22.166667 -13.712126 7.260422 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=147) 0 23.865831 -12.325312 7.432600 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=147) 0 19.330849 -10.739095 5.283849 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=147) 0 19.103027 -11.397004 4.269112 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=148) 0 18.494444 -10.745253 6.328820 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=148) 0 18.753290 -10.216864 7.154892 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=148) 0 17.232592 -11.495712 6.336387 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=148) 0 17.360879 -12.384814 5.720026 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=148) 0 16.904356 -11.982776 7.744067 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=148) 0 17.803141 -12.391590 8.207135 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=148) 0 16.532068 -11.152925 8.347074 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=148) 0 15.929629 -13.004374 7.652431 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=148) 0 16.408181 -13.865987 7.647495 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=148) 0 16.074642 -10.691600 5.737845 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=148) 0 15.106823 -11.272807 5.236808 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=149) 0 16.177159 -9.359159 5.701621 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=149) 0 16.936078 -8.913389 6.209154 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=149) 0 15.346117 -8.522946 4.836019 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=149) 0 14.305139 -8.820601 4.965637 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=149) 0 15.467976 -7.056664 5.280069 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=149) 0 15.260946 -7.030178 6.351259 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=149) 0 16.485914 -6.694356 5.134733 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=149) 0 14.471766 -6.128067 4.557481 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=149) 0 13.563975 -6.681203 4.315588 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=149) 0 14.090536 -4.978691 5.481558 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=149) 0 14.956386 -4.362347 5.703064 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=149) 0 13.322873 -4.376330 5.001563 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=149) 0 13.677445 -5.373337 6.409369 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=149) 0 15.048377 -5.523462 3.274195 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=149) 0 15.255691 -6.298558 2.541248 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=149) 0 14.323676 -4.838231 2.836007 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=149) 0 15.964703 -4.976177 3.490868 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=149) 0 15.710754 -8.763913 3.365227 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=149) 0 14.822442 -9.069745 2.569205 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=150) 0 17.005955 -8.758922 3.027960 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=150) 0 17.681648 -8.474738 3.733035 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=150) 0 17.506260 -9.119868 1.686384 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=150) 0 17.047965 -8.449896 0.966560 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=150) 0 19.035441 -8.924619 1.604863 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=150) 0 19.504024 -9.395628 2.466843 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=150) 0 19.662636 -9.524162 0.340422 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=150) 0 19.119029 -9.185641 -0.540896 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=150) 0 20.707847 -9.224056 0.261409 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=150) 0 19.627202 -10.612673 0.383903 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=150) 0 19.365464 -7.427827 1.623273 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=150) 0 18.972335 -6.969530 2.526637 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=150) 0 20.446277 -7.282084 1.608501 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=150) 0 18.923872 -6.934687 0.758106 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=150) 0 17.090144 -10.535828 1.272843 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=150) 0 16.797392 -10.774960 0.103991 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=151) 0 16.984718 -11.471323 2.216643 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=151) 0 17.366373 -11.265108 3.132459 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=151) 0 16.519626 -12.834078 1.943018 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=151) 0 17.066419 -13.197392 1.072941 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=151) 0 16.850024 -13.720415 3.155102 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=151) 0 17.790846 -13.396784 3.581931 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=151) 0 16.087440 -13.586921 3.920290 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=151) 0 16.980305 -15.211569 2.827734 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=151) 0 17.212296 -15.749326 3.746979 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=151) 0 16.028811 -15.586672 2.448425 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=151) 0 18.093856 -15.472342 1.811862 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=151) 0 19.249645 -15.051210 2.049036 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=151) 0 17.803493 -16.064021 0.744175 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=151) 0 15.018116 -12.928352 1.619769 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=151) 0 14.595193 -13.892300 0.979103 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=152) 0 14.197307 -11.961951 2.046274 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=152) 0 14.615519 -11.159582 2.502291 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=152) 0 12.726488 -12.092721 2.063091 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=152) 0 12.518798 -13.102359 2.409989 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=152) 0 12.110281 -11.177411 3.124651 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=152) 0 11.040623 -11.381623 3.195257 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=152) 0 12.560719 -11.410465 4.089058 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=152) 0 12.295951 -9.800806 2.852082 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=152) 0 13.234586 -9.615722 2.638933 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=152) 0 12.022864 -11.972774 0.695090 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=152) 0 10.804742 -12.147848 0.598881 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=153) 0 12.783967 -11.731377 -0.372081 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=153) 0 13.777967 -11.619298 -0.218119 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=153) 0 12.346835 -11.687374 -1.773874 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=153) 0 11.604387 -12.459115 -1.964189 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=153) 0 11.722559 -10.311838 -2.023628 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=153) 0 10.759092 -10.257383 -1.514487 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=153) 0 12.390087 -9.576469 -1.580005 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=153) 0 11.556989 -9.952314 -3.381486 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=153) 0 12.098453 -9.138838 -3.478220 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=153) 0 13.559322 -11.926894 -2.680300 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=153) 0 14.694599 -11.681030 -2.269710 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=154) 0 13.363025 -12.363917 -3.925696 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=154) 0 12.416099 -12.560238 -4.235097 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=154) 0 14.461911 -12.532579 -4.902164 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=154) 0 15.242127 -13.137293 -4.445653 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=154) 0 13.958321 -13.279793 -6.139219 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=154) 0 13.149802 -12.711198 -6.598056 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=154) 0 14.768268 -13.367779 -6.864863 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=154) 0 13.480110 -14.687015 -5.776645 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=154) 0 14.339384 -15.282139 -5.464640 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=154) 0 12.771915 -14.652251 -4.947298 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=154) 0 12.789568 -15.329177 -6.969758 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=154) 0 13.425370 -16.143698 -7.678216 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=154) 0 11.588670 -15.044027 -7.193267 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=154) 0 15.117361 -11.204243 -5.322975 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=154) 0 16.168745 -11.205494 -5.963030 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=155) 0 14.494999 -10.091133 -4.926347 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=155) 0 13.621038 -10.239234 -4.442939 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=155) 0 14.912240 -8.692861 -5.072742 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=155) 0 15.984001 -8.635695 -5.253489 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=155) 0 14.152451 -8.052856 -6.249095 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=155) 0 13.082832 -8.184674 -6.083569 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=155) 0 14.421053 -6.549739 -6.352817 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=155) 0 15.484925 -6.365367 -6.503482 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=155) 0 13.836033 -6.154182 -7.176122 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=155) 0 14.089262 -6.032530 -5.454285 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=155) 0 14.508405 -8.706417 -7.592427 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=155) 0 14.284395 -9.771888 -7.564782 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=155) 0 13.899253 -8.274904 -8.384732 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=155) 0 15.565572 -8.570454 -7.813762 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=155) 0 14.566753 -7.943335 -3.779957 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=155) 0 13.447508 -8.090208 -3.288671 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=156) 0 15.471160 -7.114227 -3.257783 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=156) 0 16.362154 -7.024676 -3.739078 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=156) 0 15.284587 -6.276852 -2.064554 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=156) 0 14.233680 -6.018649 -1.948627 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=156) 0 15.712474 -7.091255 -0.840828 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=156) 0 16.764259 -7.360876 -0.937559 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=156) 0 15.566818 -6.502998 0.065706 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=156) 0 15.111799 -7.999494 -0.770191 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=156) 0 16.086243 -4.962095 -2.168920 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=156) 0 16.970904 -4.841054 -3.014898 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=157) 0 15.824823 -3.969472 -1.312083 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=157) 0 15.071076 -4.090858 -0.637509 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=157) 0 16.584974 -2.698915 -1.289013 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=157) 0 17.559444 -2.862941 -1.744740 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=157) 0 15.866221 -1.589319 -2.094306 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=157) 0 14.960476 -1.298358 -1.563295 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=157) 0 16.758343 -0.355061 -2.266261 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=157) 0 17.663732 -0.621051 -2.811378 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=157) 0 16.221269 0.413982 -2.821473 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=157) 0 17.032930 0.049819 -1.295256 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=157) 0 15.476488 -2.008028 -3.518835 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=157) 0 14.772570 -2.832759 -3.478685 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=157) 0 14.990078 -1.179246 -4.033581 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=157) 0 16.358757 -2.319102 -4.076044 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=157) 0 16.830325 -2.236795 0.149944 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=157) 0 15.931479 -2.319345 0.981105 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=158) 0 18.019025 -1.707833 0.459210 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=158) 0 18.729780 -1.658046 -0.265937 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=158) 0 18.303990 -1.047291 1.745126 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=158) 0 17.363597 -0.930710 2.269986 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=158) 0 19.205487 -1.905482 2.666501 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=158) 0 20.146889 -2.095431 2.153133 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=158) 0 19.508526 -1.152142 3.980982 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=158) 0 18.584029 -0.928806 4.512757 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=158) 0 20.164729 -1.737084 4.622240 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=158) 0 20.034887 -0.219054 3.781443 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=158) 0 18.523035 -3.261108 2.972147 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=158) 0 17.589937 -3.077977 3.506220 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=158) 0 18.280900 -3.766080 2.037370 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=158) 0 19.372789 -4.240350 3.788354 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=158) 0 18.814206 -5.164822 3.925200 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=158) 0 20.304088 -4.455159 3.262988 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=158) 0 19.591789 -3.833606 4.772114 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=158) 0 18.856483 0.364360 1.516550 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=158) 0 19.764842 0.561438 0.710648 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=159) 0 18.310095 1.343250 2.237843 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=159) 0 17.542742 1.093825 2.853667 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=159) 0 18.811313 2.714078 2.323528 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=159) 0 19.376970 2.959813 1.426454 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=159) 0 17.978140 3.409641 2.397089 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=159) 0 19.702617 2.905317 3.547905 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=159) 0 19.360540 2.476711 4.648501 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=160) 0 20.837136 3.562998 3.352919 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=160) 0 21.006357 3.953651 2.432198 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=160) 0 21.903653 3.755571 4.327762 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=160) 0 21.648024 3.281118 5.275607 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=160) 0 23.187799 3.105234 3.788384 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=160) 0 23.447427 3.557902 2.829759 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=160) 0 24.005570 3.319167 4.473397 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=160) 0 23.092901 1.604114 3.603416 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=160) 0 22.553117 1.072140 2.418483 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=160) 0 22.196693 1.732401 1.641217 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=160) 0 22.459331 -0.318292 2.249664 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=160) 0 22.008827 -0.714749 1.356396 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=160) 0 22.925665 -1.186715 3.248850 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=160) 0 22.852191 -2.257003 3.114656 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=160) 0 23.473608 -0.656649 4.428075 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=160) 0 23.834115 -1.318982 5.195798 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=160) 0 23.549172 0.734760 4.610449 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=160) 0 23.962113 1.136669 5.522646 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=160) 0 22.060314 5.256101 4.563158 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=160) 0 22.727291 5.946169 3.792488 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=161) 0 21.402092 5.762347 5.605628 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=161) 0 20.915901 5.123433 6.227867 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=161) 0 21.325029 7.188041 5.911807 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=161) 0 22.122892 7.714358 5.391638 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=161) 0 19.997539 7.765442 5.412868 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=161) 0 19.167785 7.264089 5.914223 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=161) 0 19.971018 8.818964 5.691379 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=161) 0 19.821749 7.658968 3.913329 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=161) 0 20.578042 8.486693 3.063887 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=161) 0 21.255243 9.215337 3.484160 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=161) 0 20.489642 8.337233 1.670940 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=161) 0 21.106981 8.944826 1.023179 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=161) 0 19.619716 7.377610 1.128375 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=161) 0 19.561327 7.253174 0.060732 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=161) 0 18.847691 6.561417 1.973113 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=161) 0 18.190036 5.817775 1.551482 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=161) 0 18.954694 6.694753 3.367141 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=161) 0 18.383660 6.049032 4.017970 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=161) 0 21.497769 7.420802 7.408469 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=161) 0 20.565667 7.240152 8.191922 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=162) 0 22.699539 7.842640 7.809266 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=162) 0 23.403162 8.010757 7.089217 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=162) 0 23.027836 8.177699 9.201052 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=162) 0 22.832737 7.312606 9.833475 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=162) 0 24.528316 8.487785 9.265760 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=162) 0 25.083428 7.609187 8.930761 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=162) 0 24.753360 9.316306 8.590993 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=162) 0 24.985736 8.856647 10.681304 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=162) 0 24.498477 9.786988 10.966430 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=162) 0 24.685561 8.079528 11.386113 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=162) 0 26.511971 9.020786 10.730885 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=162) 0 26.956693 8.048728 10.943477 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=162) 0 26.888733 9.351566 9.763238 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=162) 0 26.957195 10.029210 11.793816 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=162) 0 26.575565 9.722281 12.772418 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=162) 0 28.049539 10.022511 11.842290 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=162) 0 26.482376 11.394634 11.466678 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=162) 0 25.473219 11.467109 11.567735 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=162) 0 26.876968 12.087799 12.096186 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=162) 0 26.698684 11.655444 10.506770 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=162) 0 22.144091 9.314335 9.733716 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=162) 0 21.785743 9.309411 10.910435 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=163) 0 21.729753 10.236397 8.866516 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=163) 0 22.100416 10.200032 7.923264 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=163) 0 20.689066 11.226844 9.124487 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=163) 0 20.471911 11.243283 10.192722 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=163) 0 21.205038 12.618205 8.742710 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=163) 0 22.245336 12.713288 9.060545 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=163) 0 21.168700 12.767392 7.663528 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=163) 0 20.374658 13.673909 9.457214 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=163) 0 19.149346 13.761320 9.230614 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=163) 0 20.932698 14.312691 10.378552 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=163) 0 19.389672 10.858884 8.389544 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=163) 0 19.227475 11.119185 7.195568 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=164) 0 18.447151 10.240002 9.099718 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=164) 0 18.614020 10.080129 10.082946 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=164) 0 17.197234 9.730221 8.511311 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=164) 0 17.455733 9.357582 7.524539 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=164) 0 16.702723 8.495781 9.290367 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=164) 0 17.495702 7.747502 9.252380 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=164) 0 16.434715 8.806307 10.759104 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=164) 0 15.700269 9.607338 10.842873 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=164) 0 16.061885 7.914420 11.258651 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=164) 0 17.362034 9.096935 11.244509 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=164) 0 15.452962 7.855173 8.684344 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=164) 0 15.591432 7.731236 7.612939 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=164) 0 15.283514 6.879472 9.141371 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=164) 0 14.583213 8.483547 8.864068 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=164) 0 16.133630 10.820801 8.276010 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=164) 0 15.215627 10.623806 7.479943 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=165) 0 16.272076 12.008971 8.871785 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=165) 0 17.018269 12.115231 9.550621 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=165) 0 15.470854 13.201839 8.533690 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=165) 0 14.462452 12.883375 8.272991 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=165) 0 15.356455 14.144516 9.749107 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=165) 0 16.241462 14.070102 10.378104 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=165) 0 15.303394 15.175293 9.396583 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=165) 0 14.095077 13.901109 10.587051 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=165) 0 14.043624 14.669099 11.361636 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=165) 0 13.220473 14.022899 9.946380 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=165) 0 14.051149 12.520085 11.243174 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=165) 0 14.420016 12.402502 12.435898 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=165) 0 13.575660 11.557089 10.598242 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=165) 0 15.982306 13.963118 7.293919 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=165) 0 15.274220 14.841675 6.783675 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=166) 0 17.174285 13.639717 6.781984 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=166) 0 17.731787 12.953628 7.276854 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=166) 0 17.742433 14.263322 5.577950 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=166) 0 17.753329 15.340714 5.743220 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=166) 0 19.196489 13.826631 5.364965 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=166) 0 19.638641 14.445188 4.582742 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=166) 0 19.760823 13.982725 6.284982 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=166) 0 19.286272 12.469197 4.970973 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=166) 0 19.185495 11.922446 5.785711 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=166) 0 16.920510 14.002557 4.307538 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=166) 0 16.182433 13.017605 4.210969 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=167) 0 17.070776 14.891112 3.317481 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=167) 0 17.628705 15.718373 3.492556 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=167) 0 16.370756 14.862426 2.025033 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=167) 0 15.342540 15.200109 2.157587 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=167) 0 17.085474 15.802226 1.035920 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=167) 0 18.149245 15.559345 0.999229 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=167) 0 16.670457 15.631775 0.040616 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=167) 0 16.930127 17.279659 1.380577 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=167) 0 17.173249 17.660172 2.549570 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=167) 0 16.525872 18.053912 0.488034 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=167) 0 16.336969 13.460643 1.412621 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=167) 0 15.265434 12.924066 1.137109 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=168) 0 17.517525 12.860990 1.258598 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=168) 0 18.339466 13.392054 1.506946 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=168) 0 17.743954 11.569740 0.611957 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=168) 0 17.320975 11.590303 -0.391619 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=168) 0 19.249907 11.365696 0.493643 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=168) 0 19.709725 11.397302 1.483487 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=168) 0 19.454582 10.395062 0.044041 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=168) 0 19.787533 12.395530 -0.315923 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=168) 0 20.743395 12.183627 -0.416073 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=168) 0 17.130208 10.390765 1.364084 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=168) 0 16.619710 9.464016 0.738005 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=169) 0 17.110436 10.435790 2.696405 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=169) 0 17.486275 11.249476 3.166450 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=169) 0 16.498653 9.393211 3.512536 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=169) 0 16.859067 8.418865 3.181785 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=169) 0 16.940500 9.622168 4.952298 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=169) 0 16.559617 10.577927 5.310755 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=169) 0 16.558916 8.815379 5.576584 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=169) 0 18.024875 9.648609 5.006533 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=169) 0 14.968102 9.400592 3.394952 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=169) 0 14.337881 8.351821 3.238781 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=170) 0 14.364924 10.594234 3.399987 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=170) 0 14.945330 11.417721 3.548950 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=170) 0 12.919068 10.774169 3.216699 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=170) 0 12.398383 10.003309 3.780472 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=170) 0 12.518052 12.137576 3.795369 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=170) 0 13.170108 12.896765 3.363337 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=170) 0 11.498580 12.372897 3.501367 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=170) 0 12.610099 12.203511 5.335387 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=170) 0 13.583763 11.840530 5.664276 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=170) 0 12.527927 13.247957 5.632273 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=170) 0 11.489822 11.430146 6.055539 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=170) 0 10.531191 11.834821 5.726067 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=170) 0 11.518083 10.373414 5.796705 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=170) 0 11.583316 11.601276 7.579672 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=170) 0 11.847592 12.640894 7.793179 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=170) 0 10.602264 11.421686 8.028239 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=170) 0 12.576273 10.696252 8.203982 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=170) 0 13.450828 10.659231 7.689229 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=170) 0 12.830357 11.033835 9.133575 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=170) 0 12.228117 9.752427 8.349575 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=170) 0 12.483834 10.569605 1.757693 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=170) 0 11.404536 10.022340 1.536823 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=171) 0 13.341260 10.875153 0.779909 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=171) 0 14.172088 11.400025 1.031501 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=171) 0 13.186563 10.468094 -0.626941 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=171) 0 12.233986 10.831275 -1.013587 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=171) 0 14.333875 11.054399 -1.463099 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=171) 0 15.268584 10.906208 -0.929279 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=171) 0 14.414499 10.503585 -2.399954 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=171) 0 14.182151 12.547307 -1.776406 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=171) 0 13.800265 13.076563 -0.911359 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=171) 0 15.169329 12.949327 -1.999713 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=171) 0 13.267025 12.835085 -2.956156 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=171) 0 12.409894 12.051179 -3.343776 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=171) 0 13.450061 13.948803 -3.611274 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=171) 0 12.815012 14.176804 -4.365331 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=171) 0 14.146540 14.614259 -3.284515 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=171) 0 13.210069 8.943520 -0.789470 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=171) 0 12.396345 8.380523 -1.520193 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=172) 0 14.117141 8.261368 -0.086552 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=172) 0 14.823194 8.774618 0.431540 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=172) 0 14.204284 6.804994 -0.098189 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=172) 0 14.202818 6.470960 -1.129232 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=172) 0 15.526993 6.374248 0.538952 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=172) 0 16.352352 6.687098 -0.102111 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=172) 0 15.647932 6.871392 1.501192 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=172) 0 15.596257 4.881658 0.747121 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=172) 0 15.793599 4.024860 -0.348572 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=172) 0 15.946897 4.432280 -1.334533 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=172) 0 15.758722 2.634835 -0.166769 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=172) 0 15.888787 1.980946 -1.012748 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=172) 0 15.521405 2.099295 1.108838 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=172) 0 15.490395 1.027304 1.250961 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=172) 0 15.306361 2.957089 2.198798 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=172) 0 15.105938 2.545829 3.172336 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=172) 0 15.348482 4.347254 2.021793 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=172) 0 15.163262 5.005680 2.856564 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=172) 0 12.985085 6.137912 0.549982 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=172) 0 12.427651 5.203182 -0.026900 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=173) 0 12.496006 6.671832 1.673637 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=173) 0 13.032684 7.399086 2.136072 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=173) 0 11.189289 6.297521 2.221838 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=173) 0 11.197537 5.229197 2.440860 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=173) 0 10.939541 7.078428 3.526135 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=173) 0 11.290648 8.100300 3.397424 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=173) 0 9.867444 7.126245 3.724867 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=173) 0 11.641691 6.432894 4.735917 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=173) 0 12.610361 6.038947 4.429792 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=173) 0 11.872140 7.452824 5.850033 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=173) 0 10.923644 7.894177 6.155585 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=173) 0 12.335003 6.960316 6.706025 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=173) 0 12.550045 8.226756 5.492461 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=173) 0 10.793325 5.290227 5.299673 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=173) 0 10.581205 4.560786 4.520833 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=173) 0 11.332536 4.800877 6.111459 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=173) 0 9.850493 5.679031 5.684308 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=173) 0 10.073804 6.517676 1.187013 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=173) 0 9.276895 5.613956 0.962285 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=174) 0 10.062908 7.644620 0.470485 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=174) 0 10.727932 8.373974 0.701491 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=174) 0 9.093547 7.900245 -0.601406 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=174) 0 8.103880 7.735285 -0.176099 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=174) 0 9.196407 9.372560 -1.051457 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=174) 0 10.176954 9.773838 -0.801988 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=174) 0 9.092676 9.439949 -2.130880 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=174) 0 8.117882 10.256451 -0.409612 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=174) 0 8.118786 10.112426 0.670672 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=174) 0 8.347319 11.301886 -0.613491 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=174) 0 6.731577 9.941708 -0.960542 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=174) 0 5.997001 9.109538 -0.443941 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=174) 0 6.325601 10.520302 -2.066419 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=174) 0 5.386042 10.329170 -2.398832 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=174) 0 6.899486 11.210439 -2.545493 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=174) 0 9.190741 6.923710 -1.793413 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=174) 0 8.170484 6.678178 -2.440627 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=175) 0 10.352890 6.322404 -2.068551 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=175) 0 11.173122 6.608169 -1.546990 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=175) 0 10.490072 5.234443 -3.044059 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=175) 0 9.903435 5.475966 -3.930427 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=175) 0 11.956881 5.121835 -3.467113 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=175) 0 12.563349 4.778191 -2.629482 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=175) 0 12.044065 4.406929 -4.286239 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=175) 0 12.321215 6.091528 -3.798700 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=175) 0 9.958295 3.895052 -2.504908 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=175) 0 9.180350 3.224255 -3.185004 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=176) 0 10.313241 3.538889 -1.266090 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=176) 0 10.961425 4.133240 -0.759436 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=176) 0 9.806675 2.343292 -0.589713 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=176) 0 10.112659 1.458735 -1.146030 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=176) 0 10.422231 2.300693 0.814420 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=176) 0 10.072734 3.143165 1.410218 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=176) 0 10.128403 1.374804 1.305366 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=176) 0 11.508770 2.345971 0.747486 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=176) 0 8.272162 2.342909 -0.516328 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=176) 0 7.607833 1.361647 -0.834936 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=177) 0 7.698260 3.493175 -0.169691 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=177) 0 8.314553 4.255479 0.100991 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=177) 0 6.257902 3.722144 -0.058572 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=177) 0 5.824880 2.892121 0.498239 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=177) 0 6.059834 5.022417 0.748167 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=177) 0 6.647301 5.809701 0.274031 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=177) 0 5.029069 5.354159 0.700714 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=177) 0 6.484895 4.919983 2.231154 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=177) 0 7.508748 4.557098 2.300232 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=177) 0 6.465328 5.927162 2.652503 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=177) 0 5.624288 4.013397 3.118455 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=177) 0 4.707241 3.304819 2.645983 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=177) 0 5.832958 3.997545 4.353461 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=177) 0 5.520523 3.730914 -1.419537 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=177) 0 4.294073 3.865697 -1.449140 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=178) 0 6.234808 3.558875 -2.540229 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=178) 0 7.239786 3.472392 -2.444014 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=178) 0 5.682621 3.388743 -3.888703 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=178) 0 4.613032 3.604138 -3.869330 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=178) 0 6.343546 4.429699 -4.796966 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=178) 0 7.424146 4.289949 -4.810278 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=178) 0 5.962426 4.333619 -5.813902 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=178) 0 6.109058 5.423201 -4.421036 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=178) 0 5.831027 1.955040 -4.449296 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=178) 0 5.026879 1.547719 -5.297987 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=179) 0 6.790193 1.157528 -3.958908 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=179) 0 7.407561 1.534254 -3.247722 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=179) 0 6.984054 -0.257678 -4.331197 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=179) 0 6.117565 -0.591791 -4.898080 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=179) 0 8.206775 -0.455512 -5.268194 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=179) 0 9.110158 -0.173995 -4.728377 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=179) 0 8.329523 -1.925507 -5.720715 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=179) 0 7.544884 -2.162026 -6.435939 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=179) 0 9.294169 -2.090364 -6.192882 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=179) 0 8.263000 -2.614895 -4.884823 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=179) 0 8.099452 0.435663 -6.529622 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=179) 0 7.137489 0.264361 -7.012840 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=179) 0 8.139880 1.480388 -6.224565 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=179) 0 9.204399 0.210342 -7.573304 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=179) 0 9.131837 -0.784779 -8.009759 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=179) 0 9.090819 0.925829 -8.383272 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=179) 0 10.181004 0.344074 -7.110952 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=179) 0 7.002396 -1.133846 -3.066877 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=179) 0 8.025183 -1.663798 -2.648350 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=180) 0 5.820426 -1.346679 -2.488082 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=180) 0 5.013722 -0.861478 -2.862174 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=180) 0 5.585954 -2.346660 -1.433763 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=180) 0 6.298461 -2.180281 -0.623053 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=180) 0 4.165998 -2.098451 -0.907117 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=180) 0 4.128392 -1.072932 -0.543136 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=180) 0 3.455898 -2.177528 -1.729662 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=180) 0 3.719090 -3.035884 0.215096 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=180) 0 4.050127 -2.760751 1.390726 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=180) 0 2.945711 -3.978158 -0.069436 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=180) 0 5.785405 -3.794052 -1.940568 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=180) 0 5.881242 -4.735836 -1.154096 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=181) 0 5.872681 -3.978021 -3.261292 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=181) 0 5.757918 -3.157105 -3.844459 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=181) 0 6.147614 -5.234088 -3.966849 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=181) 0 5.698049 -6.029224 -3.390503 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=181) 0 5.404150 -5.279021 -5.317870 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=181) 0 5.743584 -6.147603 -5.883374 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=181) 0 4.346058 -5.440295 -5.106475 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=181) 0 5.500082 -4.024712 -6.194093 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=181) 0 5.135378 -2.916425 -5.728352 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=181) 0 5.807634 -4.162922 -7.400671 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=181) 0 7.638685 -5.629353 -3.997050 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=181) 0 8.013148 -6.631238 -4.612988 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=182) 0 8.481200 -4.903719 -3.258772 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=182) 0 8.100913 -4.098277 -2.770861 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=182) 0 9.863003 -5.253543 -2.906330 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=182) 0 10.044374 -6.300060 -3.138721 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=182) 0 10.845584 -4.390701 -3.739419 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=182) 0 10.591318 -3.343454 -3.587090 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=182) 0 12.297166 -4.599600 -3.286696 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=182) 0 12.559320 -5.650656 -3.382737 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=182) 0 12.970884 -4.005490 -3.895069 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=182) 0 12.426296 -4.270233 -2.257313 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=182) 0 10.728410 -4.703373 -5.250177 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=182) 0 10.986601 -5.749676 -5.411240 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=182) 0 9.696750 -4.562759 -5.567950 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=182) 0 11.598615 -3.826909 -6.166357 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=182) 0 12.645476 -4.116499 -6.094154 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=182) 0 11.277786 -3.956396 -7.200330 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=182) 0 11.496155 -2.777242 -5.891153 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=182) 0 10.032396 -5.035242 -1.384795 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=182) 0 9.473050 -4.071506 -0.860240 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=183) 0 10.808919 -5.854657 -0.646082 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=183) 0 11.289529 -7.179544 -0.966012 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=183) 0 12.300698 -7.104118 -1.360055 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=183) 0 10.638842 -7.697478 -1.664071 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=183) 0 11.316120 -7.910432 0.374940 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=183) 0 12.010878 -8.747706 0.374891 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=183) 0 10.311347 -8.240640 0.641442 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=183) 0 11.776224 -6.820238 1.334764 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=183) 0 12.866858 -6.792137 1.343824 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=183) 0 11.398645 -6.991667 2.342790 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=183) 0 11.194670 -5.537608 0.723227 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=183) 0 10.304718 -5.253149 1.285223 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=183) 0 12.205930 -4.391044 0.719900 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=183) 0 13.321744 -4.527401 0.205650 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=184) 0 11.816629 -3.267819 1.313116 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=184) 0 10.889545 -3.245472 1.720046 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=184) 0 12.702359 -2.138261 1.572183 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=184) 0 13.595534 -2.236134 0.962663 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=184) 0 12.032972 -0.816562 1.178265 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=184) 0 10.998835 -0.828757 1.517154 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=184) 0 12.536169 -0.007808 1.709473 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=184) 0 12.049572 -0.481074 -0.301812 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=184) 0 11.149355 -1.100075 -1.183904 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=184) 0 10.460804 -1.847603 -0.822081 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=184) 0 11.098265 -0.703769 -2.529859 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=184) 0 10.386965 -1.167561 -3.192375 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=184) 0 11.923097 0.329188 -2.998720 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=184) 0 11.824896 0.667526 -4.017218 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=184) 0 12.836849 0.943276 -2.128128 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=184) 0 13.463352 1.750441 -2.478500 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=184) 0 12.897477 0.532666 -0.785391 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=184) 0 13.558341 1.037433 -0.106740 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=184) 0 13.120543 -2.133720 3.045158 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=184) 0 12.295060 -2.351011 3.930828 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=185) 0 14.386253 -1.824173 3.316279 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=185) 0 15.022616 -1.728786 2.530729 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=185) 0 14.911784 -1.546527 4.653683 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=185) 0 14.103683 -1.578952 5.378803 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=185) 0 15.640985 -2.307241 4.922821 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=185) 0 15.594280 -0.181636 4.727724 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=185) 0 16.065235 0.324958 3.714154 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=186) 0 15.684667 0.421124 5.910435 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=186) 0 15.260148 -0.032593 6.716005 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=186) 0 16.449852 1.655473 6.148413 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=186) 0 17.119635 1.801262 5.303601 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=186) 0 15.523147 2.891310 6.212823 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=186) 0 14.884363 2.860086 5.334761 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=186) 0 14.597151 2.878003 7.440751 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=186) 0 15.168536 3.025160 8.357890 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=186) 0 13.856805 3.672408 7.358513 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=186) 0 14.063359 1.929917 7.499693 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=186) 0 16.345803 4.194359 6.115808 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=186) 0 16.933976 4.333155 7.023880 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=186) 0 17.032323 4.114548 5.271766 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=186) 0 15.481667 5.441213 5.896720 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=186) 0 14.877809 5.641255 6.780587 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=186) 0 16.127261 6.298280 5.704787 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=186) 0 14.822158 5.295236 5.043838 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=186) 0 17.328452 1.508992 7.389181 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=186) 0 16.910113 0.906759 8.374575 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=187) 0 18.544666 2.048903 7.358773 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=187) 0 18.870421 2.477138 6.496216 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=187) 0 19.461947 2.025885 8.502076 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=187) 0 18.872057 1.870647 9.403137 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=187) 0 20.442257 0.848640 8.398649 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=187) 0 19.869115 -0.060760 8.229438 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=187) 0 21.464990 0.968701 7.268821 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=187) 0 22.215507 1.720481 7.511673 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=187) 0 21.949361 0.008571 7.116349 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=187) 0 20.965782 1.238282 6.340012 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=187) 0 21.131066 0.713941 9.619968 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=187) 0 20.528041 0.227717 10.211009 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=187) 0 20.205884 3.344117 8.676962 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=187) 0 20.673683 3.938031 7.703690 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=188) 0 20.357058 3.766206 9.933138 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=188) 0 19.883762 3.249473 10.668636 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=188) 0 21.220195 4.878874 10.344182 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=188) 0 21.635905 5.332867 9.447017 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=188) 0 20.401564 5.973904 11.043914 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=188) 0 21.049371 6.824628 11.253750 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=188) 0 19.605620 6.307635 10.376726 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=188) 0 19.821506 5.529000 12.258846 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=188) 0 19.439279 6.336292 12.688284 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=188) 0 22.437315 4.427408 11.164452 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=188) 0 23.130349 5.264213 11.743020 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=189) 0 22.718956 3.117409 11.231117 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=189) 0 22.137197 2.469698 10.713227 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=189) 0 23.866598 2.569943 11.959391 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=189) 0 24.268073 3.343794 12.616930 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=189) 0 23.415890 1.411160 12.866745 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=189) 0 22.660136 1.770703 13.560542 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=189) 0 22.982062 0.615787 12.263352 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=189) 0 24.574697 0.856310 13.679864 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=189) 0 25.619480 1.474745 13.807815 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=189) 0 24.467551 -0.328202 14.224750 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=189) 0 25.315529 -0.691086 14.665531 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=189) 0 23.651812 -0.907345 14.063682 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=189) 0 24.999121 2.153449 11.006180 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=189) 0 24.814181 1.306459 10.128256 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=190) 0 26.203159 2.690891 11.216382 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=190) 0 26.341054 3.293648 12.015684 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=190) 0 27.355981 2.418551 10.356489 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=190) 0 27.002419 2.517907 9.334351 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=190) 0 28.437924 3.481382 10.526454 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=190) 0 29.230791 3.289217 9.803548 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=190) 0 28.017593 4.467666 10.323476 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=190) 0 28.978847 3.460920 11.829954 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=190) 0 29.932479 3.660681 11.725321 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=190) 0 27.930184 0.998152 10.475031 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=190) 0 28.663368 0.580213 9.578953 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=191) 0 27.535987 0.190093 11.468231 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=191) 0 26.998802 0.585740 12.231658 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=191) 0 27.772657 -1.267447 11.433187 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=191) 0 28.844258 -1.469029 11.440281 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=191) 0 27.121237 -1.954889 12.642297 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=191) 0 26.071759 -1.669546 12.686524 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=191) 0 27.142814 -3.033284 12.491721 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=191) 0 27.807082 -1.664303 13.973091 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=191) 0 28.995885 -2.028636 14.140708 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=191) 0 27.129617 -1.125540 14.877012 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=191) 0 27.166610 -1.901908 10.167973 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=191) 0 27.782195 -2.742961 9.506828 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=192) 0 25.954801 -1.472579 9.805193 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=192) 0 25.528618 -0.729789 10.347962 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=192) 0 25.188706 -2.028339 8.682814 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=192) 0 25.317551 -3.111132 8.687032 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=192) 0 23.683814 -1.728950 8.836963 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=192) 0 23.501527 -0.691888 8.564403 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=192) 0 22.849174 -2.651331 7.940128 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=192) 0 22.976609 -3.687083 8.252189 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=192) 0 21.794804 -2.384093 8.018299 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=192) 0 23.154340 -2.555488 6.901415 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=192) 0 23.196269 -1.944297 10.275580 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=192) 0 23.589654 -1.164987 10.924793 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=192) 0 22.107665 -1.898493 10.317391 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=192) 0 23.537888 -2.911999 10.632814 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=192) 0 25.737394 -1.507029 7.354166 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=192) 0 25.867336 -2.276372 6.406637 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=193) 0 26.167063 -0.239089 7.308691 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=193) 0 26.029587 0.329153 8.132880 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=193) 0 26.968992 0.308920 6.204401 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=193) 0 26.392775 0.303267 5.278416 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=193) 0 27.410624 1.745653 6.530192 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=193) 0 27.840998 1.767479 7.524989 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=193) 0 28.237275 1.971484 5.868340 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=193) 0 26.426628 2.898190 6.416619 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=193) 0 26.780797 4.012818 5.629583 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=193) 0 27.684969 3.998327 5.035028 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=193) 0 25.988992 5.171864 5.643951 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=193) 0 26.276414 6.033608 5.059579 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=193) 0 24.823992 5.217140 6.423647 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=193) 0 24.218848 6.110978 6.419424 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=193) 0 24.442642 4.099605 7.185782 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=193) 0 23.536058 4.131951 7.775677 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=193) 0 25.247056 2.945237 7.187389 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=193) 0 24.955491 2.105136 7.795206 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=193) 0 28.246165 -0.525189 5.978659 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=193) 0 28.552035 -0.918381 4.851027 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=194) 0 28.977824 -0.824176 7.059952 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=194) 0 28.667068 -0.460020 7.952652 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=194) 0 30.268465 -1.527131 7.014079 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=194) 0 30.945751 -0.980517 6.355909 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=194) 0 30.911866 -1.606431 8.401948 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=194) 0 30.298533 -2.240814 9.042976 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=194) 0 31.897661 -2.065456 8.306293 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=194) 0 31.058642 -0.333650 9.012318 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=194) 0 30.159289 0.004092 9.219284 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=194) 0 30.136675 -2.951401 6.473465 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=194) 0 31.015244 -3.406318 5.742039 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=195) 0 29.025047 -3.650191 6.753799 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=195) 0 28.349172 -3.238357 7.389507 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=195) 0 28.747716 -4.986714 6.190561 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=195) 0 29.558986 -5.655171 6.483932 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=195) 0 27.435776 -5.528944 6.788154 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=195) 0 27.516907 -5.512071 7.876703 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=195) 0 26.601158 -4.891691 6.491456 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=195) 0 27.158857 -6.971171 6.330776 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=195) 0 26.896852 -6.971795 5.272413 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=195) 0 28.061609 -7.568532 6.469333 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=195) 0 26.019017 -7.622311 7.117378 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=195) 0 26.292967 -7.660583 8.173642 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=195) 0 25.105840 -7.036099 6.998351 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=195) 0 25.790780 -9.043693 6.592370 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=195) 0 25.391494 -8.989853 5.575036 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=195) 0 26.748266 -9.570244 6.554223 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=195) 0 24.858512 -9.782831 7.465994 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=195) 0 23.968163 -9.305151 7.556117 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=195) 0 24.681052 -10.733378 7.143389 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=195) 0 25.222684 -9.874373 8.412918 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=195) 0 28.727915 -4.993145 4.653589 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=195) 0 29.043915 -6.012999 4.042068 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=196) 0 28.433224 -3.851277 4.029654 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=196) 0 28.192500 -3.052373 4.602331 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=196) 0 28.369372 -3.683286 2.575275 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=196) 0 28.617831 -4.638711 2.113612 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=196) 0 26.917205 -3.376359 2.171799 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=196) 0 26.637609 -2.395986 2.561227 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=196) 0 26.842272 -3.340134 1.084732 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=196) 0 25.946535 -4.428531 2.687430 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=196) 0 25.996471 -5.740334 2.175649 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=196) 0 26.681413 -5.984335 1.375151 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=196) 0 25.191892 -6.750895 2.737106 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=196) 0 25.252921 -7.760307 2.360005 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=196) 0 24.327446 -6.453582 3.813070 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=196) 0 23.592146 -7.437976 4.395250 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=196) 0 23.756084 -8.301512 3.968574 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=196) 0 24.263862 -5.135978 4.313009 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=196) 0 23.610948 -4.914786 5.142957 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=196) 0 25.075220 -4.129405 3.752684 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=196) 0 25.057650 -3.131272 4.166058 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=196) 0 29.424708 -2.704767 2.024916 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=196) 0 29.283457 -2.228738 0.896468 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=197) 0 30.514584 -2.469066 2.769826 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=197) 0 30.569077 -2.914849 3.678549 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=197) 0 31.654181 -1.615147 2.387362 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=197) 0 32.326981 -1.603459 3.245053 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=197) 0 32.440413 -2.231547 1.206219 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=197) 0 31.801357 -2.272347 0.324333 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=197) 0 33.278931 -1.579784 0.960476 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=197) 0 33.000827 -3.635801 1.468215 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=197) 0 32.187780 -4.323330 1.692631 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=197) 0 33.497258 -3.983061 0.564979 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=197) 0 34.008811 -3.654307 2.607614 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=197) 0 33.824361 -4.304712 3.626321 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=197) 0 35.100419 -2.940665 2.500066 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=197) 0 35.759470 -2.950021 3.265797 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=197) 0 35.310048 -2.448015 1.638122 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=197) 0 31.305585 -0.131307 2.149694 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=197) 0 31.953651 0.537685 1.343433 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=198) 0 30.278010 0.404367 2.815346 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=198) 0 29.776743 -0.163626 3.489023 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=198) 0 29.825203 1.780162 2.589006 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=198) 0 30.107791 2.076065 1.579268 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=198) 0 28.289176 1.855694 2.648093 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=198) 0 27.973712 1.674946 3.671857 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=198) 0 27.987505 2.869692 2.381289 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=198) 0 27.538624 0.860105 1.744044 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=198) 0 27.758743 -0.157084 2.065456 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=198) 0 26.040273 1.087068 1.911220 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=198) 0 25.761707 2.074929 1.542962 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=198) 0 25.487877 0.325459 1.366453 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=198) 0 25.779029 1.009473 2.964367 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=198) 0 27.890079 0.994107 0.261248 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=198) 0 28.935391 0.731891 0.101418 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=198) 0 27.267739 0.322267 -0.328741 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=198) 0 27.719898 2.017634 -0.070310 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=198) 0 30.500680 2.770736 3.553138 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=198) 0 30.230513 2.778211 4.753146 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=199) 0 31.338050 3.662292 3.024895 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=199) 0 31.553351 3.584987 2.038724 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=199) 0 31.873813 4.822600 3.757811 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=199) 0 32.077737 4.526641 4.788365 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=199) 0 33.202893 5.258522 3.120444 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=199) 0 33.730826 5.899092 3.828586 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=199) 0 33.825221 4.381171 2.939998 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=199) 0 33.007495 6.025259 1.808184 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=199) 0 32.549135 5.412579 0.813648 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=199) 0 33.312485 7.240026 1.762633 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=199) 0 30.892399 6.010868 3.790874 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=199) 0 31.028468 6.920858 4.610772 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=200) 0 29.919196 6.010739 2.876374 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=200) 0 29.866480 5.191397 2.282247 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=200) 0 29.094871 7.154512 2.471790 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=200) 0 29.231489 7.984082 3.166978 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=200) 0 29.594366 7.570870 1.075859 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=200) 0 30.650019 7.833171 1.150157 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=200) 0 29.521184 6.700344 0.429367 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=200) 0 28.864429 8.743208 0.403386 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=200) 0 27.788469 8.631458 0.494351 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=200) 0 29.148998 9.668545 0.905121 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=200) 0 29.219140 8.843968 -1.090841 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=200) 0 28.793123 9.760208 -1.488056 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=200) 0 30.299780 8.925234 -1.194397 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=200) 0 28.733632 7.666424 -1.953231 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=200) 0 29.100292 7.815450 -2.973559 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=200) 0 29.176462 6.736181 -1.586761 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=200) 0 27.255060 7.558736 -1.972948 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=200) 0 26.843254 8.440293 -2.271008 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=200) 0 26.959164 6.824858 -2.612080 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=200) 0 26.880002 7.347611 -1.052176 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=200) 0 27.618879 6.761610 2.456104 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=200) 0 27.284556 5.625260 2.119519 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=201) 0 26.737978 7.706355 2.766805 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=201) 0 27.075406 8.608841 3.070298 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=201) 0 25.286886 7.523438 2.670118 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=201) 0 25.008091 6.674904 3.294297 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=201) 0 24.578387 8.767318 3.216900 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=201) 0 24.810059 9.618226 2.574062 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=201) 0 23.501616 8.605808 3.183729 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=201) 0 24.992335 9.097571 4.650921 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=201) 0 24.298038 8.690910 5.607508 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=201) 0 25.977150 9.850356 4.831678 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=201) 0 24.820294 7.215626 1.231212 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=201) 0 25.437153 7.636797 0.241891 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=202) 0 23.717613 6.480669 1.093128 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=202) 0 23.214674 6.193789 1.932008 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=202) 0 23.192307 6.053233 -0.204113 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=202) 0 22.700484 6.892831 -0.691725 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=202) 0 24.019358 5.722984 -0.833568 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=202) 0 22.176880 4.921764 -0.106280 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=202) 0 21.538360 4.720819 0.920698 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=203) 0 22.009465 4.174154 -1.195075 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=203) 0 22.604075 4.340690 -1.993853 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=203) 0 21.055959 3.058747 -1.292535 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=203) 0 20.796342 2.719648 -0.290667 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=203) 0 19.753933 3.497722 -2.001743 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=203) 0 19.977120 3.781027 -3.026456 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=203) 0 18.708953 2.380552 -2.036796 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=203) 0 18.483336 2.053931 -1.022608 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=203) 0 17.795777 2.739730 -2.505187 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=203) 0 19.071993 1.538438 -2.622993 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=203) 0 19.114736 4.710585 -1.315475 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=203) 0 19.753501 5.582093 -1.444396 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=203) 0 18.150700 4.939771 -1.759417 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=203) 0 18.976750 4.508286 -0.254907 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=203) 0 21.723866 1.889975 -2.010393 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=203) 0 22.528411 2.099624 -2.917316 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=204) 0 21.389559 0.660983 -1.623092 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=204) 0 20.739579 0.559467 -0.847570 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=204) 0 21.858854 -0.563318 -2.278135 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=204) 0 22.349361 -0.294048 -3.210453 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=204) 0 22.895240 -1.305136 -1.417084 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=204) 0 22.419485 -1.653986 -0.504950 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=204) 0 23.451489 -2.524088 -2.146167 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=204) 0 23.938863 -2.213915 -3.070251 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=204) 0 24.171187 -3.025746 -1.500132 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=204) 0 22.651715 -3.229498 -2.370690 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=204) 0 24.089657 -0.415348 -1.048597 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=204) 0 23.764325 0.412128 -0.419310 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=204) 0 24.828348 -0.995575 -0.496671 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=204) 0 24.551779 -0.013512 -1.950713 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=204) 0 20.669510 -1.459755 -2.610852 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=204) 0 19.860512 -1.783274 -1.741774 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=205) 0 20.573875 -1.871255 -3.873761 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=205) 0 21.321169 -1.599207 -4.505118 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=205) 0 19.615177 -2.856991 -4.366442 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=205) 0 18.771427 -2.912358 -3.677330 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=205) 0 19.065422 -2.384100 -5.722699 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=205) 0 18.503980 -1.475988 -5.511517 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=205) 0 19.889780 -2.110684 -6.379827 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=205) 0 18.129091 -3.354145 -6.472417 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=205) 0 17.478606 -3.866286 -5.764109 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=205) 0 17.260368 -2.529706 -7.423461 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=205) 0 17.885988 -1.973045 -8.120603 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=205) 0 16.586571 -3.179802 -7.973813 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=205) 0 16.665772 -1.824492 -6.845752 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=205) 0 18.877352 -4.387973 -7.323941 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=205) 0 19.411864 -5.091846 -6.692335 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=205) 0 18.170915 -4.962297 -7.918450 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=205) 0 19.578657 -3.890659 -7.991718 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=205) 0 20.281382 -4.230153 -4.392828 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=205) 0 21.347517 -4.410192 -4.981165 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=206) 0 19.629358 -5.201832 -3.774260 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=206) 0 18.707091 -4.993299 -3.406719 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=206) 0 20.054629 -6.589582 -3.693447 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=206) 0 21.062029 -6.685384 -4.094349 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=206) 0 20.082215 -7.040049 -2.230249 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=206) 0 19.072859 -6.969035 -1.822296 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=206) 0 20.370342 -8.091476 -2.207114 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=206) 0 21.027474 -6.263934 -1.331563 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=206) 0 20.607762 -5.061358 -0.729595 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=206) 0 19.620713 -4.669078 -0.929914 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=206) 0 21.465945 -4.371835 0.143956 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=206) 0 21.138319 -3.451320 0.602199 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=206) 0 22.745795 -4.881509 0.422547 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=206) 0 23.401442 -4.358534 1.105427 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=206) 0 23.170695 -6.076111 -0.184334 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=206) 0 24.151491 -6.472111 0.035093 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=206) 0 22.315280 -6.765086 -1.062530 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=206) 0 22.642244 -7.690768 -1.515014 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=206) 0 19.121175 -7.474106 -4.520296 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=206) 0 17.943923 -7.163030 -4.706381 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=207) 0 19.652128 -8.586241 -5.018968 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=207) 0 20.640383 -8.754573 -4.860516 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=207) 0 18.890908 -9.631536 -5.709026 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=207) 0 17.957461 -9.786233 -5.165891 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=207) 0 18.560074 -9.190119 -7.147415 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=207) 0 18.069039 -10.013021 -7.668111 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=207) 0 17.858600 -8.355958 -7.112425 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=207) 0 19.800655 -8.751712 -7.935751 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=207) 0 20.185875 -7.815278 -7.528794 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=207) 0 20.567216 -9.516679 -7.851235 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=207) 0 19.464971 -8.556651 -9.410944 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=207) 0 19.147840 -9.510042 -9.825264 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=207) 0 18.669022 -7.820086 -9.514512 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=207) 0 20.713771 -8.080510 -10.142650 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=207) 0 21.058049 -7.146899 -9.691340 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=207) 0 21.512365 -8.816934 -10.013390 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=207) 0 20.462669 -7.861077 -11.578520 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=207) 0 19.738885 -7.166201 -11.724854 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=207) 0 21.306831 -7.496676 -12.009441 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=207) 0 20.283454 -8.729017 -12.084152 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=207) 0 19.637314 -10.962191 -5.680354 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=207) 0 20.831182 -10.998954 -5.380994 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=208) 0 18.958759 -12.057234 -6.014882 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=208) 0 17.966952 -11.934892 -6.205920 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=208) 0 19.510561 -13.426556 -5.940061 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=208) 0 20.355011 -13.409561 -5.247913 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=208) 0 18.466610 -14.367655 -5.317407 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=208) 0 17.589427 -14.433976 -5.964052 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=208) 0 18.900913 -15.361702 -5.217896 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=208) 0 18.051313 -13.860037 -3.925425 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=208) 0 18.940457 -13.623617 -3.339283 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=208) 0 17.462268 -12.949787 -4.034708 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=208) 0 17.226442 -14.896610 -3.165477 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=208) 0 16.402533 -15.239759 -3.793585 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=208) 0 17.861440 -15.744766 -2.906053 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=208) 0 16.667763 -14.259287 -1.894885 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=208) 0 17.489449 -13.854284 -1.298323 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=208) 0 16.015824 -13.434152 -2.183992 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=208) 0 15.904763 -15.246074 -1.108247 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=208) 0 16.537870 -15.886407 -0.635486 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=208) 0 15.343829 -14.790930 -0.397446 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=208) 0 15.269577 -15.771779 -1.708978 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=208) 0 20.126813 -13.936437 -7.254735 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=208) 0 20.267277 -15.143724 -7.454133 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=209) 0 20.477511 -13.020961 -8.156979 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=209) 0 20.394681 -12.050709 -7.900078 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=209) 0 21.008557 -13.295637 -9.494295 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=209) 0 21.645897 -14.179197 -9.440587 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=209) 0 19.841985 -13.604987 -10.454621 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=209) 0 20.239568 -13.756453 -11.458580 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=209) 0 19.397360 -14.554098 -10.153359 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=209) 0 18.728027 -12.570738 -10.513250 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=209) 0 18.684834 -11.629618 -11.559226 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=209) 0 19.448012 -11.634403 -12.324879 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=209) 0 17.634082 -10.696356 -11.627352 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=209) 0 17.599613 -9.991644 -12.444753 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=209) 0 16.628298 -10.692541 -10.642390 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=209) 0 15.810235 -9.988020 -10.694921 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=209) 0 16.662896 -11.635406 -9.602008 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=209) 0 15.875842 -11.651710 -8.859661 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=209) 0 17.702106 -12.579906 -9.546164 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=209) 0 17.698052 -13.328431 -8.767356 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=209) 0 21.891142 -12.137840 -9.998976 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=209) 0 21.881030 -11.044167 -9.433726 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=210) 0 22.654998 -12.383954 -11.066108 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=210) 0 22.590088 -13.305733 -11.475233 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=210) 0 23.708054 -11.508279 -11.612082 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=210) 0 24.230322 -12.069606 -12.386513 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=210) 0 23.098375 -10.279604 -12.317003 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=210) 0 22.706425 -9.597083 -11.564865 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=210) 0 23.887307 -9.758073 -12.860464 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=210) 0 21.986769 -10.631880 -13.310153 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=210) 0 21.004728 -9.851726 -13.379591 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=210) 0 22.107577 -11.674300 -14.001704 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=210) 0 24.778871 -11.188418 -10.550277 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=210) 0 25.122264 -12.064883 -9.750408 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=211) 0 25.324540 -9.969603 -10.503148 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=211) 0 25.055613 -9.292065 -11.206530 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=211) 0 26.253208 -9.537620 -9.439581 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=211) 0 27.103853 -10.220675 -9.435815 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=211) 0 26.807114 -8.133980 -9.754891 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=211) 0 27.681409 -7.972035 -9.123310 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=211) 0 27.147230 -8.110377 -10.789849 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=211) 0 25.841372 -6.960870 -9.515705 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=211) 0 25.584163 -6.933611 -8.458358 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=211) 0 26.356757 -6.029130 -9.755900 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=211) 0 24.562713 -7.052527 -10.348259 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=211) 0 24.644034 -6.941043 -11.594617 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=211) 0 23.478999 -7.283503 -9.766191 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=211) 0 25.627003 -9.593082 -8.028409 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=211) 0 26.333960 -9.718315 -7.025299 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=212) 0 24.294324 -9.527269 -7.942862 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=212) 0 23.782807 -9.385615 -8.807761 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=212) 0 23.505435 -9.695177 -6.721780 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=212) 0 22.505988 -10.015155 -7.001734 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=212) 0 23.949751 -10.485184 -6.117514 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=212) 0 23.389967 -8.448084 -5.842325 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=212) 0 22.592266 -8.441503 -4.899763 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=213) 0 24.163373 -7.391850 -6.117861 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=213) 0 24.784331 -7.460501 -6.915868 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=213) 0 24.233703 -6.175606 -5.297852 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=213) 0 23.247987 -5.983475 -4.875219 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=213) 0 25.214810 -6.434457 -4.143791 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=213) 0 24.909888 -7.347016 -3.628910 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=213) 0 26.216489 -6.585425 -4.546784 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=213) 0 25.219273 -5.303371 -3.112085 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=213) 0 24.250735 -4.812187 -3.145448 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=213) 0 25.330320 -5.730524 -2.114659 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=213) 0 26.334760 -4.271880 -3.335597 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=213) 0 26.555497 -4.165705 -4.398917 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=213) 0 25.975285 -3.312787 -2.970812 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=213) 0 27.554531 -4.660477 -2.606040 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=213) 0 27.842662 -5.632819 -2.692890 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=213) 0 28.229859 -3.917631 -1.750942 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=213) 0 28.017873 -2.639282 -1.599550 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=213) 0 27.364129 -2.156097 -2.211198 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=213) 0 28.473540 -2.154884 -0.834887 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=213) 0 29.141469 -4.445371 -0.988661 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=213) 0 29.319705 -5.448528 -0.996153 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=213) 0 29.639054 -3.840005 -0.357506 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=213) 0 24.645042 -4.960520 -6.130816 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=213) 0 25.663165 -4.986373 -6.807735 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=214) 0 23.859050 -3.891401 -6.054586 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=214) 0 23.049200 -3.950832 -5.448537 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=214) 0 23.935324 -2.722681 -6.929667 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=214) 0 24.867761 -2.736740 -7.499970 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=214) 0 22.742783 -2.771311 -7.905790 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=214) 0 21.813327 -2.830782 -7.344575 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=214) 0 22.720179 -1.854258 -8.494764 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=214) 0 22.818801 -3.945539 -8.859596 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=214) 0 23.309790 -3.822500 -9.969357 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=214) 0 22.351371 -5.105351 -8.465257 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=214) 0 22.634253 -5.915335 -9.025298 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=214) 0 21.982198 -5.208075 -7.538254 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=214) 0 23.899902 -1.444954 -6.085434 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=214) 0 22.937558 -1.228278 -5.350363 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=215) 0 24.923460 -0.599352 -6.182312 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=215) 0 25.661999 -0.796344 -6.852418 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=215) 0 25.045174 0.625652 -5.389632 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=215) 0 24.516260 0.511440 -4.440625 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=215) 0 26.530722 0.857497 -5.093195 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=215) 0 27.055914 0.878737 -6.046013 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=215) 0 26.648621 1.832464 -4.626507 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=215) 0 27.214944 -0.167654 -4.200022 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=215) 0 26.623313 -0.981199 -3.502021 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=215) 0 28.526201 -0.150357 -4.193606 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=215) 0 29.014831 -0.806741 -3.616844 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=215) 0 29.006929 0.517373 -4.779350 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=215) 0 24.440969 1.826868 -6.143521 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=215) 0 24.726134 2.027937 -7.326613 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=216) 0 23.626157 2.642102 -5.472883 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=216) 0 23.426991 2.428931 -4.500650 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=216) 0 22.864547 3.734149 -6.090022 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=216) 0 22.347164 3.330832 -6.960745 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=216) 0 21.799854 4.219946 -5.104880 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=216) 0 21.143740 3.379845 -4.878001 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=216) 0 22.284008 4.539379 -4.181122 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=216) 0 20.961990 5.361221 -5.635789 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=216) 0 19.825677 5.088085 -6.411758 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=216) 0 19.534975 4.066541 -6.574073 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=216) 0 19.073588 6.134425 -6.970168 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=216) 0 18.200627 5.917935 -7.565279 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=216) 0 19.464028 7.463309 -6.750548 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=216) 0 18.899391 8.280089 -7.172096 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=216) 0 20.600076 7.737203 -5.975889 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=216) 0 20.899397 8.758306 -5.814648 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=216) 0 21.349431 6.693276 -5.413620 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=216) 0 22.230889 6.919544 -4.830117 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=216) 0 23.730497 4.904250 -6.580021 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=216) 0 24.638591 5.363079 -5.883256 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=217) 0 23.394014 5.434162 -7.756083 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=217) 0 22.578481 5.065709 -8.229072 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=217) 0 24.184186 6.419605 -8.501174 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=217) 0 25.156718 6.546402 -8.025706 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=217) 0 24.420290 5.886088 -9.921835 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=217) 0 23.452884 5.677727 -10.374031 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=217) 0 24.910955 6.653962 -10.519507 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=217) 0 25.271197 4.609952 -9.961893 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=217) 0 26.323918 4.887929 -9.900992 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=217) 0 25.042412 3.978556 -9.104453 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=217) 0 25.012521 3.804017 -11.236556 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=217) 0 25.157549 4.373152 -12.342220 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=217) 0 24.676961 2.599593 -11.123742 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=217) 0 23.496769 7.793655 -8.568134 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=217) 0 22.332239 7.901884 -8.975810 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=218) 0 24.238043 8.847234 -8.224306 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=218) 0 25.158020 8.682489 -7.833984 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=218) 0 23.776471 10.233744 -8.299808 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=218) 0 24.635967 10.903680 -8.297552 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=218) 0 23.245544 10.372068 -9.239803 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=218) 0 22.853700 10.646253 -7.153471 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=218) 0 22.909421 10.088728 -6.057837 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=219) 0 22.008458 11.645195 -7.391979 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=219) 0 21.971392 12.033848 -8.328658 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=219) 0 21.135577 12.231260 -6.373239 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=219) 0 21.735123 12.396701 -5.478286 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=219) 0 20.649057 13.597835 -6.852875 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=219) 0 21.531383 14.199159 -7.066285 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=219) 0 20.072138 13.474535 -7.770332 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=219) 0 19.787115 14.331435 -5.817989 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=219) 0 18.758778 13.973038 -5.880283 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=219) 0 20.161658 14.104655 -4.817408 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=219) 0 19.827054 15.848326 -6.027481 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=219) 0 19.894137 16.318145 -7.191087 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=219) 0 19.868252 16.575684 -5.004451 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=219) 0 19.962442 11.318135 -6.001734 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=219) 0 19.200842 10.861863 -6.861286 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=220) 0 19.796426 11.067267 -4.701589 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=220) 0 20.444908 11.494795 -4.044766 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=220) 0 18.741856 10.189473 -4.181495 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=220) 0 18.680752 9.302562 -4.809533 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=220) 0 19.047337 9.724276 -2.746918 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=220) 0 19.007237 10.589809 -2.095000 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=220) 0 18.012170 8.696973 -2.278213 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=220) 0 18.082605 7.802904 -2.896574 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=220) 0 18.197899 8.434442 -1.239492 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=220) 0 17.004410 9.107451 -2.335673 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=220) 0 20.427942 9.074868 -2.594821 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=220) 0 21.209008 9.774025 -2.889286 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=220) 0 20.597940 8.805787 -1.553230 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=220) 0 20.494241 8.179700 -3.209192 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=220) 0 17.396348 10.909807 -4.237132 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=220) 0 17.105297 11.759004 -3.394630 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=221) 0 16.553424 10.542060 -5.199288 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=221) 0 16.870322 9.874347 -5.885764 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=221) 0 15.151106 10.979020 -5.280304 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=221) 0 14.891673 11.448083 -4.340100 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=221) 0 14.888037 12.033987 -6.371903 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=221) 0 14.025875 12.605912 -6.040934 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=221) 0 16.031756 13.017939 -6.606107 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=221) 0 16.902757 12.499850 -7.003049 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=221) 0 15.718085 13.777371 -7.322221 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=221) 0 16.296459 13.501453 -5.666236 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=221) 0 14.543972 11.458449 -7.610698 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=221) 0 13.672975 11.852328 -7.831735 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=221) 0 14.228719 9.777473 -5.455948 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=221) 0 14.683179 8.729811 -5.919450 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=222) 0 12.933509 9.909681 -5.136478 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=222) 0 12.624886 10.776427 -4.703626 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=222) 0 11.925822 8.877931 -5.434363 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=222) 0 12.150898 7.988606 -4.849588 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=222) 0 10.524488 9.385735 -5.045089 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=222) 0 10.501869 9.550135 -3.967524 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=222) 0 10.335387 10.339983 -5.541697 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=222) 0 9.412727 8.390988 -5.434937 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=222) 0 9.412667 8.258026 -6.516637 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=222) 0 9.603761 7.428093 -4.964260 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=222) 0 8.023741 8.889395 -5.026453 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=222) 0 7.948560 8.920254 -3.942235 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=222) 0 7.899168 9.894922 -5.420091 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=222) 0 6.926615 7.977023 -5.590323 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=222) 0 6.952731 8.033944 -6.682312 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=222) 0 7.148176 6.948176 -5.298872 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=222) 0 5.577031 8.356168 -5.101730 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=222) 0 5.375438 9.332929 -5.309351 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=222) 0 4.854571 7.770512 -5.523046 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=222) 0 5.497734 8.220700 -4.097254 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=222) 0 11.985032 8.469638 -6.906029 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=222) 0 12.043200 7.285004 -7.211941 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=223) 0 12.026038 9.445364 -7.807208 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=223) 0 12.048197 10.402936 -7.471132 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=223) 0 12.051904 9.223828 -9.253363 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=223) 0 11.190700 8.614180 -9.532157 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=223) 0 11.949367 10.564904 -10.000187 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=223) 0 12.861484 11.147154 -9.866436 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=223) 0 11.865971 10.335483 -11.060254 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=223) 0 10.725604 11.412653 -9.608229 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=223) 0 10.496270 12.069353 -10.446420 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=223) 0 9.865813 10.752580 -9.473957 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=223) 0 10.902105 12.285697 -8.351827 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=223) 0 11.982966 12.283620 -7.714071 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=223) 0 9.920065 12.973784 -7.971295 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=223) 0 13.310530 8.457957 -9.684135 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=223) 0 13.202798 7.414636 -10.332374 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=224) 0 14.490061 8.914431 -9.247454 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=224) 0 14.501969 9.766486 -8.695198 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=224) 0 15.769091 8.269421 -9.545808 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=224) 0 15.853932 8.134971 -10.626143 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=224) 0 16.915590 9.175051 -9.060463 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=224) 0 16.749985 9.452320 -8.019954 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=224) 0 17.848415 8.617656 -9.126327 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=224) 0 17.118319 10.433170 -9.882484 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=224) 0 16.677821 10.551400 -11.019744 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=224) 0 17.873025 11.373851 -9.365895 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=224) 0 18.035510 12.219069 -9.891763 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=224) 0 18.304083 11.233652 -8.455269 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=224) 0 15.887122 6.871600 -8.917783 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=224) 0 16.535835 6.002565 -9.493807 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=225) 0 15.268786 6.626998 -7.758064 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=225) 0 14.789880 7.396750 -7.300056 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=225) 0 15.238415 5.311855 -7.110054 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=225) 0 16.233582 4.880898 -7.147278 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=225) 0 14.817609 5.468539 -5.644274 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=225) 0 13.975079 6.158627 -5.593915 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=225) 0 14.478349 4.503622 -5.263901 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=225) 0 15.958412 5.969510 -4.747372 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=225) 0 16.465839 6.818596 -5.204855 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=225) 0 15.368507 6.393381 -3.408886 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=225) 0 14.781416 5.572607 -3.003822 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=225) 0 16.159075 6.648627 -2.708756 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=225) 0 14.725201 7.262620 -3.550489 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=225) 0 16.972832 4.858442 -4.469814 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=225) 0 17.330149 4.420465 -5.396870 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=225) 0 17.829921 5.281281 -3.949506 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=225) 0 16.513225 4.074544 -3.870451 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=225) 0 14.319575 4.327492 -7.831561 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=225) 0 14.697822 3.171720 -8.018619 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=226) 0 13.151529 4.785243 -8.284306 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=226) 0 12.888982 5.743288 -8.070876 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=226) 0 12.271797 3.996687 -9.143064 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=226) 0 12.049187 3.050626 -8.650175 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=226) 0 10.955754 4.767326 -9.363701 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=226) 0 11.208057 5.763763 -9.717019 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=226) 0 10.377983 4.269632 -10.143837 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=226) 0 10.063580 4.919420 -8.114192 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=226) 0 10.647420 5.286525 -7.275364 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=226) 0 8.932750 5.910277 -8.392523 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=226) 0 8.313457 5.545804 -9.214140 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=226) 0 8.315450 6.023440 -7.503691 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=226) 0 9.353674 6.878043 -8.663835 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=226) 0 9.432288 3.604171 -7.680600 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=226) 0 10.209838 2.893818 -7.409052 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=226) 0 8.799874 3.770231 -6.809997 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=226) 0 8.823626 3.203615 -8.491905 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=226) 0 12.986034 3.647901 -10.461244 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=226) 0 12.947001 2.494162 -10.878044 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=227) 0 13.710606 4.584338 -11.084268 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=227) 0 13.702992 5.530056 -10.712295 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=227) 0 14.539466 4.296523 -12.267931 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=227) 0 13.918248 3.819484 -13.025352 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=227) 0 15.094726 5.598646 -12.862699 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=227) 0 15.589292 6.177357 -12.081551 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=227) 0 15.839976 5.346126 -13.617191 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=227) 0 14.015892 6.444178 -13.535960 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=227) 0 13.247264 5.901013 -14.366311 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=227) 0 13.928464 7.660354 -13.254615 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=227) 0 15.683384 3.312924 -11.961908 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=227) 0 15.861054 2.323628 -12.666935 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=228) 0 16.425424 3.510581 -10.873384 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=228) 0 16.270592 4.359220 -10.338107 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=228) 0 17.471549 2.588446 -10.414123 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=228) 0 18.263220 2.549759 -11.162629 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=228) 0 18.049195 3.169487 -9.121486 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=228) 0 18.694913 4.007528 -9.383240 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=228) 0 17.230093 3.578169 -8.537424 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=228) 0 18.815877 2.230284 -8.214797 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=228) 0 20.141288 1.866807 -8.516876 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=228) 0 20.594634 2.176969 -9.448077 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=228) 0 20.893044 1.127131 -7.587519 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=228) 0 21.912428 0.849433 -7.815798 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=228) 0 20.334881 0.784753 -6.344785 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=228) 0 20.930562 0.258768 -5.615740 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=228) 0 19.005401 1.128935 -6.048884 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=228) 0 18.576183 0.862443 -5.093456 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=228) 0 18.238443 1.831181 -6.992630 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=228) 0 17.220763 2.110963 -6.755406 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=228) 0 16.956664 1.151626 -10.225484 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=228) 0 17.664539 0.205013 -10.569607 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=229) 0 15.713397 0.980947 -9.766826 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=229) 0 15.208469 1.810459 -9.467654 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=229) 0 15.017963 -0.312233 -9.702216 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=229) 0 15.679568 -1.036381 -9.227682 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=229) 0 13.761682 -0.156275 -8.808212 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=229) 0 13.241720 0.751631 -9.107897 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=229) 0 12.752490 -1.313832 -8.911813 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=229) 0 13.150110 -2.198029 -8.422773 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=229) 0 11.826183 -1.039796 -8.407829 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=229) 0 12.515465 -1.544783 -9.949220 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=229) 0 14.215189 -0.000359 -7.337254 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=229) 0 14.554476 -0.963078 -6.956237 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=229) 0 15.056397 0.688796 -7.276512 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=229) 0 13.127625 0.533101 -6.405161 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=229) 0 12.350485 -0.217414 -6.264093 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=229) 0 13.581130 0.760937 -5.440967 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=229) 0 12.693217 1.445358 -6.815022 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=229) 0 14.737408 -0.844008 -11.120020 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=229) 0 15.155976 -1.962983 -11.440037 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=230) 0 14.119005 -0.042968 -12.001820 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=230) 0 13.848284 0.886683 -11.688956 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=230) 0 13.861518 -0.403500 -13.415920 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=230) 0 13.156057 -1.235175 -13.459302 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=230) 0 13.257201 0.794659 -14.173275 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=230) 0 13.941269 1.637187 -14.093386 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=230) 0 13.183630 0.540520 -15.231786 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=230) 0 11.860761 1.221478 -13.688684 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=230) 0 11.138237 0.473582 -13.994161 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=230) 0 11.835444 1.263225 -12.605535 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=230) 0 11.448856 2.578722 -14.282181 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=230) 0 12.331712 3.086858 -14.665871 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=230) 0 10.761392 2.407966 -15.110706 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=230) 0 10.780805 3.496877 -13.254570 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=230) 0 9.777494 3.121997 -13.027808 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=230) 0 11.369885 3.476575 -12.337213 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=230) 0 10.711707 4.887408 -13.760590 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=230) 0 10.091878 4.953683 -14.564190 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=230) 0 10.404005 5.537844 -13.040876 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=230) 0 11.630732 5.223056 -14.050064 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=230) 0 15.128520 -0.857436 -14.155393 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=230) 0 15.044384 -1.740623 -15.006389 L N-N--0.415700(PDBName=N,ResName=HID,ResNum=231) 0 16.291860 -0.300807 -13.815871 L H-H-0.271900(PDBName=H,ResName=HID,ResNum=231) 0 16.244376 0.492417 -13.185455 L C-CT-0.018800(PDBName=CA,ResName=HID,ResNum=231) 0 17.568364 -0.558177 -14.492860 L H-H1-0.088100(PDBName=HA,ResName=HID,ResNum=231) 0 17.353369 -1.021582 -15.456696 L C-CT--0.046200(PDBName=CB,ResName=HID,ResNum=231) 0 18.244420 0.791972 -14.805477 L H-HC-0.040200(PDBName=HB2,ResName=HID,ResNum=231) 0 18.495650 1.290957 -13.868281 L H-HC-0.040200(PDBName=HB3,ResName=HID,ResNum=231) 0 19.170770 0.610177 -15.351282 L C-CC--0.026600(PDBName=CG,ResName=HID,ResNum=231) 0 17.390576 1.715147 -15.647854 L N-NA--0.381100(PDBName=ND1,ResName=HID,ResNum=231) 0 16.879785 1.438187 -16.894190 L H-H-0.364900(PDBName=HD1,ResName=HID,ResNum=231) 0 17.099584 0.624322 -17.464907 L C-CR-0.205700(PDBName=CE1,ResName=HID,ResNum=231) 0 16.136001 2.482724 -17.288697 L H-H5-0.139200(PDBName=HE1,ResName=HID,ResNum=231) 0 15.618038 2.546662 -18.237713 L N-NB--0.572700(PDBName=NE2,ResName=HID,ResNum=231) 0 16.145795 3.450606 -16.353197 L C-CV-0.129200(PDBName=CD2,ResName=HID,ResNum=231) 0 16.962341 2.973406 -15.318745 L H-H4-0.114700(PDBName=HD2,ResName=HID,ResNum=231) 0 17.206374 3.502207 -14.409185 L C-C-0.597300(PDBName=C,ResName=HID,ResNum=231) 0 18.509399 -1.551870 -13.769106 L O-O--0.567900(PDBName=O,ResName=HID,ResNum=231) 0 19.640254 -1.734515 -14.229873 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=232) 0 18.104043 -2.197610 -12.657626 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=232) 0 17.181851 -1.989266 -12.295925 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=232) 0 18.977465 -3.143712 -11.923731 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=232) 0 19.730588 -3.520991 -12.619441 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=232) 0 19.735561 -2.392012 -10.808262 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=232) 0 19.028782 -1.899443 -10.145627 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=232) 0 20.294548 -3.116975 -10.218597 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=232) 0 20.744847 -1.377696 -11.328671 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=232) 0 21.853186 -1.718357 -11.713051 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=232) 0 20.411905 -0.113078 -11.373563 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=232) 0 21.122004 0.536713 -11.695394 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=232) 0 19.485592 0.162279 -11.068531 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=232) 0 18.313337 -4.428967 -11.362406 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=232) 0 19.001346 -5.450025 -11.279510 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=233) 0 17.023336 -4.443826 -10.988038 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=233) 0 16.473934 -3.603150 -11.114141 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=233) 0 16.317144 -5.703837 -10.637793 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=233) 0 17.061405 -6.424151 -10.303075 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=233) 0 15.394430 -5.533108 -9.420674 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=233) 0 14.892995 -6.478056 -9.239351 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=233) 0 16.037767 -5.356947 -8.561979 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=233) 0 14.338365 -4.423743 -9.419914 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=233) 0 13.953223 -4.326712 -8.407227 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=233) 0 14.809469 -3.479011 -9.652805 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=233) 0 13.146406 -4.682510 -10.333144 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=233) 0 12.194602 -5.349058 -9.943772 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=233) 0 13.163625 -4.165549 -11.541833 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=233) 0 13.931525 -3.579627 -11.841448 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=233) 0 12.385108 -4.325941 -12.170233 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=233) 0 15.682501 -6.379094 -11.868231 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=233) 0 16.050936 -6.021096 -12.977847 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=234) 0 14.821293 -7.394648 -11.721314 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=234) 0 14.560097 -7.702460 -10.795502 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=234) 0 14.099661 -8.020225 -12.844070 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=234) 0 13.821630 -7.232072 -13.543102 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=234) 0 15.034269 -9.027773 -13.554731 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=234) 0 16.025892 -8.592225 -13.675610 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=234) 0 15.129154 -9.901895 -12.911849 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=234) 0 14.552522 -9.505606 -14.937180 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=234) 0 13.498871 -9.752818 -14.893420 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=234) 0 14.757926 -8.447440 -16.021564 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=234) 0 15.819234 -8.266805 -16.176400 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=234) 0 14.317487 -8.797691 -16.955129 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=234) 0 14.273517 -7.513119 -15.741722 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=234) 0 15.327239 -10.756459 -15.353207 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=234) 0 15.133924 -11.555011 -14.635437 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=234) 0 14.982577 -11.089947 -16.332097 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=234) 0 16.396231 -10.551423 -15.389448 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=234) 0 12.830161 -8.749986 -12.342145 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=234) 0 12.917857 -9.421755 -11.310783 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=235) 0 11.682055 -8.662844 -13.043167 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=235) 0 11.390049 -7.718381 -14.116627 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=235) 0 12.113162 -7.793453 -14.927350 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=235) 0 11.379396 -6.704564 -13.713444 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=235) 0 9.997860 -8.079723 -14.635690 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=235) 0 10.085466 -8.795549 -15.454731 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=235) 0 9.441415 -7.199725 -14.956197 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=235) 0 9.348540 -8.753928 -13.428871 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=235) 0 8.519858 -9.401650 -13.719012 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=235) 0 9.011670 -8.000922 -12.723384 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=235) 0 10.515001 -9.517901 -12.805585 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=235) 0 10.340264 -9.639468 -11.736343 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=235) 0 10.652803 -10.908413 -13.448268 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=235) 0 11.523419 -11.134222 -14.285773 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=236) 0 9.750907 -11.825667 -13.089235 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=236) 0 9.015502 -11.549634 -12.455880 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=236) 0 9.587392 -13.142382 -13.717055 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=236) 0 10.219593 -13.210191 -14.603185 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=236) 0 9.978062 -14.271728 -12.738999 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=236) 0 9.395984 -14.162300 -11.822869 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=236) 0 9.663419 -15.212680 -13.193301 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=236) 0 11.462687 -14.451216 -12.360572 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=236) 0 11.526733 -15.413808 -11.857549 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=236) 0 12.391585 -14.525520 -13.572637 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=236) 0 12.446000 -13.558111 -14.070034 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=236) 0 13.390928 -14.811367 -13.244960 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=236) 0 12.020395 -15.273729 -14.272619 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=236) 0 11.997039 -13.402494 -11.379440 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=236) 0 11.324657 -13.322077 -10.526293 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=236) 0 12.982257 -13.704220 -11.026764 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=236) 0 12.100092 -12.435993 -11.864430 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=236) 0 8.133660 -13.317564 -14.192986 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=236) 0 7.223014 -12.715715 -13.618138 L N-N--0.382100(PDBName=N,ResName=VAL,ResNum=237) 0 7.933304 -14.138406 -15.230191 L H-H-0.268100(PDBName=H,ResName=VAL,ResNum=237) 0 8.723935 -14.632490 -15.625836 L C-CT--0.343800(PDBName=CA,ResName=VAL,ResNum=237) 0 6.639812 -14.508654 -15.839348 L H-H1-0.143800(PDBName=HA,ResName=VAL,ResNum=237) 0 5.900022 -14.630388 -15.051909 L C-CT-0.194000(PDBName=CB,ResName=VAL,ResNum=237) 0 6.159663 -13.397697 -16.793313 L H-HC-0.030800(PDBName=HB,ResName=VAL,ResNum=237) 0 6.154056 -12.461652 -16.231590 L C-CT--0.306400(PDBName=CG1,ResName=VAL,ResNum=237) 0 7.070541 -13.200992 -18.012119 L H-HC-0.083600(PDBName=HG11,ResName=VAL,ResNum=237) 0 6.709675 -12.369048 -18.614429 L H-HC-0.083600(PDBName=HG12,ResName=VAL,ResNum=237) 0 8.086345 -12.987157 -17.682342 L H-HC-0.083600(PDBName=HG13,ResName=VAL,ResNum=237) 0 7.082536 -14.108583 -18.616783 L C-CT--0.306400(PDBName=CG2,ResName=VAL,ResNum=237) 0 4.724371 -13.639964 -17.269399 L H-HC-0.083600(PDBName=HG21,ResName=VAL,ResNum=237) 0 4.075911 -13.780456 -16.405099 L H-HC-0.083600(PDBName=HG22,ResName=VAL,ResNum=237) 0 4.375496 -12.785745 -17.847157 L H-HC-0.083600(PDBName=HG23,ResName=VAL,ResNum=237) 0 4.684017 -14.537578 -17.887638 L C-C-0.835000(PDBName=C,ResName=VAL,ResNum=237) 0 6.747859 -15.874441 -16.521809 L O-O2--0.817300(PDBName=O,ResName=VAL,ResNum=237) 0 5.720016 -16.583151 -16.546577 L O-O2--0.817300(PDBName=OXT,ResName=VAL,ResNum=237) 0 7.874055 -16.198157 -16.963848 L C-C-1.004947(PDBName=C18,ResName=GDS,ResNum=238) 0 -24.750918 -15.858606 -11.267212 L H-H1 94 0.0000 O-O2--0.856478(PDBName=O5,ResName=GDS,ResNum=238) 0 -24.302755 -14.939739 -11.978815 L O-O2--0.856478(PDBName=O6,ResName=GDS,ResNum=238) 0 -25.355696 -15.763836 -10.183189 L C-CT-0.021774(PDBName=C10,ResName=GDS,ResNum=238) 0 -24.444066 -20.880195 -5.839798 L H-HC 101 0.0000 C-CT-0.090430(PDBName=C6,ResName=GDS,ResNum=238) 0 -25.089098 -22.177728 -5.352670 L C-C-0.795436(PDBName=C20,ResName=GDS,ResNum=238) 0 -24.198886 -22.885678 -4.302833 L O-O2--0.768529(PDBName=O7,ResName=GDS,ResNum=238) 0 -24.614452 -22.999139 -3.130984 L O-O2--0.768529(PDBName=O8,ResName=GDS,ResNum=238) 0 -23.107034 -23.396856 -4.651801 L N-N3--0.516764(PDBName=N6,ResName=GDS,ResNum=238) 0 -26.467674 -21.856980 -4.881463 L H-H-0.336685(PDBName=H23,ResName=GDS,ResNum=238) 0 -26.946633 -22.674468 -4.515410 L H-H-0.336685(PDBName=H24,ResName=GDS,ResNum=238) 0 -26.450047 -21.161817 -4.137240 L H-H-0.336685(PDBName=H26,ResName=GDS,ResNum=238) 0 -27.020030 -21.477145 -5.647221 L H-HP-0.075961(PDBName=H8,ResName=GDS,ResNum=238) 0 -25.167336 -22.853226 -6.204539 L H-HC-0.040870(PDBName=H15,ResName=GDS,ResNum=238) 0 -25.163127 -20.364364 -6.477513 L H-HC-0.040870(PDBName=H16,ResName=GDS,ResNum=238) 0 -24.275486 -20.255352 -4.970272 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=239) -1 -7.708510 -11.086230 -4.919491 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=239) -1 -7.283486 -10.414857 -5.527635 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=239) -1 -7.123299 -10.956976 -4.142372 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=240) -1 -6.215382 5.344343 9.648854 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=240) -1 -5.391007 5.735672 9.281168 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=240) -1 -5.982384 4.388103 9.574759 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=242) -1 17.166235 -10.476507 -2.565148 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=242) -1 16.250793 -10.801283 -2.700324 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=242) -1 17.200491 -10.489232 -1.584009 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=243) -1 -3.675315 4.628828 1.969461 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=243) -1 -4.068896 5.506466 2.189492 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=243) -1 -4.145694 4.075988 2.626488 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=244) -1 31.503602 -1.610204 14.986271 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=244) -1 30.623912 -1.732955 14.557261 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=244) -1 31.999108 -1.200597 14.246417 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=245) -1 -1.409510 3.809257 15.155681 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=245) -1 -1.393701 3.469335 14.222621 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=245) -1 -1.074615 3.004944 15.608492 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=246) -1 -11.279215 -21.030713 -0.513040 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=246) -1 -11.188589 -20.282990 0.114369 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=246) -1 -11.859214 -20.623622 -1.195482 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=248) -1 -12.777647 -22.768075 -3.056531 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=248) -1 -11.812904 -22.957099 -3.071692 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=248) -1 -12.748857 -21.810304 -2.808637 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=250) -1 -9.320435 -13.299120 -4.550509 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=250) -1 -8.759728 -12.519072 -4.744381 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=250) -1 -10.211156 -12.922158 -4.630917 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=251) -1 -15.489859 -11.574495 -11.603926 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=251) -1 -15.767294 -12.398721 -12.108124 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=251) -1 -16.181971 -11.587654 -10.918050 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=253) -1 -9.426660 -20.128751 -2.315815 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=253) -1 -9.221089 -19.292926 -1.838691 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=253) -1 -9.948801 -20.591190 -1.621995 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=255) -1 -14.269358 -9.819770 -13.133865 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=255) -1 -13.349689 -9.945677 -12.802292 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=255) -1 -14.716655 -10.515970 -12.570719 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=257) -1 -24.913946 -14.413094 -14.397339 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=257) -1 -24.255652 -13.676122 -14.516760 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=257) -1 -24.680377 -14.636932 -13.448296 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=258) -1 -14.554740 -24.721623 -2.994526 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=258) -1 -13.928899 -23.954201 -3.079691 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=258) -1 -15.237686 -24.427758 -3.647972 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=259) -1 -21.632796 -15.199689 -11.998199 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=259) -1 -22.598652 -15.027745 -12.044386 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=259) -1 -21.303839 -14.570606 -12.666003 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=260) -1 -22.885346 -23.905042 -1.401401 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=260) -1 -22.603340 -24.704678 -1.906158 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=260) -1 -23.551409 -23.553440 -2.056995 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=261) -1 -21.176274 -11.461237 -12.444697 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=261) -1 -20.329629 -11.076181 -12.129226 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=261) -1 -20.838273 -12.263087 -12.897820 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=262) -1 -25.703066 -13.119982 -10.831184 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=262) -1 -25.177486 -13.724597 -11.425857 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=262) -1 -25.552177 -13.598418 -9.985437 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=263) -1 -27.537597 -14.928235 -14.474918 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=263) -1 -26.564791 -14.735407 -14.426447 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=263) -1 -27.865247 -14.057936 -14.751892 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=264) -1 -17.995180 -12.569430 -14.477880 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=264) -1 -17.614911 -11.654799 -14.489967 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=264) -1 -17.367552 -12.972178 -13.813916 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=266) -1 -28.438685 -13.519378 -10.682708 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=266) -1 -27.548352 -13.144573 -10.874622 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=266) -1 -28.196683 -14.472450 -10.613840 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=267) -1 -29.556689 -16.078957 -8.465186 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=267) -1 -30.339355 -15.797762 -8.999417 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=267) -1 -28.877661 -16.052444 -9.188094 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=269) -1 -19.040183 -16.761854 6.794020 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=269) -1 -19.610388 -17.503431 6.551196 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=269) -1 -19.218884 -16.127431 6.074680 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=270) -1 7.603106 -2.918648 -12.487165 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=270) -1 8.027464 -3.011043 -11.603735 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=270) -1 7.635825 -3.859404 -12.779072 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=271) -1 -20.022075 -18.732409 3.045794 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=271) -1 -20.990290 -18.651996 2.976642 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=271) -1 -19.752063 -18.544260 2.122703 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=272) -1 30.225617 11.874515 -2.480045 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=272) -1 29.936188 12.270053 -3.341533 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=272) -1 29.351812 11.870096 -2.021684 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=273) -1 -16.240875 -16.689186 -16.845650 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=273) -1 -16.011332 -16.517349 -17.772202 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=273) -1 -16.718905 -15.841135 -16.633601 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=274) -1 25.214106 -4.579637 -12.760373 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=274) -1 25.149383 -5.402815 -12.222110 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=274) -1 24.273496 -4.312870 -12.774612 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=275) -1 -13.181350 27.097857 2.580754 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=275) -1 -12.417298 26.499350 2.429609 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=275) -1 -13.169531 27.138501 3.564013 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=276) -1 20.208744 -16.469939 -0.291699 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=276) -1 19.301035 -16.283111 0.079953 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=276) -1 20.742809 -16.186479 0.476708 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=277) -1 0.309600 -14.845538 -9.750260 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=277) -1 0.406531 -15.008189 -8.774359 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=277) -1 1.126969 -14.352818 -9.917054 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=278) -1 -27.612147 -10.282443 -8.501947 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=278) -1 -26.881990 -10.270081 -9.155053 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=278) -1 -27.676730 -9.319260 -8.300736 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=279) -1 25.575073 -9.791669 -16.707761 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=279) -1 24.862229 -9.112332 -16.648316 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=279) -1 25.054117 -10.584009 -16.418206 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=280) -1 19.768553 8.125080 -14.927064 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=280) -1 19.833913 9.118667 -14.947512 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=280) -1 19.965672 7.927416 -15.855844 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=281) -1 2.091106 -1.371288 -8.239321 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=281) -1 3.020638 -1.142665 -7.988208 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=281) -1 1.679395 -0.477982 -8.124935 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=282) -1 -21.044952 -3.282287 -17.677081 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=282) -1 -21.687257 -3.721852 -17.056732 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=282) -1 -21.361909 -3.632065 -18.521974 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=283) -1 -23.689463 23.118996 -4.776369 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=283) -1 -23.274982 23.084842 -5.663852 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=283) -1 -24.623233 22.929789 -5.013408 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=284) -1 -7.586938 -18.646559 11.422496 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=284) -1 -8.575141 -18.711149 11.372472 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=284) -1 -7.506710 -17.707979 11.713521 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=285) -1 -23.373747 21.624091 9.999945 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=285) -1 -23.130251 20.964710 9.307151 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=285) -1 -24.039164 21.129193 10.495160 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=286) -1 1.944540 8.659252 7.623164 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=286) -1 2.137780 8.191314 8.450297 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=286) -1 2.462977 8.108089 6.986172 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=287) -1 21.839921 12.573620 -2.967580 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=287) -1 22.014301 12.185154 -2.074276 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=287) -1 21.688088 13.510523 -2.699239 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=288) -1 -13.737396 23.999738 -16.184826 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=288) -1 -13.229675 23.504067 -16.842898 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=288) -1 -14.616691 24.053214 -16.629342 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=289) -1 -15.222709 17.113837 2.470881 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=289) -1 -15.990897 16.698134 2.935984 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=289) -1 -14.672023 17.347822 3.255460 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=291) -1 10.065951 19.502333 16.497890 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=291) -1 10.761611 19.312847 15.823687 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=291) -1 9.662002 18.631570 16.588283 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=292) -1 26.787100 1.440709 -9.880330 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=292) -1 27.471551 2.121425 -10.052688 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=292) -1 26.058618 1.779187 -10.448403 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=293) -1 -13.586340 7.135353 -12.301492 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=293) -1 -13.045576 6.537325 -12.868524 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=293) -1 -13.007573 7.161436 -11.500034 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=294) -1 -21.406563 -6.593382 15.694954 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=294) -1 -21.401511 -6.674373 14.708888 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=294) -1 -20.565658 -7.068118 15.891773 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=295) -1 -10.840314 15.155264 -6.524375 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=295) -1 -11.466037 14.759859 -7.185840 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=295) -1 -10.309480 14.340216 -6.330131 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=296) -1 -21.694414 2.285282 -11.449489 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=296) -1 -20.908151 2.493920 -12.014156 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=296) -1 -21.241740 1.839666 -10.699574 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=297) -1 -13.780875 8.988351 13.256133 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=297) -1 -14.406479 8.230192 13.331236 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=297) -1 -12.927367 8.494519 13.259619 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=298) -1 35.130833 -0.359660 11.389250 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=298) -1 35.071302 -0.463851 10.397742 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=298) -1 35.941143 -0.866883 11.553437 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=299) -1 19.303278 13.486784 -11.114418 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=299) -1 19.161063 14.181583 -11.776369 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=299) -1 19.207693 12.681258 -11.678737 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=301) -1 26.189623 -7.901869 -13.476305 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=301) -1 25.631556 -7.539215 -12.739634 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=301) -1 25.905080 -7.283222 -14.192151 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=302) -1 -10.174995 4.129640 15.200533 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=302) -1 -9.458777 3.922678 14.550134 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=302) -1 -10.831283 4.531625 14.579011 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=303) -1 18.544080 3.129898 -22.764281 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=303) -1 18.736672 2.601140 -21.968833 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=303) -1 17.604665 3.354596 -22.613090 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=304) -1 -21.026996 13.121782 12.643760 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=304) -1 -21.428847 13.287227 11.747885 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=304) -1 -21.769583 13.379920 13.209280 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=305) -1 -18.976885 1.358742 10.580275 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=305) -1 -19.720124 1.978871 10.491919 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=305) -1 -18.228667 1.978777 10.696729 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=306) -1 7.354199 -3.535633 5.120526 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=306) -1 8.217366 -3.578640 4.657533 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=306) -1 6.765550 -3.389307 4.341245 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=307) -1 4.926100 -10.506165 10.898012 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=307) -1 4.386807 -9.680107 10.896676 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=307) -1 5.747645 -10.140985 10.472079 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=308) -1 12.530297 13.711833 -11.543868 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=308) -1 12.558169 13.007680 -12.231752 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=308) -1 13.464488 13.775306 -11.306359 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=309) -1 -10.294873 19.297470 -11.261246 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=309) -1 -10.411260 18.826568 -12.121949 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=309) -1 -10.253049 18.512096 -10.661311 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=310) -1 -10.557031 -1.052406 11.130042 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=310) -1 -10.925285 -1.685659 11.777999 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=310) -1 -9.794003 -0.702014 11.642562 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=311) -1 23.869214 15.428439 -6.603952 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=311) -1 23.509720 16.267669 -6.989934 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=311) -1 23.438118 15.503203 -5.707885 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=312) -1 -11.829945 14.431106 -0.481904 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=312) -1 -12.533378 15.010133 -0.087547 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=312) -1 -12.401845 13.643180 -0.680368 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=313) -1 0.364240 -3.730603 14.600897 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=313) -1 0.527706 -4.303268 15.385020 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=313) -1 1.261562 -3.341008 14.493310 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=314) -1 -26.163052 -7.829784 -10.475434 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=314) -1 -26.660205 -7.759729 -9.634409 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=314) -1 -25.904267 -8.773723 -10.451254 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=315) -1 -19.363208 14.443534 -2.637735 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=315) -1 -19.591035 13.551912 -3.006771 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=315) -1 -18.979468 14.843641 -3.455886 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=316) -1 19.640245 -18.766894 -1.594717 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=316) -1 19.873556 -17.937314 -1.112989 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=316) -1 20.311766 -19.371412 -1.250099 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=317) -1 -21.921329 -16.780078 5.454770 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=317) -1 -21.214496 -16.162651 5.184557 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=317) -1 -22.231573 -16.375098 6.276271 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=318) -1 -13.622162 5.207613 11.377202 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=318) -1 -13.325268 6.025936 10.905723 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=318) -1 -14.263454 4.864666 10.696740 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=319) -1 29.215527 13.000999 -4.801237 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=319) -1 30.062781 13.027030 -5.314386 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=319) -1 28.612058 12.700169 -5.521711 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=320) -1 -18.368975 26.271165 2.988395 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=320) -1 -18.261925 25.310641 2.840858 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=320) -1 -17.464862 26.517374 3.272951 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=321) -1 -20.266385 29.140352 -3.551413 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=321) -1 -20.041019 29.390846 -4.477192 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=321) -1 -20.493171 30.002727 -3.178491 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=322) -1 23.770087 6.348848 -13.263999 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=322) -1 24.356385 5.586734 -12.983852 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=322) -1 22.903654 5.949012 -13.014754 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=323) -1 25.121480 -14.006858 -14.145363 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=323) -1 24.184277 -14.101886 -13.838646 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=323) -1 25.334850 -14.931974 -14.336630 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=324) -1 15.877671 9.368292 -13.458822 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=324) -1 15.979426 9.775553 -12.578815 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=324) -1 15.127907 8.745551 -13.277665 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=325) -1 -27.895799 -14.969817 -1.124727 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=325) -1 -27.677032 -14.069473 -0.775948 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=325) -1 -28.883952 -14.886498 -1.142809 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=326) -1 12.334364 14.451087 -6.229079 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=326) -1 11.380145 14.480049 -5.959903 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=326) -1 12.281927 13.652674 -6.824195 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=327) -1 -25.854075 2.148413 -3.910193 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=327) -1 -26.388680 1.434532 -3.494419 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=327) -1 -26.400680 2.324941 -4.705823 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=328) -1 14.768622 15.924709 -5.693314 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=328) -1 15.228414 15.598115 -4.889507 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=328) -1 14.093886 15.230958 -5.814148 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=329) -1 3.000200 -2.848058 -4.247468 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=329) -1 3.821455 -2.922548 -4.805548 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=329) -1 3.083039 -1.890822 -4.007636 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=330) -1 11.823121 16.954137 -7.316429 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=330) -1 12.198938 16.151092 -6.902547 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=330) -1 12.303738 17.648629 -6.815392 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=331) -1 -6.649660 11.430291 16.598001 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=331) -1 -7.013444 10.698345 16.044557 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=331) -1 -5.897473 10.987301 17.011578 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=332) -1 -1.545433 -16.169626 -4.290054 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=332) -1 -2.485892 -16.442450 -4.340707 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=332) -1 -1.188225 -16.673134 -5.060612 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=333) -1 0.666599 -10.642273 14.147906 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=333) -1 0.747835 -11.620626 14.152292 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=333) -1 1.581657 -10.378267 13.982429 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=334) -1 -24.121858 7.669553 5.330059 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=334) -1 -24.202815 6.911674 5.932813 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=334) -1 -23.225759 7.472706 4.939967 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=335) -1 3.174261 6.172036 -2.204460 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=335) -1 4.060442 6.590016 -2.347409 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=335) -1 3.466112 5.241596 -2.067951 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=336) -1 31.788292 10.804916 2.707995 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=336) -1 30.990458 11.190365 3.088673 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=336) -1 31.679935 11.021967 1.759235 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=337) -1 -15.286504 32.342332 -2.047286 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=337) -1 -15.146937 33.174293 -1.573650 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=337) -1 -15.455901 31.731936 -1.286402 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=338) -1 7.528977 11.651618 -7.624310 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=338) -1 8.425339 12.045991 -7.522798 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=338) -1 7.285709 12.032323 -8.496046 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=339) -1 9.112637 -1.004197 -13.660922 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=339) -1 9.457045 -0.808018 -12.757041 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=339) -1 8.500926 -1.746907 -13.432970 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=340) -1 14.122798 18.344251 -2.867145 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=340) -1 15.007436 18.038570 -2.576448 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=340) -1 13.560219 17.655608 -2.433343 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=341) -1 9.702498 14.320745 -5.702086 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=341) -1 9.702428 13.755127 -6.515229 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=341) -1 8.731625 14.463008 -5.612464 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=342) -1 -24.421565 14.205015 2.685990 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=342) -1 -24.714339 13.433164 3.227462 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=342) -1 -23.868736 13.717388 2.018660 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=343) -1 -2.504670 -5.126722 19.146486 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=343) -1 -3.265246 -5.484142 19.646752 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=343) -1 -2.501504 -4.202687 19.475187 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=344) -1 -8.805620 20.949447 4.761574 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=344) -1 -9.474185 20.283830 4.461584 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=344) -1 -9.068342 21.012038 5.710070 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=345) -1 -12.452312 -26.416551 -3.370825 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=345) -1 -13.249916 -25.832994 -3.345335 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=345) -1 -12.798279 -27.165655 -2.829068 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=346) -1 -10.892865 -16.316969 17.307153 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=346) -1 -10.609271 -16.370032 16.350861 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=346) -1 -11.610038 -16.995554 17.271006 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=347) -1 27.430951 7.625709 -8.279914 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=347) -1 27.578084 8.581101 -8.123748 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=347) -1 27.435873 7.606306 -9.258701 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=348) -1 -15.765201 -21.493076 2.846710 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=348) -1 -15.300439 -21.405670 3.706689 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=348) -1 -16.668783 -21.220295 3.109933 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=349) -1 15.842926 1.377466 -20.518467 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=349) -1 15.656207 2.128923 -21.112858 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=349) -1 14.952180 1.168739 -20.183344 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=350) -1 20.079549 1.976374 14.279858 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=350) -1 20.584219 2.817327 14.379684 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=350) -1 20.588125 1.406365 14.900536 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=351) -1 25.149147 -14.833450 -9.525810 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=351) -1 24.440149 -15.248474 -10.069823 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=351) -1 25.030913 -13.897599 -9.775715 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=352) -1 -12.260996 3.346528 20.740815 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=352) -1 -11.449727 2.789490 20.697957 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=352) -1 -11.933639 4.108398 21.239566 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=353) -1 3.824502 -13.620884 -3.264555 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=353) -1 4.642346 -13.277905 -2.834746 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=353) -1 3.176639 -13.438120 -2.547355 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=354) -1 -11.890519 3.693122 -15.860064 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=354) -1 -12.278127 3.592004 -16.741597 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=354) -1 -11.705033 2.751417 -15.633386 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=355) -1 -20.972886 -6.830230 13.008799 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=355) -1 -19.994263 -6.737597 13.098629 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=355) -1 -21.119808 -6.131665 12.310185 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=356) -1 -26.358868 -28.784194 -5.210585 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=356) -1 -26.554153 -28.546036 -4.284403 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=356) -1 -25.533763 -28.278338 -5.352369 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=357) -1 -11.850054 -25.602232 0.214078 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=357) -1 -12.808677 -25.633985 -0.008695 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=357) -1 -11.789107 -26.310222 0.870304 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=358) -1 -9.321252 -6.801489 20.111498 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=358) -1 -8.579398 -7.379796 20.385074 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=358) -1 -9.198033 -6.057900 20.746188 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=359) -1 -8.187919 16.311240 -0.928470 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=359) -1 -8.334888 15.727408 -0.147790 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=359) -1 -8.776311 15.848433 -1.573981 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=360) -1 -13.021854 29.479945 -6.879462 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=360) -1 -12.778432 28.702268 -7.444032 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=360) -1 -12.315110 29.361579 -6.186016 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=361) -1 -4.355877 -16.539625 -4.797218 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=361) -1 -4.351465 -15.744819 -4.212578 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=361) -1 -5.157105 -16.991361 -4.430005 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=362) -1 12.610363 15.420394 7.465882 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=362) -1 12.524946 16.337829 7.124541 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=362) -1 13.527171 15.219331 7.195254 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=363) -1 8.684827 -2.681360 -16.825551 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=363) -1 8.793760 -3.326320 -16.076515 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=363) -1 8.348104 -3.278416 -17.510649 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=364) -1 -21.803921 -1.780633 -14.131932 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=364) -1 -22.229954 -0.953653 -13.792413 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=364) -1 -22.561865 -2.404293 -13.999149 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=365) -1 33.374475 -4.592306 6.182406 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=365) -1 32.443492 -4.268368 6.167620 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=365) -1 33.592995 -4.453304 5.225921 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=366) -1 -24.362027 5.901068 -4.776071 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=366) -1 -25.154970 5.572064 -5.250592 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=366) -1 -24.246550 5.179219 -4.116880 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=367) -1 7.305700 15.386516 -7.991419 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=367) -1 8.160476 15.809002 -8.227000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=367) -1 7.255841 14.710532 -8.702404 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=368) -1 -13.839351 -27.900851 -1.509407 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=368) -1 -14.587186 -28.490561 -1.364819 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=368) -1 -14.137103 -27.087471 -1.047705 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=369) -1 -3.135241 -5.784404 -13.451292 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=369) -1 -3.181369 -6.646066 -13.885221 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=369) -1 -4.071888 -5.493146 -13.502513 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=370) -1 -0.777205 6.482802 -7.374630 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=370) -1 -0.220615 6.469114 -8.171101 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=370) -1 -0.072480 6.369444 -6.680143 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=371) -1 -22.586721 -4.496043 -15.912588 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=371) -1 -21.950504 -4.956244 -15.320400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=371) -1 -23.208338 -4.139765 -15.239329 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=372) -1 31.308744 -3.341031 17.169081 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=372) -1 31.595456 -2.843436 16.375597 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=372) -1 30.405078 -2.981979 17.280490 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=374) -1 5.728217 -12.944160 11.879973 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=374) -1 4.905025 -13.156478 12.371891 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=374) -1 5.586747 -11.983808 11.725924 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=375) -1 9.561477 13.623358 2.225245 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=375) -1 10.279975 14.206238 2.582457 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=375) -1 8.798385 14.212909 2.328668 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=376) -1 16.261654 13.012496 14.223665 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=376) -1 15.560444 12.927831 13.524167 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=376) -1 16.717969 12.152391 14.077780 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=377) -1 -29.322006 -16.173462 -12.793335 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=377) -1 -28.737432 -16.165293 -12.003710 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=377) -1 -28.735777 -15.718126 -13.439400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=378) -1 -8.254826 -18.667465 -5.645956 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=378) -1 -8.920790 -18.025354 -5.973400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=378) -1 -8.483166 -19.447281 -6.202866 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=379) -1 -19.971636 12.238155 -4.097625 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=379) -1 -20.342104 11.337346 -4.252885 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=379) -1 -19.133890 12.156258 -4.612924 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=380) -1 3.400402 3.770250 -6.543919 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=380) -1 3.709041 2.906101 -6.220385 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=380) -1 2.505206 3.803439 -6.116735 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=381) -1 -14.343832 18.329305 9.310628 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=381) -1 -14.647133 19.093761 8.772843 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=381) -1 -15.211620 18.073777 9.722988 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=382) -1 34.392554 -3.038146 -1.848254 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=382) -1 34.137423 -3.985480 -1.773971 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=382) -1 34.062202 -2.823777 -2.729119 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=383) -1 -12.262201 -5.982703 -13.261610 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=383) -1 -12.478469 -6.626710 -13.973833 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=383) -1 -13.172062 -5.760534 -12.965003 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=384) -1 -7.405895 -8.675891 20.865171 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=384) -1 -7.398225 -8.807056 21.828527 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=384) -1 -6.469869 -8.350371 20.743462 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=385) -1 11.828831 18.565935 14.672049 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=385) -1 11.709112 17.634214 14.345515 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=385) -1 12.654083 18.794008 14.221740 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=386) -1 35.515537 0.608849 1.281785 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=386) -1 34.895154 1.052824 0.658283 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=386) -1 35.742722 -0.184921 0.735548 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=387) -1 -18.687028 16.897170 8.809366 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=387) -1 -18.605532 16.646501 7.868038 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=387) -1 -19.659250 17.056498 8.860689 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=388) -1 -21.728353 23.694547 9.526099 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=388) -1 -22.349773 22.941204 9.683656 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=388) -1 -21.873031 24.215195 10.326114 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=389) -1 13.157532 10.178430 15.513658 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=389) -1 13.746285 10.070211 14.727097 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=389) -1 13.561532 10.998298 15.893410 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=390) -1 -19.171064 -5.038151 -11.836280 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=390) -1 -19.753028 -5.086653 -11.042013 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=390) -1 -19.256312 -4.075624 -12.035947 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=391) -1 1.049880 10.882461 0.490188 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=391) -1 1.962590 10.526661 0.305678 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=391) -1 0.799235 10.254563 1.212335 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=392) -1 -4.671434 6.787228 17.743066 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=392) -1 -3.910451 7.356375 17.939775 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=392) -1 -4.196214 6.035861 17.284720 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=393) -1 -12.238952 0.373956 19.144516 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=393) -1 -12.498738 1.113917 18.555182 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=393) -1 -12.575121 -0.386338 18.602436 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=394) -1 -10.522373 28.744480 -13.981565 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=394) -1 -10.022235 29.569844 -14.007405 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=394) -1 -11.407800 29.067569 -13.699155 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=395) -1 -31.561528 -22.516247 -4.769407 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=395) -1 -31.126397 -22.381522 -3.897390 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=395) -1 -31.226591 -23.421073 -4.976434 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=396) -1 20.477048 -2.769565 -16.632008 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=396) -1 19.802041 -3.471353 -16.808828 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=396) -1 20.243741 -2.550756 -15.705522 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=397) -1 -2.448409 -8.112570 16.762802 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=397) -1 -3.428832 -7.986363 16.808489 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=397) -1 -2.402145 -8.923609 16.216734 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=398) -1 8.288786 6.579001 7.798540 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=398) -1 7.777535 6.261603 8.591525 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=398) -1 8.320493 7.528021 7.992788 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=399) -1 -3.637703 -14.237646 -12.676808 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=399) -1 -4.387534 -13.881575 -13.215283 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=399) -1 -3.577259 -15.138805 -13.057819 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=400) -1 -24.114117 1.034454 1.764319 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=400) -1 -24.188921 0.138156 1.363777 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=400) -1 -23.903812 0.773390 2.696591 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=401) -1 -14.438262 -15.940668 15.530993 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=401) -1 -15.403062 -16.036876 15.523683 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=401) -1 -14.312945 -15.540525 16.432426 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=402) -1 26.481793 5.607711 -3.961586 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=402) -1 27.132800 5.768635 -4.698030 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=402) -1 25.687581 5.428929 -4.524343 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=403) -1 -4.472703 -1.477894 22.538983 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=403) -1 -4.021715 -1.268020 23.371860 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=403) -1 -5.064647 -0.677809 22.466206 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=404) -1 -30.556540 -14.994841 -1.478621 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=404) -1 -30.754765 -14.611605 -2.360755 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=404) -1 -31.082566 -15.818325 -1.521317 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=405) -1 -0.050519 -15.381742 2.135618 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=405) -1 -0.296883 -15.526770 3.076737 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=405) -1 -0.867939 -14.932183 1.816089 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=406) -1 -23.199245 20.353346 4.184720 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=406) -1 -23.257264 19.592939 4.803107 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=406) -1 -22.984115 19.880001 3.349592 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=407) -1 -14.655584 -17.647316 9.563739 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=407) -1 -15.357703 -17.271997 8.986261 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=407) -1 -14.558868 -16.884981 10.196832 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=408) -1 12.792133 5.770685 -18.891981 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=408) -1 13.175183 5.505683 -18.025916 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=408) -1 12.660555 4.883589 -19.291741 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=409) -1 6.769236 -5.659070 1.141709 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=409) -1 7.367971 -6.310489 0.685731 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=409) -1 6.423268 -5.212537 0.322208 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=410) -1 16.772035 20.162668 3.207728 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=410) -1 16.196163 20.261024 2.403683 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=410) -1 17.140664 19.260929 2.990922 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=411) -1 10.903483 -1.551687 -15.667807 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=411) -1 10.317761 -1.289110 -14.915289 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=411) -1 10.221303 -1.958114 -16.253583 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=412) -1 8.478944 -7.129387 -7.201504 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=412) -1 9.438004 -6.896255 -7.243087 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=412) -1 8.323385 -6.996117 -6.237895 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=413) -1 -26.697623 1.860799 2.085841 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=413) -1 -26.826176 1.223071 2.832090 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=413) -1 -25.753775 1.657778 1.879045 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=414) -1 10.059037 5.014186 11.424284 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=414) -1 10.414517 5.349991 10.575748 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=414) -1 10.606936 5.517367 12.060911 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=415) -1 22.442387 15.889079 -4.385842 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=415) -1 21.587201 16.329321 -4.591167 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=415) -1 22.266391 15.595139 -3.468489 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=416) -1 -22.193157 -25.604293 -3.452616 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=416) -1 -22.540913 -24.800667 -3.915970 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=416) -1 -21.284174 -25.615958 -3.803868 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=417) -1 20.963758 -17.826954 -13.915605 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=417) -1 20.041819 -17.936270 -14.236402 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=417) -1 21.102291 -16.887137 -14.223843 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=418) -1 24.203336 19.851816 -10.994529 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=418) -1 24.216803 18.910257 -10.700411 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=418) -1 23.532043 20.214783 -10.404726 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=419) -1 -21.301457 -7.700833 -11.066177 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=419) -1 -20.356318 -7.857321 -11.295606 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=419) -1 -21.195247 -6.960271 -10.431882 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=420) -1 13.815675 15.206265 4.398930 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=420) -1 14.399342 14.820075 5.078229 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=420) -1 14.265890 16.072428 4.255540 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=421) -1 5.852562 -12.492530 -1.768895 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=421) -1 6.782452 -12.567653 -1.470271 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=421) -1 5.629287 -11.596647 -1.468751 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=422) -1 -15.377611 5.188469 -11.521056 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=422) -1 -14.913298 6.035669 -11.699039 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=422) -1 -15.338682 4.789724 -12.420830 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=423) -1 -3.609938 -17.669589 -7.113739 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=423) -1 -3.888250 -17.153088 -6.312449 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=423) -1 -4.295724 -18.359187 -7.109255 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=424) -1 -9.645599 28.938863 -3.043661 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=424) -1 -8.855355 28.492000 -2.656920 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=424) -1 -10.220825 28.983652 -2.257524 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=425) -1 -7.762729 23.499740 -10.998925 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=425) -1 -7.137359 22.824991 -10.635621 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=425) -1 -7.782918 24.115627 -10.227598 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=426) -1 31.341942 11.324761 0.024734 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=426) -1 31.127162 11.484485 -0.922384 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=426) -1 31.910933 10.521831 -0.074324 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=427) -1 -8.093759 -16.884638 -13.044010 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=427) -1 -7.216820 -16.787430 -12.610447 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=427) -1 -8.546272 -16.087138 -12.702552 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=428) -1 23.898262 0.608884 -9.493866 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=428) -1 24.254870 1.131809 -8.739885 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=428) -1 24.066902 1.262389 -10.219957 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=429) -1 -17.884668 -2.608868 17.011276 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=429) -1 -18.386569 -2.258932 16.258327 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=429) -1 -18.335974 -3.482718 17.126427 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=430) -1 -24.958654 -3.631989 -1.008073 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=430) -1 -24.692427 -4.355038 -0.400795 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=430) -1 -24.336929 -3.811429 -1.759382 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=431) -1 13.249848 -18.206852 1.210863 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=431) -1 13.163741 -17.292970 1.584566 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=431) -1 14.213434 -18.179220 0.985290 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=432) -1 -21.340869 17.455787 8.682090 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=432) -1 -21.776516 18.327898 8.768712 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=432) -1 -22.121827 16.885726 8.526779 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=433) -1 18.388552 2.056152 -20.122940 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=433) -1 18.154523 2.972244 -19.861897 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=433) -1 17.479705 1.696464 -20.283186 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=434) -1 -20.734646 6.057241 -5.894747 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=434) -1 -21.550477 5.902675 -6.442424 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=434) -1 -20.494187 5.095273 -5.754774 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=435) -1 -7.958220 25.493560 -12.864907 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=435) -1 -7.892400 24.686837 -12.299940 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=435) -1 -7.081120 25.491699 -13.278291 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=436) -1 9.032765 -8.284223 -9.590350 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=436) -1 8.718029 -8.071756 -8.680182 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=436) -1 9.843110 -8.793600 -9.364988 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=437) -1 -5.290475 -1.465363 -11.066864 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=437) -1 -5.633945 -1.072758 -11.900794 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=437) -1 -4.969172 -0.642435 -10.626487 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=438) -1 20.066679 10.123972 12.751874 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=438) -1 20.427651 11.045041 12.737220 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=438) -1 20.714537 9.709078 12.124412 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=439) -1 23.852292 17.422476 -9.833519 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=439) -1 23.269643 17.496771 -9.042733 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=439) -1 23.938632 16.450870 -9.888682 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=440) -1 -17.559675 12.844134 -9.123097 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=440) -1 -18.386676 13.345264 -8.953733 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=440) -1 -17.836855 11.953555 -8.814733 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=441) -1 10.599790 15.176021 -3.149635 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=441) -1 10.240977 14.305227 -2.880427 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=441) -1 10.286423 15.209801 -4.077018 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=442) -1 6.373085 -6.360037 -8.745751 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=442) -1 7.105362 -6.707324 -8.180564 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=442) -1 6.246411 -5.483686 -8.299232 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=443) -1 -11.734227 -9.717221 -15.819622 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=443) -1 -11.096954 -10.094960 -15.170929 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=443) -1 -11.752175 -10.415880 -16.486675 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=444) -1 12.853025 -19.776464 -2.739102 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=444) -1 12.250120 -19.394613 -2.066069 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=444) -1 13.546923 -20.151637 -2.149141 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=445) -1 15.477461 -12.326766 10.696402 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=445) -1 16.401851 -12.018716 10.885532 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=445) -1 15.672903 -13.293931 10.608390 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=446) -1 -21.504292 -9.203148 9.460486 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=446) -1 -22.212674 -8.539255 9.644717 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=446) -1 -21.090906 -8.765005 8.676211 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=447) -1 -15.504015 14.454434 -6.227934 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=447) -1 -15.325644 13.535532 -5.922008 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=447) -1 -15.390159 14.326302 -7.197196 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=448) -1 29.082435 8.353115 13.942685 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=448) -1 29.970741 8.123799 14.335120 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=448) -1 28.680468 7.453191 13.975327 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=449) -1 9.234088 -6.140733 3.942685 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=449) -1 9.200991 -5.269116 3.486418 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=449) -1 9.921116 -5.948872 4.617265 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=450) -1 -10.138443 15.231311 -2.448763 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=450) -1 -10.509153 14.608374 -3.128912 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=450) -1 -10.718484 14.953556 -1.689848 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=451) -1 -18.763806 26.195218 -5.061980 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=451) -1 -18.842746 26.771058 -5.867202 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=451) -1 -18.923310 25.319714 -5.519006 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=452) -1 -15.188956 11.879848 -5.417408 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=452) -1 -14.723887 11.992146 -4.541797 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=452) -1 -14.739756 11.049784 -5.702546 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=453) -1 22.532379 -6.776085 -13.087635 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=453) -1 23.347703 -6.945519 -12.540909 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=453) -1 22.514178 -5.788658 -13.004558 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=454) -1 -11.270183 4.990720 -8.848619 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=454) -1 -10.535351 4.468921 -9.229331 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=454) -1 -12.040134 4.456529 -9.147188 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=455) -1 24.586938 -4.054161 -16.902508 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=455) -1 23.935924 -3.727256 -17.577028 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=455) -1 24.532466 -3.282800 -16.278848 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=456) -1 -8.275827 20.624031 0.247807 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=456) -1 -8.053721 20.907888 1.161440 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=456) -1 -9.257638 20.550869 0.331953 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=457) -1 -6.932311 5.045556 -9.568538 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=457) -1 -7.811456 4.793377 -9.956926 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=457) -1 -6.360889 4.475225 -10.150175 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=458) -1 -20.977234 13.979895 -5.875935 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=458) -1 -20.251198 14.625175 -5.679309 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=458) -1 -20.749671 13.309226 -5.177356 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=459) -1 -19.071730 28.069234 1.170354 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=459) -1 -19.911465 27.733274 0.788308 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=459) -1 -18.955420 27.408658 1.901334 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=460) -1 -13.336322 -1.446016 17.545666 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=460) -1 -14.306820 -1.312811 17.488728 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=460) -1 -13.248035 -2.362954 17.250534 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=461) -1 -26.696836 -0.077844 -10.355225 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=461) -1 -26.916543 -1.025531 -10.164222 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=461) -1 -27.161345 0.033649 -11.202515 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=462) -1 11.636491 17.769490 4.073383 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=462) -1 12.208391 18.428296 3.616629 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=462) -1 11.975097 17.859644 4.989069 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=463) -1 -22.825274 22.789196 -7.442488 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=463) -1 -23.756682 22.479757 -7.579996 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=463) -1 -22.755419 23.411104 -8.202712 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=464) -1 8.501343 -12.915108 -0.873356 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=464) -1 9.208359 -12.448386 -0.379413 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=464) -1 9.064444 -13.368646 -1.556462 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=465) -1 -5.718569 -4.916075 -13.246677 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=465) -1 -6.171867 -4.145651 -13.664832 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=465) -1 -5.517196 -4.525377 -12.364521 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=466) -1 -11.764277 21.336944 -12.280823 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=466) -1 -11.294205 20.676370 -11.711579 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=466) -1 -12.251150 20.706211 -12.864879 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=467) -1 27.272071 7.963500 -11.098211 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=467) -1 27.320337 7.886241 -12.085984 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=467) -1 26.622264 8.710392 -11.044008 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=468) -1 8.729095 -2.910443 -10.015464 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=468) -1 8.788941 -3.864139 -9.780265 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=468) -1 7.923503 -2.663688 -9.501702 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=469) -1 11.470116 -15.398974 8.327093 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=469) -1 12.245152 -14.801465 8.371526 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=469) -1 11.843356 -16.124913 7.779843 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=470) -1 21.786572 12.767157 -14.755951 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=470) -1 22.462119 12.240585 -14.258435 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=470) -1 22.238497 13.617333 -14.822201 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=471) -1 -14.412715 26.389856 -9.698812 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=471) -1 -15.284528 26.699521 -9.351022 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=471) -1 -14.141514 27.176266 -10.206098 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=472) -1 3.425382 6.976417 6.091375 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=472) -1 4.391515 6.883477 6.279029 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=472) -1 3.250750 6.042873 5.802462 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=473) -1 -16.887938 20.334095 -0.966762 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=473) -1 -15.913507 20.207901 -1.107224 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=473) -1 -17.210307 19.778374 -1.711877 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=474) -1 -9.255066 -1.402640 -14.771031 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=474) -1 -8.670829 -2.166381 -14.639178 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=474) -1 -10.125986 -1.768559 -14.541915 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=475) -1 -24.443082 -16.849027 -15.463393 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=475) -1 -24.607355 -15.938555 -15.124368 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=475) -1 -23.510702 -16.788237 -15.708562 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=476) -1 -12.298159 -23.007766 0.991672 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=476) -1 -11.874228 -22.372352 0.367355 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=476) -1 -11.955784 -23.853680 0.633050 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=477) -1 2.979818 3.129516 -11.787139 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=477) -1 3.181225 3.395547 -10.850248 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=477) -1 3.825649 3.417382 -12.203801 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=478) -1 11.102676 -6.799444 -7.808457 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=478) -1 11.379592 -7.675981 -8.140032 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=478) -1 11.619944 -6.205712 -8.384102 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=479) -1 11.437534 -18.342845 -0.849618 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=479) -1 12.121633 -18.385043 -0.139660 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=479) -1 10.705686 -17.925401 -0.333433 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=480) -1 0.708944 -15.293500 -7.151658 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=480) -1 0.156205 -16.031650 -6.827386 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=480) -1 1.098824 -14.979156 -6.305589 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=481) -1 5.595538 7.304154 -2.412441 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=481) -1 5.661241 7.908842 -1.636402 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=481) -1 6.513794 6.941798 -2.408646 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=482) -1 25.231140 7.955897 -14.901763 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=482) -1 24.658455 7.307941 -14.433508 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=482) -1 24.584206 8.621715 -15.167888 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=483) -1 -18.774553 24.333637 -18.056966 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=483) -1 -19.506263 24.100012 -18.638224 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=483) -1 -19.193237 24.278494 -17.173537 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=484) -1 -27.544421 -7.631992 -8.047367 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=484) -1 -27.914590 -6.786849 -8.420148 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=484) -1 -27.520837 -7.366885 -7.096470 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=485) -1 -28.964579 22.437997 -1.363318 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=485) -1 -29.267623 22.515020 -0.438074 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=485) -1 -29.506834 21.681598 -1.673922 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=486) -1 -16.238911 24.227068 -17.106462 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=486) -1 -17.060878 24.266998 -17.656527 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=486) -1 -16.266413 25.153357 -16.742648 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=487) -1 -20.041331 -9.188460 11.722036 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=487) -1 -20.565723 -8.487999 12.163259 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=487) -1 -20.575248 -9.298908 10.897208 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=488) -1 -7.932501 26.498054 0.714397 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=488) -1 -8.106521 25.539514 0.876126 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=488) -1 -7.369791 26.708446 1.473665 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=489) -1 3.664070 -5.527676 -8.384618 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=489) -1 4.303144 -4.834766 -8.094221 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=489) -1 4.294559 -6.165787 -8.781000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=490) -1 27.273208 3.496846 -7.501586 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=490) -1 27.669140 3.441778 -8.401020 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=490) -1 26.418194 3.048334 -7.661398 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=491) -1 -13.739039 18.092075 4.500804 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=491) -1 -13.145044 17.323155 4.702821 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=491) -1 -13.317289 18.753124 5.113492 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=492) -1 -11.340347 -24.697084 -5.347775 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=492) -1 -10.804695 -24.227509 -4.677320 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=492) -1 -11.698757 -25.431358 -4.810151 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=493) -1 0.674975 -13.394787 13.965633 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=493) -1 0.268914 -14.064521 14.564219 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=493) -1 -0.071837 -13.296619 13.324331 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=494) -1 10.939572 -12.655083 6.639642 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=494) -1 11.677121 -13.085659 7.128354 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=494) -1 11.310975 -11.749271 6.554888 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=495) -1 12.718216 16.304665 -1.750585 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=495) -1 12.614764 15.815997 -0.911403 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=495) -1 11.942840 15.961361 -2.251000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=496) -1 -18.209805 15.035690 -0.159825 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=496) -1 -17.314057 14.624648 -0.131276 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=496) -1 -18.411629 14.913609 -1.116000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=497) -1 -16.161101 -7.899989 -12.534614 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=497) -1 -15.417557 -8.530256 -12.642951 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=497) -1 -15.674365 -7.047923 -12.610361 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=498) -1 27.371943 9.854667 -5.087513 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=498) -1 27.073989 9.994005 -4.165740 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=498) -1 26.770554 9.119883 -5.353087 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=499) -1 5.480916 -15.196783 7.196330 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=499) -1 5.880834 -14.833767 8.022834 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=499) -1 6.298842 -15.580638 6.792103 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=500) -1 11.766862 16.103508 13.658094 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=500) -1 11.258461 15.736414 12.890867 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=500) -1 12.199438 15.269366 13.959173 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=501) -1 -25.831453 20.667022 3.091502 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=501) -1 -25.685864 19.696617 2.928027 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=501) -1 -25.036809 20.842325 3.643712 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=502) -1 27.774391 12.144892 -1.223870 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=502) -1 28.145681 12.608872 -0.441285 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=502) -1 27.506586 12.926305 -1.768556 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=503) -1 4.563155 -0.839506 -7.227227 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=503) -1 4.836967 -0.079694 -6.687601 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=503) -1 4.798224 -1.586211 -6.618852 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=504) -1 -24.656207 16.234035 4.434347 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=504) -1 -24.496921 15.530734 3.747855 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=504) -1 -24.964279 15.635967 5.165792 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=505) -1 25.878095 15.107402 12.944251 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=505) -1 26.102473 14.864741 12.017663 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=505) -1 26.356667 14.386853 13.418095 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=506) -1 -22.204183 9.927694 7.750826 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=506) -1 -21.869858 9.471535 8.563946 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=506) -1 -21.525744 9.603725 7.107657 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=507) -1 14.122478 -18.893309 -9.692869 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=507) -1 15.081128 -18.759693 -9.514376 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=507) -1 13.936731 -18.080664 -10.207908 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=508) -1 -27.615178 0.367657 -7.644503 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=508) -1 -27.550623 -0.608924 -7.454294 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=508) -1 -27.348770 0.360441 -8.584901 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=509) -1 12.828238 -10.545437 6.666507 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=509) -1 13.114998 -10.584075 7.608311 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=509) -1 13.663685 -10.800896 6.224449 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=511) -1 21.790139 11.772006 4.082657 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=511) -1 20.879496 12.019974 4.349304 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=511) -1 22.125198 11.417896 4.939609 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=512) -1 30.979808 4.782489 14.947170 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=512) -1 31.751440 4.415966 14.458516 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=512) -1 30.696360 3.951282 15.420752 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=513) -1 -29.804181 -2.154069 -5.786934 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=513) -1 -29.052476 -2.288647 -6.406213 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=513) -1 -29.709655 -2.975842 -5.243453 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=514) -1 -16.959549 29.596543 2.189572 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=514) -1 -17.836471 29.242231 1.940332 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=514) -1 -16.646421 28.898876 2.796816 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=515) -1 28.885567 -8.622170 -13.017208 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=515) -1 28.646473 -9.439806 -13.488549 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=515) -1 28.045799 -8.126033 -13.077258 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=516) -1 13.987279 10.241352 -15.311000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=516) -1 14.789606 10.048736 -14.785574 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=516) -1 13.585580 10.954095 -14.780254 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=517) -1 0.622161 11.893248 -1.994720 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=517) -1 -0.064077 11.217173 -2.206802 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=517) -1 0.904445 11.557065 -1.112022 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=518) -1 -6.249226 -7.480991 -12.673892 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=518) -1 -5.722639 -7.409672 -11.848006 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=518) -1 -6.129041 -6.568781 -13.025002 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=519) -1 -3.701762 -19.746000 10.418499 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=519) -1 -3.630305 -18.801945 10.166150 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=519) -1 -4.562192 -19.972348 10.007597 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=520) -1 33.586107 -5.648259 -1.803248 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=520) -1 33.356131 -5.844263 -2.752229 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=520) -1 33.079451 -6.386215 -1.384046 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=521) -1 -21.169536 -21.871068 -0.887871 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=521) -1 -21.730887 -22.659837 -1.085796 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=521) -1 -20.490324 -21.982547 -1.595801 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=522) -1 32.442839 -7.818988 -0.616617 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=522) -1 32.868094 -7.688235 0.266482 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=522) -1 32.776743 -8.698124 -0.847343 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=523) -1 -21.389736 9.005037 -9.384473 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=523) -1 -21.998089 8.249523 -9.574035 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=523) -1 -20.940741 8.654815 -8.584125 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=524) -1 -2.647494 11.189517 -0.470254 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=524) -1 -2.046814 11.916193 -0.200960 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=524) -1 -2.107363 10.771339 -1.178588 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=525) -1 -14.011629 15.686739 0.539247 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=525) -1 -14.748846 15.124137 0.223838 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=525) -1 -14.493327 16.236229 1.202847 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=526) -1 -13.378525 8.467582 1.523306 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=526) -1 -13.792103 9.318943 1.258669 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=526) -1 -13.216691 8.063952 0.651652 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=527) -1 -24.287065 2.418559 8.635392 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=527) -1 -24.926282 1.867232 8.117929 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=527) -1 -23.816675 2.855622 7.892155 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=528) -1 -8.782482 0.098097 21.986762 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=528) -1 -8.470244 -0.525596 21.294251 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=528) -1 -9.271863 0.741862 21.425611 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=529) -1 10.629080 -12.965146 -5.768350 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=529) -1 10.967151 -13.694615 -6.344306 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=529) -1 9.835533 -13.411540 -5.396869 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=530) -1 33.693574 6.699096 13.635645 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=530) -1 33.494017 5.736767 13.561754 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=530) -1 34.231187 6.837259 12.846505 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=531) -1 -9.474197 6.397376 16.619209 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=531) -1 -9.688660 5.594755 16.102053 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=531) -1 -8.556922 6.569448 16.321855 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=532) -1 30.444756 3.204418 7.404042 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=532) -1 30.408459 2.999386 6.440296 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=532) -1 29.889850 4.013677 7.421217 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=533) -1 16.945013 -17.932992 -4.319162 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=533) -1 17.900502 -17.849161 -4.535062 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=533) -1 16.554353 -17.795714 -5.208657 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=534) -1 -8.636674 16.235063 15.818612 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=534) -1 -8.328091 15.295839 15.892042 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=534) -1 -7.863176 16.698192 16.172964 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=535) -1 -18.529020 14.981673 -5.218367 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=535) -1 -18.114497 14.111365 -5.432803 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=535) -1 -17.929261 15.572156 -5.727116 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=536) -1 -9.037340 25.030155 -2.379548 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=536) -1 -8.682751 24.154856 -2.091215 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=536) -1 -9.009847 24.900598 -3.355863 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=537) -1 -17.758393 21.105396 1.465434 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=537) -1 -17.018783 20.614108 1.918075 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=537) -1 -17.519052 20.848478 0.530468 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=538) -1 20.978877 19.773451 -6.954176 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=538) -1 20.655166 19.863552 -6.038124 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=538) -1 20.144989 19.501902 -7.402961 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=539) -1 9.979586 15.672354 -8.812545 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=539) -1 10.615671 16.268478 -8.342785 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=539) -1 10.174790 14.830024 -8.356159 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=540) -1 -26.612999 -22.489748 0.004043 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=540) -1 -25.734605 -22.608956 0.425382 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=540) -1 -26.631413 -23.287585 -0.571259 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=541) -1 5.210598 -12.360262 4.076039 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=541) -1 5.659095 -11.473830 4.038677 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=541) -1 6.036434 -12.920895 4.110861 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=542) -1 -22.898238 19.154845 1.744094 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=542) -1 -23.760852 18.723260 1.937311 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=542) -1 -22.392064 18.364921 1.431570 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=543) -1 0.482916 -5.438263 16.686061 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=543) -1 0.341455 -6.000105 17.475251 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=543) -1 1.410998 -5.148466 16.839927 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=544) -1 17.233861 -5.879060 14.859917 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=544) -1 17.304389 -6.723790 15.334183 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=544) -1 18.144712 -5.828462 14.470239 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=545) -1 15.978354 -16.492506 -11.516559 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=545) -1 16.296231 -16.978351 -10.725375 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=545) -1 15.067093 -16.273898 -11.227972 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=546) -1 16.257737 -17.198660 5.809602 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=546) -1 16.565690 -17.845732 5.162129 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=546) -1 15.481431 -16.815891 5.338155 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=547) -1 9.933299 -0.702644 -11.055850 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=547) -1 10.789330 -0.673171 -10.605456 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=547) -1 9.516585 -1.477812 -10.610188 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=548) -1 -16.424239 -17.009478 7.523003 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=548) -1 -16.128083 -16.316699 6.886715 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=548) -1 -17.400673 -16.916465 7.412707 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=549) -1 29.259408 7.865736 6.429838 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=549) -1 29.959315 8.238920 7.030286 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=549) -1 29.840283 7.616880 5.671362 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=550) -1 23.754259 9.101049 -3.789935 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=550) -1 23.255440 9.321084 -4.624660 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=550) -1 24.084098 10.022121 -3.601734 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=551) -1 23.512183 -13.764019 3.534338 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=551) -1 23.221677 -14.513036 4.097827 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=551) -1 22.919262 -13.903100 2.758410 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=552) -1 30.138476 7.770673 -12.617919 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=552) -1 30.013238 6.890763 -12.219730 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=552) -1 29.359498 7.814350 -13.210714 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=553) -1 33.002375 4.121620 13.151762 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=553) -1 33.491548 3.326621 12.820638 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=553) -1 32.374125 4.217996 12.384766 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=554) -1 -25.190493 14.298219 6.235761 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=554) -1 -25.273767 13.629833 5.506624 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=554) -1 -25.284006 13.659326 6.999471 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=555) -1 -18.994733 27.640321 -7.337010 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=555) -1 -19.739393 27.209066 -7.821038 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=555) -1 -19.435759 28.454900 -7.025720 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=556) -1 0.418547 2.028335 -11.591239 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=556) -1 1.196690 2.616421 -11.732493 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=556) -1 0.894557 1.201510 -11.336526 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=557) -1 -9.787705 20.972978 7.313454 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=557) -1 -10.613184 21.065040 7.843797 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=557) -1 -9.178016 20.634571 7.984499 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=558) -1 -16.357738 19.101784 -12.626046 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=558) -1 -15.628341 18.467685 -12.842247 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=558) -1 -17.043350 18.434406 -12.353791 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=559) -1 14.175415 -2.590728 14.079915 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=559) -1 14.246085 -2.455367 13.110771 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=559) -1 14.009561 -1.662380 14.365358 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=560) -1 -13.640992 32.146645 -7.241301 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=560) -1 -14.056089 32.297142 -6.367913 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=560) -1 -13.238436 31.264284 -7.089271 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=561) -1 -11.604406 -14.216173 18.807756 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=561) -1 -11.293460 -14.951068 18.224965 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=561) -1 -11.217318 -13.449850 18.324535 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=562) -1 24.911150 11.205896 14.257953 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=562) -1 24.233828 10.727614 14.753659 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=562) -1 24.378259 11.584402 13.522483 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=563) -1 -14.585880 31.779584 -12.315452 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=563) -1 -15.300948 31.178195 -12.660975 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=563) -1 -14.820497 32.596989 -12.780666 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=564) -1 17.322069 4.333131 11.930509 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=564) -1 18.168162 4.821005 12.022655 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=564) -1 17.670145 3.411542 11.906670 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=565) -1 -10.213092 26.107725 -14.341863 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=565) -1 -10.268683 27.093884 -14.253806 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=565) -1 -9.387714 25.953981 -13.826900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=566) -1 -16.155998 0.740832 -14.939465 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=566) -1 -16.345917 0.904898 -15.896141 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=566) -1 -17.058003 0.959890 -14.579960 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=567) -1 -8.845390 1.210063 -14.486251 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=567) -1 -9.723545 1.440574 -14.859059 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=567) -1 -8.880022 0.225999 -14.619885 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=568) -1 14.974474 20.722603 -1.646090 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=568) -1 15.787596 20.740774 -2.204129 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=568) -1 14.465524 20.033656 -2.125695 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=569) -1 26.803907 -8.678772 -18.965509 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=569) -1 26.299200 -7.842793 -18.865053 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=569) -1 26.474727 -9.172347 -18.186014 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=570) -1 8.252114 -5.572252 -12.613418 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=570) -1 7.617982 -6.308476 -12.414502 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=570) -1 8.740965 -5.574091 -11.753238 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=571) -1 -22.261749 -5.007660 6.683811 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=571) -1 -22.769145 -5.834892 6.776775 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=571) -1 -21.805231 -5.007310 7.573239 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=572) -1 17.198977 -2.203628 -17.863483 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=572) -1 17.867390 -1.561838 -18.194202 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=572) -1 17.747524 -3.004386 -17.770728 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=573) -1 -27.953216 20.140088 1.324694 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=573) -1 -28.518481 20.929683 1.471555 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=573) -1 -27.334547 20.227401 2.079470 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=574) -1 16.689159 -14.775616 10.246156 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=574) -1 16.719268 -15.161661 9.343229 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=574) -1 17.645931 -14.644031 10.405152 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=575) -1 27.254288 13.933717 -3.140469 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=575) -1 26.522974 13.954505 -3.795370 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=575) -1 28.010287 13.748744 -3.744551 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=576) -1 -19.501468 24.085330 -15.424072 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=576) -1 -18.667009 23.558724 -15.342601 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=576) -1 -20.028670 23.656222 -14.721861 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=577) -1 -20.006505 26.633303 -2.709478 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=577) -1 -19.693777 26.330250 -3.602899 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=577) -1 -20.211139 27.578320 -2.960586 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=578) -1 -25.302712 -5.588103 -11.649808 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=578) -1 -24.450548 -5.932059 -11.992992 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=578) -1 -25.671487 -6.421218 -11.262064 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=579) -1 -23.805238 -3.522684 -13.628054 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=579) -1 -24.680998 -3.268355 -13.249175 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=579) -1 -23.641584 -4.345965 -13.118258 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=580) -1 -16.702260 11.078358 4.192086 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=580) -1 -16.026491 11.196177 4.902235 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=580) -1 -16.220216 11.515737 3.449719 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=581) -1 3.812714 -14.497379 5.246364 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=581) -1 4.432486 -14.805365 5.962210 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=581) -1 4.423093 -13.874557 4.786321 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=582) -1 -13.941630 30.967767 -9.776443 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=582) -1 -14.159781 31.470758 -10.589222 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=582) -1 -13.753409 31.697782 -9.152386 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=583) -1 18.590401 18.574147 -7.581613 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=583) -1 17.641570 18.298040 -7.598855 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=583) -1 19.010079 17.677552 -7.529011 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=584) -1 4.675762 -9.801222 -0.863629 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=584) -1 5.370731 -9.719055 -0.162935 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=584) -1 4.802320 -8.926950 -1.307066 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=585) -1 -16.743858 11.098528 -0.003472 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=585) -1 -15.796153 10.947690 0.246269 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=585) -1 -17.165414 10.439310 0.600560 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=586) -1 6.075192 -7.504543 3.032577 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=586) -1 6.097634 -7.067216 3.905869 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=586) -1 6.336842 -6.747399 2.455047 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=587) -1 -8.224827 -19.823251 7.311986 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=587) -1 -7.994351 -18.842589 7.287463 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=587) -1 -7.603718 -20.069643 8.045813 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=588) -1 -12.888022 28.609002 -10.506982 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=588) -1 -12.484580 28.272461 -9.677096 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=588) -1 -13.248878 29.469287 -10.170711 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=589) -1 10.656025 6.896605 -17.559414 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=589) -1 11.335237 6.607468 -18.210664 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=589) -1 11.229681 7.451684 -16.974728 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=590) -1 26.412052 10.232690 -2.533918 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=590) -1 26.904002 10.891808 -1.976447 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=590) -1 25.663895 10.820258 -2.815478 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=591) -1 7.764082 3.709002 -14.506352 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=591) -1 7.832296 2.770721 -14.793000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=591) -1 8.188770 4.150539 -15.275281 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=592) -1 -10.415053 -12.079063 17.613862 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=592) -1 -9.970345 -11.479111 18.252314 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=592) -1 -10.947362 -11.410191 17.113215 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=593) -1 32.363952 5.147690 -3.393978 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=593) -1 31.470642 5.372117 -3.762904 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=593) -1 32.916334 5.297512 -4.174345 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=594) -1 29.458589 0.305763 -7.793396 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=594) -1 30.055638 -0.264228 -8.294418 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=594) -1 28.584064 -0.063412 -8.045516 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=595) -1 27.044401 12.822680 13.880317 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=595) -1 26.306330 12.273340 14.240490 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=595) -1 27.805130 12.245592 14.143089 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=596) -1 -23.290454 4.473738 -11.735709 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=596) -1 -23.978547 4.523249 -11.034396 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=596) -1 -22.934986 3.572737 -11.556331 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=597) -1 27.460110 10.439742 -8.876417 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=597) -1 28.288769 10.348438 -9.404321 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=597) -1 26.800484 10.427757 -9.602781 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=598) -1 -8.913165 12.024700 2.116180 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=598) -1 -9.079274 11.057548 2.031130 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=598) -1 -9.609537 12.232106 2.799457 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=599) -1 18.884881 13.813167 13.476852 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=599) -1 18.042170 13.895887 13.963481 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=599) -1 19.323687 14.656677 13.724939 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=600) -1 7.056374 -9.395956 9.654157 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=600) -1 7.840517 -9.039918 10.097285 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=600) -1 7.232878 -9.117890 8.724110 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=601) -1 6.638159 -13.998131 9.348246 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=601) -1 7.575260 -13.997221 9.041745 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=601) -1 6.764130 -13.767372 10.290739 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=602) -1 -7.229446 -14.565272 19.587321 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=602) -1 -7.424235 -15.131551 18.811209 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=602) -1 -8.082803 -14.643449 20.072735 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=603) -1 1.613197 -13.474841 1.156980 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=603) -1 1.136343 -14.264059 1.502861 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=603) -1 1.996811 -13.130822 1.992408 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=604) -1 -8.805544 -15.818604 -3.922625 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=604) -1 -9.194690 -16.221658 -4.736246 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=604) -1 -8.914691 -14.859549 -4.176848 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=605) -1 -7.640869 13.218006 6.015252 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=605) -1 -8.436747 13.789848 5.955104 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=605) -1 -7.334406 13.265750 5.080164 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=606) -1 11.303211 -10.431057 -6.125340 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=606) -1 11.213106 -10.192931 -5.179215 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=606) -1 11.016820 -11.381843 -6.073295 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=607) -1 -12.116679 7.257790 -10.045048 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=607) -1 -12.598165 7.585196 -9.250768 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=607) -1 -11.700622 6.451119 -9.652390 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=608) -1 -26.692292 21.005461 -0.936691 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=608) -1 -27.119544 20.529608 -0.184346 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=608) -1 -27.411997 21.652409 -1.135547 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=609) -1 13.528104 19.472169 3.056065 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=609) -1 13.577793 20.324812 3.556854 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=609) -1 13.959216 19.765438 2.216205 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=610) -1 -2.028706 -14.432849 6.869803 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=610) -1 -2.776979 -13.864437 6.597195 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=610) -1 -1.629903 -14.647637 6.006160 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=611) -1 -3.302104 13.407905 5.441430 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=611) -1 -2.562586 13.324362 6.082069 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=611) -1 -2.797400 13.490535 4.603600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=612) -1 -16.630596 27.531899 -8.721751 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=612) -1 -17.503105 27.502491 -8.265427 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=612) -1 -16.325072 28.421894 -8.426481 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=613) -1 25.393733 12.080421 6.055831 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=613) -1 25.671816 11.234045 5.609006 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=613) -1 25.738214 12.723667 5.418534 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=614) -1 12.784219 18.066271 6.612899 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=614) -1 13.763935 18.045120 6.700870 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=614) -1 12.584889 18.931013 7.001894 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=615) -1 -19.980557 13.996775 -8.470414 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=615) -1 -20.460914 13.185035 -8.775968 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=615) -1 -20.359642 14.057905 -7.561894 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=616) -1 -13.663881 11.845113 -3.225102 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=616) -1 -12.997887 11.124066 -3.269214 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=616) -1 -13.655827 12.028220 -2.255567 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=617) -1 31.496936 4.130126 10.956666 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=617) -1 31.350265 4.893724 10.343309 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=617) -1 31.826839 3.469019 10.305523 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=618) -1 -15.740502 -19.671686 -14.057078 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=618) -1 -15.020824 -20.312315 -13.914751 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=618) -1 -16.176788 -19.701934 -13.174071 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=619) -1 -9.296767 4.841034 11.371521 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=619) -1 -9.419197 5.792896 11.630781 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=619) -1 -8.795727 4.529351 12.157166 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=620) -1 -17.234825 22.585604 -15.162514 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=620) -1 -16.792917 23.050669 -15.912280 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=620) -1 -16.496439 21.990881 -14.888722 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=621) -1 -18.586439 -7.642959 -11.506754 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=621) -1 -17.670060 -7.755840 -11.879684 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=621) -1 -18.685986 -6.672287 -11.674060 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=622) -1 -19.032780 22.259838 -13.089565 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=622) -1 -18.453535 21.862260 -12.399127 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=622) -1 -18.405214 22.260014 -13.846241 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=623) -1 12.094305 -18.354404 -7.953086 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=623) -1 12.722790 -18.860791 -8.527619 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=623) -1 12.664752 -17.551727 -7.802158 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=624) -1 -13.291309 16.255460 7.898075 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=624) -1 -14.123701 16.243713 7.364048 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=624) -1 -13.478106 17.050580 8.452394 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=625) -1 31.403852 7.472374 14.877433 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=625) -1 32.302238 7.376935 14.474804 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=625) -1 31.237267 6.521540 15.091766 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=626) -1 8.802385 -8.673616 4.783346 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=626) -1 9.776201 -8.767932 4.929463 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=626) -1 8.812729 -7.777322 4.351052 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=627) -1 10.557051 14.673378 11.697819 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=627) -1 10.611603 14.426872 10.752853 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=627) -1 10.439072 13.789253 12.107579 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=628) -1 11.471003 -8.699982 5.216504 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=628) -1 11.757267 -9.010197 4.329383 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=628) -1 11.949233 -9.347804 5.784361 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=629) -1 -3.883589 6.463800 8.634208 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=629) -1 -3.086462 6.425476 9.184979 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=629) -1 -4.239534 7.347734 8.894918 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=630) -1 23.769478 -13.304465 -4.703014 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=630) -1 24.170432 -13.079611 -5.588734 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=630) -1 23.280481 -14.123531 -4.987006 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=631) -1 4.652951 4.709764 8.697763 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=631) -1 3.863602 4.240163 8.378975 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=631) -1 5.021104 5.052989 7.856617 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=632) -1 -10.975568 9.337715 -6.362989 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=632) -1 -10.055152 9.649742 -6.545550 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=632) -1 -10.848760 8.376391 -6.574736 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=633) -1 -19.075327 24.014780 -9.329943 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=633) -1 -18.799140 24.224022 -10.238956 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=633) -1 -19.252981 23.052059 -9.412365 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=634) -1 27.812770 -5.092482 10.896052 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=634) -1 28.594699 -4.834133 11.452240 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=634) -1 27.832561 -4.345129 10.257797 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=635) -1 -20.185948 23.674334 4.721704 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=635) -1 -20.210215 23.468778 5.695546 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=635) -1 -20.200089 24.646550 4.764108 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=636) -1 16.901280 -18.700563 -1.769806 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=636) -1 16.797911 -18.454743 -2.730516 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=636) -1 17.882307 -18.817501 -1.759258 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=637) -1 -20.404285 -13.641542 -13.999180 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=637) -1 -20.143546 -14.551326 -14.301919 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=637) -1 -19.533735 -13.189448 -14.184932 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=638) -1 -24.746345 -18.551643 1.368600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=638) -1 -24.315722 -19.282781 0.872475 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=638) -1 -24.120461 -18.465284 2.118124 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=639) -1 32.706612 -6.375734 -4.221876 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=639) -1 32.811998 -6.417035 -5.182880 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=639) -1 31.923222 -6.974963 -4.107415 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=640) -1 -20.636670 3.706852 10.339207 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=640) -1 -21.516115 3.313381 10.599155 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=640) -1 -20.624117 3.418202 9.396622 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=641) -1 -16.041718 24.131821 -2.361462 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=641) -1 -16.742534 24.692595 -1.960890 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=641) -1 -15.817887 23.551993 -1.622496 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=642) -1 -24.047866 -23.021898 0.844427 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=642) -1 -23.633121 -23.431072 0.044474 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=642) -1 -23.764570 -23.645864 1.528210 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=643) -1 23.597239 11.443710 -13.316906 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=643) -1 23.588114 10.510440 -13.017484 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=643) -1 23.886931 11.887181 -12.489904 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=644) -1 -20.102832 8.439508 -7.037953 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=644) -1 -20.448184 8.997388 -6.299643 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=644) -1 -20.235086 7.548247 -6.629427 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=645) -1 -19.524697 21.266680 -9.724067 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=645) -1 -18.631953 21.252794 -10.164501 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=645) -1 -19.730675 20.293041 -9.841995 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=646) -1 -18.294855 -6.815853 13.411566 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=646) -1 -17.802143 -7.560682 13.022919 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=646) -1 -17.652959 -6.079903 13.270979 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=647) -1 -15.587245 30.748799 0.112871 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=647) -1 -14.871342 30.089454 0.265889 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=647) -1 -16.166615 30.523387 0.883152 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=648) -1 15.978038 15.297489 -3.296305 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=648) -1 16.178408 16.172788 -2.888730 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=648) -1 16.707364 14.766587 -2.909849 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=649) -1 -18.044902 9.213449 1.383536 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=649) -1 -18.298730 9.237272 2.337321 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=649) -1 -18.940217 9.157019 0.979724 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=650) -1 -18.570254 29.412603 -14.783455 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=650) -1 -18.770945 28.451161 -14.852698 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=650) -1 -19.192885 29.779285 -15.423132 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=651) -1 18.865475 2.060277 11.916150 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=651) -1 19.260247 2.054394 12.827911 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=651) -1 18.923767 1.104727 11.713039 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=652) -1 -1.694982 -17.690082 6.219089 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=652) -1 -2.146208 -18.533646 6.363616 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=652) -1 -1.583901 -17.371528 7.139244 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=653) -1 14.075622 -16.180487 4.583555 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=653) -1 13.984688 -15.210815 4.792801 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=653) -1 13.702189 -16.156961 3.665535 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=654) -1 11.504934 3.330849 8.644247 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=654) -1 12.018804 2.927436 9.377020 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=654) -1 11.463959 2.565212 8.027646 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=655) -1 22.334051 -10.541589 -3.254638 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=655) -1 21.797380 -10.891770 -4.012918 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=655) -1 22.496404 -9.633877 -3.603875 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=656) -1 -9.578002 28.097148 -8.426147 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=656) -1 -10.530527 27.911533 -8.316449 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=656) -1 -9.436031 27.758965 -9.336934 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=657) -1 18.140514 13.864053 -2.177029 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=657) -1 17.782622 13.066413 -2.637653 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=657) -1 18.710962 13.421219 -1.510697 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=658) -1 -25.492001 -17.747244 -8.274109 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=658) -1 -25.406935 -17.034486 -8.964009 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=658) -1 -24.632723 -17.633433 -7.822936 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=659) -1 0.975954 11.115510 7.154820 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=659) -1 1.758860 11.557902 7.524636 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=659) -1 1.248656 10.167056 7.285051 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=660) -1 -13.185183 11.583955 -12.142248 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=660) -1 -13.733471 10.857726 -12.550302 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=660) -1 -12.839997 11.068032 -11.366154 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=661) -1 30.845788 0.081833 17.038335 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=661) -1 31.296963 -0.458449 16.349064 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=661) -1 30.107610 -0.527789 17.258096 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=662) -1 24.242086 -11.828157 -15.607696 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=662) -1 24.636782 -12.606132 -15.164396 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=662) -1 23.403643 -11.746151 -15.093398 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=663) -1 -12.476897 14.003043 -8.307816 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=663) -1 -13.463367 13.935555 -8.359661 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=663) -1 -12.277466 13.048969 -8.115194 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=664) -1 29.897790 5.543694 -4.303437 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=664) -1 29.652071 4.630634 -4.045016 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=664) -1 29.283943 5.683071 -5.057998 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=665) -1 -8.476353 -20.629788 2.318691 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=665) -1 -8.032534 -20.642257 3.209805 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=665) -1 -9.121952 -21.363503 2.477472 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=666) -1 25.865535 -5.963061 12.516230 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=666) -1 26.302447 -5.641972 13.322283 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=666) -1 26.555745 -5.717339 11.844075 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=667) -1 10.804813 -16.344944 -9.370797 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=667) -1 11.162659 -15.748375 -8.670822 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=667) -1 11.110704 -17.208854 -9.023385 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=668) -1 -25.276527 12.229105 4.415060 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=668) -1 -24.798338 11.564139 4.977335 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=668) -1 -26.004304 11.669786 4.091302 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=669) -1 -13.565273 3.835518 -9.988420 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=669) -1 -13.797162 2.975329 -10.387353 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=669) -1 -14.251910 4.406655 -10.406061 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=670) -1 12.618711 14.716439 0.640459 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=670) -1 13.461784 14.337786 0.940229 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=670) -1 12.251187 15.046197 1.491056 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=671) -1 13.963845 -16.280463 -2.825965 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=671) -1 14.090942 -16.943565 -3.547030 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=671) -1 12.977307 -16.247453 -2.826455 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=672) -1 -6.050100 -19.834959 -2.168132 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=672) -1 -6.289663 -19.573254 -1.258024 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=672) -1 -6.168854 -18.988613 -2.643000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=673) -1 -15.030320 -23.027236 0.773964 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=673) -1 -14.048954 -22.960284 0.896207 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=673) -1 -15.303726 -22.500385 1.574479 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=674) -1 -12.989441 26.048180 -14.547757 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=674) -1 -12.008225 26.077752 -14.492172 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=674) -1 -13.098275 25.440046 -15.312224 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=675) -1 0.237812 -12.095116 -5.289219 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=675) -1 0.810791 -12.892748 -5.208354 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=675) -1 -0.638901 -12.521272 -5.108311 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=676) -1 -11.782001 13.685401 -3.911094 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=676) -1 -12.324610 14.480762 -4.082784 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=676) -1 -12.481586 13.021844 -3.742348 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=677) -1 10.906264 -18.014515 2.968129 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=677) -1 10.338075 -17.773361 2.202227 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=677) -1 11.683165 -18.375200 2.499379 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=678) -1 -16.378764 26.598670 -15.903855 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=678) -1 -15.833340 27.215059 -15.372421 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=678) -1 -17.274826 26.838430 -15.598709 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=679) -1 -7.919650 4.726915 18.227216 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=679) -1 -8.528197 5.468120 18.018549 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=679) -1 -8.563594 3.975656 18.180430 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=680) -1 -15.341210 16.334595 -4.324576 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=680) -1 -15.523227 15.657339 -5.019683 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=680) -1 -14.376070 16.208092 -4.223516 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=681) -1 -11.298430 16.760768 15.622102 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=681) -1 -10.345790 16.686638 15.856198 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=681) -1 -11.657407 15.995623 16.114713 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=682) -1 20.934402 15.300930 -9.482471 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=682) -1 20.478684 15.718909 -8.717092 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=682) -1 20.205920 14.793761 -9.875394 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=683) -1 -8.422297 -13.116989 -13.581802 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=683) -1 -9.091588 -12.430741 -13.768127 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=683) -1 -8.941584 -13.732229 -13.021654 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=684) -1 11.356334 -9.431253 -8.587849 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=684) -1 11.657354 -10.247892 -9.016733 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=684) -1 11.320625 -9.742949 -7.642681 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=685) -1 -22.174335 13.478441 10.301260 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=685) -1 -21.968347 13.759984 9.383485 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=685) -1 -22.726815 12.683176 10.107113 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=686) -1 -22.849082 0.422673 -13.015797 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=686) -1 -23.353323 -0.074746 -12.317917 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=686) -1 -22.498699 1.150212 -12.444338 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=687) -1 19.024363 19.076430 -4.931122 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=687) -1 18.680398 19.025073 -5.853158 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=687) -1 19.394582 18.156396 -4.862528 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=688) -1 -5.290902 12.149893 6.883630 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=688) -1 -4.758775 12.797830 6.367490 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=688) -1 -6.194128 12.509570 6.707470 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=689) -1 19.637361 -17.679097 -4.133125 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=689) -1 19.681251 -18.264630 -3.349540 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=689) -1 20.077636 -16.877768 -3.769384 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=690) -1 -29.646677 -23.735634 -7.822927 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=690) -1 -29.256314 -23.617169 -8.697394 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=690) -1 -29.953795 -22.825214 -7.621379 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=691) -1 10.019986 -0.989925 10.708333 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=691) -1 9.937063 -1.874407 11.098616 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=691) -1 9.333594 -1.057906 9.991263 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=692) -1 10.554396 12.233574 12.955813 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=692) -1 10.373744 11.589627 13.687893 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=692) -1 10.696732 11.577856 12.223796 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=693) -1 21.145096 -7.862690 -15.098347 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=693) -1 21.678370 -7.363187 -14.427980 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=693) -1 21.042446 -8.709862 -14.579964 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=694) -1 31.983537 6.846456 -1.313346 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=694) -1 32.185906 6.216879 -2.039206 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=694) -1 32.230507 6.287136 -0.536268 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=695) -1 18.156664 -11.919203 10.823755 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=695) -1 18.634642 -12.757107 10.625523 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=695) -1 18.683063 -11.296525 10.278875 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=696) -1 -5.142902 8.720123 9.412931 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=696) -1 -5.718775 8.665842 8.610501 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=696) -1 -5.821468 8.533310 10.103652 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=697) -1 -3.195632 7.533402 -7.054333 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=697) -1 -2.287557 7.179626 -7.244873 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=697) -1 -3.725273 6.809470 -7.467797 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=698) -1 -19.180392 24.093423 -6.615459 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=698) -1 -19.606006 23.200817 -6.609696 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=698) -1 -19.020578 24.175463 -7.585663 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=699) -1 18.679506 -7.405433 -16.236253 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=699) -1 18.338006 -8.327961 -16.176791 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=699) -1 19.595498 -7.555706 -15.896860 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=700) -1 34.217228 10.501498 -1.899888 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=700) -1 35.122620 10.222078 -1.713945 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=700) -1 33.719060 9.976328 -1.230607 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=701) -1 -30.158772 -18.945254 -0.132609 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=701) -1 -29.449090 -19.551598 -0.453813 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=701) -1 -29.887006 -18.818710 0.785427 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=703) -1 -1.946025 0.838889 -11.206655 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=703) -1 -1.074145 1.289191 -11.364410 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=703) -1 -1.624756 -0.097614 -11.206600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=704) -1 9.887315 12.822169 -13.444936 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=704) -1 9.878745 13.514457 -12.748532 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=704) -1 8.946743 12.637086 -13.543819 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=705) -1 15.451603 -17.479203 -6.600603 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=705) -1 14.804863 -16.919365 -7.101462 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=705) -1 14.819483 -17.870052 -5.943901 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=706) -1 -14.283904 14.189086 4.678351 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=706) -1 -14.526602 13.814457 3.795356 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=706) -1 -14.480219 13.383610 5.227687 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=707) -1 -11.803505 15.260659 -10.593916 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=707) -1 -11.964769 14.797552 -9.732193 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=707) -1 -11.139578 15.922281 -10.286428 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=708) -1 7.354298 -13.872109 4.396839 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=708) -1 7.432423 -14.626460 5.024388 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=708) -1 8.305283 -13.737132 4.188933 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=709) -1 18.093176 12.464730 11.238606 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=709) -1 18.351760 13.046911 11.992521 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=709) -1 18.423950 13.034564 10.492976 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=710) -1 -31.732910 -19.769660 -3.696152 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=710) -1 -32.210064 -20.489446 -4.148890 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=710) -1 -31.206396 -19.410606 -4.448313 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=711) -1 -7.902098 26.913860 -6.704289 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=711) -1 -7.428061 27.632171 -6.256218 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=711) -1 -8.548655 27.439662 -7.240965 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=712) -1 9.163378 -3.564063 2.988627 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=712) -1 9.428776 -2.637337 3.209635 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=712) -1 8.324884 -3.385869 2.515961 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=713) -1 0.125579 8.491651 -4.562408 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=713) -1 0.734300 8.480952 -3.780849 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=713) -1 0.461004 7.673041 -5.012671 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=715) -1 36.817972 -2.414392 4.815646 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=715) -1 36.310383 -2.478455 5.656338 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=715) -1 36.556273 -1.503553 4.540243 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=716) -1 16.651388 -5.776128 -15.460994 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=716) -1 17.278938 -6.470058 -15.789277 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=716) -1 16.615483 -6.057032 -14.510287 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=717) -1 -29.037134 22.670736 1.430530 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=717) -1 -29.499262 23.309687 1.991779 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=717) -1 -28.097075 22.932327 1.596977 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=718) -1 29.504392 2.940680 -3.425168 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=718) -1 28.566953 2.884432 -3.128899 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=718) -1 29.402057 2.589089 -4.346467 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=719) -1 -25.060379 -5.875231 -4.095558 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=719) -1 -24.672511 -5.894485 -5.007571 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=719) -1 -24.358669 -5.308253 -3.669433 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=720) -1 -7.123699 7.714833 11.059982 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=720) -1 -8.049119 7.567348 11.389854 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=720) -1 -6.924199 6.809917 10.740633 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=721) -1 31.374868 8.453010 7.956906 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=721) -1 31.456887 7.650099 8.506791 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=721) -1 32.158628 8.349334 7.371151 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=722) -1 29.389046 7.076861 11.410967 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=722) -1 29.545896 7.861193 11.972142 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=722) -1 29.123286 6.429462 12.107014 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=723) -1 -28.691745 -18.882783 -13.318852 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=723) -1 -29.189161 -18.045873 -13.204047 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=723) -1 -28.066520 -18.601282 -14.031312 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=724) -1 -18.743369 16.289832 -9.279410 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=724) -1 -18.211104 16.389085 -8.456050 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=724) -1 -19.226162 15.456705 -9.053999 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=725) -1 -8.326757 12.390264 13.417189 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=725) -1 -9.023084 11.861774 13.885933 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=725) -1 -7.814142 11.633247 13.025102 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=726) -1 -19.230209 16.547787 1.865285 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=726) -1 -18.784943 16.091555 1.109744 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=726) -1 -18.532598 16.429997 2.550064 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=727) -1 -18.510737 14.092962 12.281327 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=727) -1 -19.422964 13.734622 12.414371 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=727) -1 -18.012414 13.417398 12.811949 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=728) -1 -10.703430 12.544515 3.972039 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=728) -1 -10.424280 13.321593 4.503712 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=728) -1 -11.361217 12.143169 4.573700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=729) -1 -11.645792 8.746196 6.637661 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=729) -1 -11.606922 8.538531 5.682402 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=729) -1 -11.324741 7.889411 7.006278 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=730) -1 -12.485469 19.441922 10.911155 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=730) -1 -13.146500 18.922428 10.399544 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=730) -1 -12.599204 19.075870 11.795859 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=731) -1 -10.323006 6.799872 -6.935960 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=731) -1 -9.449323 6.938493 -7.375780 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=731) -1 -10.667122 6.066814 -7.496189 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=732) -1 -12.192369 -21.521692 4.980036 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=732) -1 -13.136850 -21.550570 5.253291 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=732) -1 -11.753443 -21.568072 5.855526 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=733) -1 -3.244628 -2.768124 20.471835 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=733) -1 -3.575164 -2.228331 21.227664 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=733) -1 -3.419663 -2.140832 19.735217 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=734) -1 2.237159 12.016814 -4.123373 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=734) -1 1.677655 12.116890 -3.312412 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=734) -1 1.549158 11.996183 -4.806269 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=735) -1 -14.701690 31.625311 -4.593275 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=735) -1 -13.949622 31.079722 -4.260817 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=735) -1 -14.997157 32.007136 -3.725064 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=736) -1 30.330933 4.213365 0.191514 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=736) -1 31.147665 4.741947 0.405361 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=736) -1 30.714926 3.654823 -0.529483 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=737) -1 -5.626650 -18.847824 13.320882 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=737) -1 -5.362225 -17.988962 12.897444 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=737) -1 -6.320248 -19.119001 12.673984 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=738) -1 7.580813 -8.382114 7.181945 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=738) -1 6.864901 -7.920523 6.677836 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=738) -1 8.131324 -8.670762 6.409455 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=739) -1 -24.328890 10.291780 6.086361 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=739) -1 -24.386685 9.361240 5.743408 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=739) -1 -23.522166 10.180934 6.651611 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=740) -1 -10.414528 26.502193 -0.492170 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=740) -1 -9.540280 26.707338 -0.082155 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=740) -1 -10.098977 25.940788 -1.243748 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=741) -1 -0.946106 -17.461592 -6.586933 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=741) -1 -0.560638 -18.238703 -7.015891 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=741) -1 -1.883322 -17.530913 -6.885533 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=742) -1 7.932813 1.975821 12.934369 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=742) -1 7.068958 1.565637 12.777336 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=742) -1 7.755577 2.893028 12.602816 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=743) -1 28.953969 10.996572 14.328946 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=743) -1 29.826116 11.060616 14.745552 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=743) -1 28.895592 10.016382 14.196800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=744) -1 -9.660279 2.801396 17.674246 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=744) -1 -9.963401 3.145266 16.808176 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=744) -1 -9.604317 1.840460 17.472206 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=745) -1 1.071576 -5.495973 -7.780695 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=745) -1 1.139689 -4.728340 -7.152896 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=745) -1 2.032878 -5.551680 -8.034892 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=746) -1 19.657107 -14.463523 7.076420 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=746) -1 19.658750 -14.404058 6.087071 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=746) -1 20.608116 -14.209990 7.227145 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=747) -1 33.523536 -0.697741 5.430301 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=747) -1 34.239121 -0.464567 4.792632 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=747) -1 33.570564 0.094008 6.016219 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=748) -1 -20.353295 21.710884 -7.084305 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=748) -1 -21.291755 21.991597 -7.192933 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=748) -1 -20.145768 21.443425 -8.002778 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=749) -1 -11.013810 23.551783 -14.636191 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=749) -1 -10.265502 23.071570 -14.221644 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=749) -1 -10.648177 24.465412 -14.638355 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=750) -1 -9.766779 -2.413954 22.871025 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=750) -1 -9.353292 -1.544149 22.703002 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=750) -1 -10.616088 -2.158788 23.248707 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=751) -1 -29.157922 -12.450521 -8.250020 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=751) -1 -28.653511 -11.599289 -8.286059 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=751) -1 -28.979479 -12.776073 -9.160276 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=752) -1 -27.455509 -6.310449 -5.571125 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=752) -1 -26.692723 -6.345906 -4.954032 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=752) -1 -27.213549 -5.491534 -6.073955 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=753) -1 11.907139 1.959854 14.273971 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=753) -1 11.460252 1.646635 13.445316 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=753) -1 11.100262 2.233722 14.775971 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=754) -1 -1.553206 -2.037760 13.941934 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=754) -1 -1.847717 -1.813103 14.862563 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=754) -1 -0.884822 -2.734159 14.167793 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=755) -1 28.676848 5.543006 -11.492851 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=755) -1 28.118880 6.309600 -11.248565 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=755) -1 28.218621 5.251401 -12.314940 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=756) -1 -0.727862 12.910687 0.602657 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=756) -1 -0.327937 13.496609 -0.062095 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=756) -1 -0.027157 12.214830 0.662960 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=757) -1 28.059365 -7.479615 -2.954330 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=757) -1 28.302831 -8.164770 -2.285830 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=757) -1 27.487358 -8.039319 -3.538292 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=758) -1 -11.318195 -22.528358 -6.949093 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=758) -1 -11.343208 -23.386134 -6.461074 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=758) -1 -12.042317 -22.655552 -7.577366 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=759) -1 -8.750062 -10.354154 19.193407 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=759) -1 -8.034140 -11.034268 19.135958 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=759) -1 -8.321132 -9.745320 19.847577 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=760) -1 3.097464 0.648557 -12.952648 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=760) -1 2.539532 0.138226 -12.326423 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=760) -1 2.978240 1.552828 -12.587469 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=761) -1 14.033665 21.659294 4.560504 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=761) -1 14.647939 22.336750 4.210132 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=761) -1 14.613306 21.240890 5.235628 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=762) -1 22.057755 -13.238058 -2.550876 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=762) -1 22.724456 -13.344429 -3.273152 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=762) -1 22.025149 -12.257878 -2.512449 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=763) -1 -17.304079 16.050255 3.783083 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=763) -1 -17.646555 16.397797 4.639893 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=763) -1 -17.275046 15.084745 4.026096 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=764) -1 9.698114 -16.945163 0.727096 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=764) -1 10.041329 -16.084328 1.080381 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=764) -1 8.843022 -16.606976 0.351985 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=765) -1 -6.818445 6.928885 16.063133 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=765) -1 -6.084120 7.006629 16.724246 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=765) -1 -6.619210 6.021105 15.729303 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=766) -1 -14.714125 28.039808 -14.210165 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=766) -1 -14.112908 27.258553 -14.353357 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=766) -1 -14.032441 28.677792 -13.883628 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=767) -1 13.749121 5.232691 -21.512740 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=767) -1 13.540770 5.874370 -20.806637 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=767) -1 13.218401 4.463036 -21.208615 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=768) -1 -7.588129 9.324177 15.170685 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=768) -1 -8.557404 9.153893 15.247306 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=768) -1 -7.254807 8.436745 15.458883 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=769) -1 -8.877268 19.193615 -5.300479 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=769) -1 -9.192437 18.712184 -6.095960 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=769) -1 -9.340174 18.670716 -4.602347 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=770) -1 -12.563769 -18.570701 8.028245 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=770) -1 -13.294761 -18.921951 7.472536 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=770) -1 -13.105531 -18.083747 8.698977 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=771) -1 -4.741050 -6.880862 -10.447855 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=771) -1 -3.997428 -6.836027 -9.785985 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=771) -1 -4.849027 -5.908885 -10.597177 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=772) -1 11.010942 6.984865 -11.945937 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=772) -1 11.091202 7.820693 -12.465689 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=772) -1 11.825291 7.061950 -11.399761 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=773) -1 -27.109328 23.740779 -2.878727 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=773) -1 -26.671249 24.095015 -2.064415 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=773) -1 -27.922047 23.369528 -2.460816 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=774) -1 -14.849242 11.916107 5.969562 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=774) -1 -13.942037 11.572852 5.748369 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=774) -1 -15.079364 11.252777 6.671926 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=775) -1 15.157680 5.810601 12.646656 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=775) -1 14.600123 5.078390 12.986208 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=775) -1 15.936201 5.288884 12.328955 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=776) -1 -26.513293 4.190634 3.597119 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=776) -1 -25.925958 3.673059 4.196826 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=776) -1 -26.769992 3.476170 2.970879 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=777) -1 -26.333889 22.402376 -5.074906 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=777) -1 -26.644715 23.048262 -4.383015 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=777) -1 -26.737281 21.584407 -4.676931 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=778) -1 9.466727 4.837240 -16.322921 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=778) -1 9.712501 5.678184 -16.795913 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=778) -1 9.985598 4.208765 -16.888522 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=779) -1 9.274589 -16.136609 -6.875550 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=779) -1 10.158105 -15.681879 -6.981934 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=779) -1 9.102770 -16.347226 -7.814346 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=780) -1 35.903135 7.551827 2.229742 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=780) -1 35.749428 8.248353 2.893261 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=780) -1 34.981274 7.430972 1.896732 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=781) -1 -6.403594 -3.347657 21.983239 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=781) -1 -6.994909 -2.760101 21.462970 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=781) -1 -5.744360 -2.687679 22.295047 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=782) -1 -27.465334 20.425460 -3.620994 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=782) -1 -27.029864 20.289613 -2.757686 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=782) -1 -28.403101 20.296811 -3.368235 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=783) -1 23.537423 9.256797 -1.030184 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=783) -1 24.268262 8.743573 -0.639071 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=783) -1 23.642470 9.043603 -1.978828 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=784) -1 6.829021 5.807783 9.871897 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=784) -1 5.971128 5.397562 9.618296 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=784) -1 6.969609 5.383180 10.745047 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=785) -1 -23.763714 3.153799 -6.847348 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=785) -1 -23.135489 3.036046 -6.077465 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=785) -1 -23.754153 2.225274 -7.179486 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=786) -1 3.342035 4.487342 5.069376 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=786) -1 2.949481 4.619467 4.176341 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=786) -1 4.270592 4.262840 4.799128 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=787) -1 7.964439 -15.765390 6.278748 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=787) -1 8.405251 -15.261658 7.001855 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=787) -1 8.754853 -16.204314 5.884148 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=788) -1 -13.920549 1.607384 -13.798177 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=788) -1 -14.157885 1.444916 -12.858137 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=788) -1 -14.725714 1.219541 -14.233523 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=789) -1 27.771392 -12.703463 -10.242679 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=789) -1 26.847863 -12.406762 -10.085546 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=789) -1 27.766403 -12.693840 -11.233275 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=790) -1 -12.010136 -16.027470 -10.925189 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=790) -1 -12.913801 -15.844565 -10.610569 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=790) -1 -12.221274 -16.573978 -11.726873 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=791) -1 -16.804058 -10.142108 -14.372674 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=791) -1 -15.848119 -10.179678 -14.182999 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=791) -1 -17.062173 -9.344866 -13.880147 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=792) -1 26.968365 3.361419 -2.554622 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=792) -1 26.728771 4.161569 -3.075254 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=792) -1 27.178588 3.791363 -1.691175 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=793) -1 1.605925 8.293615 -2.347991 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=793) -1 2.150592 7.460125 -2.309887 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=793) -1 1.108308 8.190467 -1.511724 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=794) -1 12.422441 8.068700 -15.901650 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=794) -1 13.081662 8.801847 -15.876708 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=794) -1 12.899395 7.396578 -15.367544 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=795) -1 7.602979 -15.440265 -0.163188 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=795) -1 7.898956 -14.528277 -0.371911 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=795) -1 6.673510 -15.400225 -0.426906 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=796) -1 37.902358 -4.338208 3.207400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=796) -1 37.698836 -3.588449 3.809972 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=796) -1 37.491432 -5.074199 3.677381 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=797) -1 -8.945055 -15.446955 -1.232707 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=797) -1 -8.646815 -15.461804 -2.171892 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=797) -1 -8.914060 -16.422284 -1.047196 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=798) -1 28.752061 5.447286 7.542967 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=798) -1 28.865813 6.332379 7.114917 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=798) -1 27.833178 5.253662 7.283948 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=799) -1 -12.142200 5.380598 -13.828751 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=799) -1 -11.209270 5.479250 -13.576304 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=799) -1 -12.033899 4.808746 -14.636474 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=801) -1 30.904558 -6.634850 2.181337 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=801) -1 30.327403 -6.869962 1.429760 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=801) -1 30.242108 -6.529376 2.896123 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=802) -1 -7.596708 20.845072 -3.628303 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=802) -1 -7.533781 20.109189 -2.962749 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=802) -1 -8.051191 20.323346 -4.348527 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=803) -1 34.905760 3.326574 5.533643 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=803) -1 35.329169 3.027196 4.692439 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=803) -1 35.045827 4.282345 5.470881 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=804) -1 -8.999561 -23.087985 5.227410 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=804) -1 -9.560349 -23.002658 4.432460 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=804) -1 -9.611022 -22.777408 5.922861 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=805) -1 3.479605 -0.204633 -3.951063 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=805) -1 4.059870 0.362595 -4.510354 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=805) -1 2.700531 0.405637 -3.885564 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=806) -1 -26.445310 -1.647295 6.291930 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=806) -1 -27.100913 -2.320035 6.530981 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=806) -1 -25.625012 -2.211802 6.277284 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=807) -1 -12.081548 5.247919 13.626466 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=807) -1 -12.593624 5.199645 12.780155 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=807) -1 -11.748259 6.185678 13.523119 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=808) -1 6.385583 -0.796796 -11.348296 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=808) -1 6.676334 -1.579976 -11.875236 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=808) -1 6.237924 -1.240821 -10.479908 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=809) -1 -15.515357 29.820286 -7.881816 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=809) -1 -14.664797 29.707466 -7.384745 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=809) -1 -15.157853 30.307111 -8.664797 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=810) -1 13.849512 0.064153 14.699886 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=810) -1 14.454172 0.583961 15.245488 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=810) -1 13.120472 0.709055 14.559387 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=811) -1 -10.717091 -17.200094 -8.812215 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=811) -1 -11.065957 -18.106120 -9.030522 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=811) -1 -11.170066 -16.702796 -9.539761 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=812) -1 -19.375775 -21.819757 1.203115 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=812) -1 -20.105932 -21.805526 0.547930 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=812) -1 -18.620096 -22.027211 0.610255 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=813) -1 -16.485144 -4.902360 12.907338 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=813) -1 -16.584811 -4.234124 12.189794 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=813) -1 -15.775925 -5.457899 12.520550 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=814) -1 -0.596858 -16.736419 -0.253568 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=814) -1 -1.207286 -17.426604 0.087579 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=814) -1 -0.255352 -16.376440 0.590882 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=815) -1 -1.836936 -15.818710 -10.998504 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=815) -1 -2.097102 -14.961870 -11.389223 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=815) -1 -1.007948 -15.534533 -10.527631 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=816) -1 11.777533 9.089299 -13.434567 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=816) -1 11.676872 8.900789 -14.397394 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=816) -1 12.649599 8.613767 -13.296584 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=817) -1 22.637478 -2.863450 -18.341648 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=817) -1 22.514110 -1.919590 -18.538548 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=817) -1 21.867115 -3.028326 -17.755947 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=818) -1 -17.271920 21.261720 -11.222658 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=818) -1 -16.926078 20.435157 -11.638225 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=818) -1 -16.420710 21.660848 -10.929670 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=819) -1 26.419119 11.806243 8.587920 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=819) -1 26.880373 11.012631 8.194553 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=819) -1 25.913138 12.067994 7.775040 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=820) -1 -26.587958 0.270923 -0.376013 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=820) -1 -26.972627 0.933284 0.219234 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=820) -1 -27.041893 0.461050 -1.214905 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=821) -1 -6.081478 0.596244 22.466006 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=821) -1 -5.893345 1.445470 22.001129 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=821) -1 -7.059060 0.587525 22.419764 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=822) -1 -7.939887 7.369452 -8.180491 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=822) -1 -7.578103 6.675041 -8.767381 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=822) -1 -7.095082 7.753650 -7.837314 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=823) -1 -22.634011 3.489422 6.702926 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=823) -1 -21.867176 3.008674 7.095889 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=823) -1 -22.137743 4.265881 6.325741 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=824) -1 17.161786 20.108517 -3.190008 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=824) -1 17.881340 19.926166 -3.838337 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=824) -1 17.013025 19.201264 -2.851099 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=825) -1 11.236499 10.517422 11.032278 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=825) -1 12.159355 10.878788 10.998503 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=825) -1 11.397062 9.624164 10.668783 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=826) -1 25.102363 -5.958868 -15.066727 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=826) -1 25.262191 -5.348321 -14.306731 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=826) -1 24.994475 -5.282793 -15.782311 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=827) -1 -7.598365 25.344934 -8.941325 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=827) -1 -6.921729 24.719161 -8.552665 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=827) -1 -7.696036 25.933786 -8.150636 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=828) -1 -10.682350 13.556234 16.212293 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=828) -1 -9.714513 13.669379 16.331287 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=828) -1 -10.679996 12.696077 15.725618 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=829) -1 -16.264198 15.689919 14.687265 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=829) -1 -15.639211 16.373471 15.009663 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=829) -1 -16.777487 16.200738 14.035052 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=830) -1 -16.330308 30.123301 -13.440496 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=830) -1 -17.203129 29.968843 -13.879222 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=830) -1 -15.860830 29.311115 -13.739562 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=831) -1 -18.201442 4.690572 15.135967 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=831) -1 -18.381172 5.647785 15.142556 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=831) -1 -18.501732 4.452467 14.234188 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=832) -1 -23.874981 23.734679 1.936497 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=832) -1 -23.530546 24.235452 1.169190 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=832) -1 -23.057259 23.296722 2.250327 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=833) -1 34.939854 -2.484613 6.836920 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=833) -1 34.458510 -3.344365 6.779444 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=833) -1 34.319551 -1.926001 6.304554 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=834) -1 -8.732910 -4.830140 21.958431 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=834) -1 -9.219714 -4.049724 22.312321 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=834) -1 -7.812909 -4.498334 22.046127 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=835) -1 -31.556542 -17.583469 -1.966578 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=835) -1 -31.087902 -18.043498 -1.221749 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=835) -1 -31.845198 -18.376393 -2.474173 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=836) -1 -17.343421 12.081174 13.636884 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=836) -1 -17.891827 11.310976 13.905349 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=836) -1 -16.666210 11.610927 13.083808 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=837) -1 0.910820 -0.627028 11.168130 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=837) -1 0.294219 -1.255028 10.757355 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=837) -1 0.334124 0.197099 11.136870 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=838) -1 -18.999417 -0.477431 -1.715726 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=838) -1 -18.338979 -0.779588 -1.066319 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=838) -1 -18.567120 0.335945 -2.050484 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=839) -1 19.679515 16.444274 11.163011 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=839) -1 20.160883 15.643909 10.823438 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=839) -1 18.920266 16.449750 10.561999 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=840) -1 32.817691 9.046874 -0.119295 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=840) -1 32.467810 8.304795 -0.690612 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=840) -1 33.053971 8.486243 0.671194 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=841) -1 -9.755389 12.637241 -6.533752 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=841) -1 -10.559645 12.276701 -6.978785 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=841) -1 -9.121466 11.916248 -6.761811 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=842) -1 -14.082832 28.472053 0.388997 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=842) -1 -13.766467 28.007606 1.197021 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=842) -1 -14.951000 28.038530 0.264523 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=843) -1 8.938121 5.345022 14.403572 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=843) -1 9.757220 5.793957 14.124422 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=843) -1 9.293388 4.529856 14.801930 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=844) -1 -22.923102 -12.633133 -14.423643 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=844) -1 -22.023087 -13.024635 -14.491438 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=844) -1 -22.738849 -11.892452 -13.813942 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=845) -1 6.969500 14.430493 -5.492507 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=845) -1 5.999312 14.312400 -5.360096 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=845) -1 6.951628 14.867687 -6.381441 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=846) -1 13.510232 -16.228977 -10.309611 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=846) -1 13.586011 -16.122812 -9.327112 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=846) -1 12.544529 -16.117236 -10.409648 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=847) -1 -0.952830 1.048180 15.234439 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=847) -1 -0.148077 0.541188 14.972931 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=847) -1 -1.146170 1.466787 14.348701 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=848) -1 -24.782766 6.160386 2.939096 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=848) -1 -25.553410 5.584624 3.143384 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=848) -1 -24.820176 6.791628 3.674163 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=849) -1 10.119384 -13.940520 4.337036 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=849) -1 10.253822 -14.861731 4.669471 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=849) -1 10.421383 -13.440984 5.131267 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=850) -1 -9.520369 11.508762 -3.949254 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=850) -1 -8.626433 11.818170 -3.679760 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=850) -1 -9.703193 12.133756 -4.680813 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=851) -1 -24.355585 -26.805304 -4.707867 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=851) -1 -24.044415 -26.371516 -5.542454 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=851) -1 -23.573684 -26.613306 -4.139911 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=852) -1 -21.100778 22.816524 -11.375310 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=852) -1 -20.739340 22.125674 -10.775511 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=852) -1 -20.497688 22.686189 -12.145393 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=853) -1 -30.171888 -18.814753 -5.748784 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=853) -1 -29.432462 -18.548831 -6.355643 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=853) -1 -30.163643 -18.000785 -5.172034 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=854) -1 5.702617 0.761989 -13.439988 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=854) -1 5.910045 0.191200 -12.658017 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=854) -1 4.714437 0.646425 -13.439616 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=855) -1 -20.259530 23.210426 7.331859 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=855) -1 -20.780372 23.539736 8.109915 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=855) -1 -20.231028 22.254672 7.565377 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=856) -1 -17.906319 17.061083 -11.775298 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=856) -1 -17.351355 16.322354 -12.120666 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=856) -1 -18.157064 16.671923 -10.901942 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=857) -1 3.070057 -5.087242 -2.454842 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=857) -1 2.998020 -4.308837 -3.045612 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=857) -1 2.972130 -4.639554 -1.577361 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=858) -1 -5.681365 5.028488 19.664266 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=858) -1 -6.549082 4.920922 19.205579 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=858) -1 -5.280258 5.716831 19.092332 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=859) -1 7.577027 12.234101 -3.986485 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=859) -1 8.457356 12.388181 -3.558439 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=859) -1 7.461055 13.111373 -4.422094 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=860) -1 -11.692319 9.979000 -3.793668 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=860) -1 -11.638494 9.692961 -4.737090 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=860) -1 -10.884037 10.560842 -3.775401 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=861) -1 -12.215459 27.252391 -8.175336 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=861) -1 -12.849916 26.586179 -8.529413 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=861) -1 -11.834616 26.726624 -7.430381 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=862) -1 -11.971486 13.244904 -13.886795 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=862) -1 -11.542231 12.611411 -14.479293 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=862) -1 -12.403783 12.627653 -13.246992 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=863) -1 32.881935 -0.356372 12.954990 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=863) -1 32.824496 0.619108 12.940726 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=863) -1 33.751122 -0.477415 12.502650 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=864) -1 -14.873502 -21.329245 5.523314 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=864) -1 -14.951441 -20.605755 6.198083 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=864) -1 -15.753158 -21.759747 5.674855 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=865) -1 1.812192 -13.171416 -1.487013 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=865) -1 1.787575 -13.320748 -0.507646 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=865) -1 1.200749 -13.891819 -1.768460 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=866) -1 -26.861181 -12.610329 -0.204203 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=866) -1 -25.969322 -12.482085 -0.614104 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=866) -1 -26.998079 -11.683628 0.120349 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=867) -1 9.419547 2.657761 15.133583 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=867) -1 8.884626 2.369657 14.359061 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=867) -1 8.857763 2.368610 15.865363 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=868) -1 -8.319831 -0.003553 12.392028 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=868) -1 -7.760251 -0.224027 11.606377 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=868) -1 -7.683245 0.555169 12.886147 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=869) -1 16.018069 20.329451 5.912808 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=869) -1 16.402188 20.120777 5.035155 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=869) -1 15.988472 19.438049 6.313984 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=870) -1 35.457574 -5.883105 0.281200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=870) -1 34.913214 -5.770279 -0.523737 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=870) -1 34.838911 -6.387800 0.847409 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=871) -1 -13.073334 11.430653 14.430810 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=871) -1 -13.896089 11.928890 14.605599 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=871) -1 -13.439240 10.608304 14.041456 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=872) -1 -2.325750 -1.182931 16.351541 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=872) -1 -1.931225 -0.294288 16.273620 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=872) -1 -2.881223 -1.084510 17.143216 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=873) -1 -0.566822 -7.554008 -7.551339 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=873) -1 0.026295 -6.760986 -7.651640 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=873) -1 -0.139811 -8.160141 -8.176923 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=874) -1 -20.498286 9.177492 0.099594 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=874) -1 -20.865994 9.092131 1.021795 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=874) -1 -21.149897 8.641778 -0.382935 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=875) -1 -25.409558 22.089500 -7.584824 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=875) -1 -25.813338 22.253206 -6.697924 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=875) -1 -26.007263 21.413856 -7.931637 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=876) -1 13.616091 -11.011131 9.307768 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=876) -1 13.345039 -10.375733 9.992258 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=876) -1 14.346923 -11.476903 9.804345 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=877) -1 27.799705 1.370869 15.365526 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=877) -1 27.675908 0.387168 15.308497 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=877) -1 27.002106 1.644794 14.857950 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=878) -1 -17.373765 13.616683 4.889786 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=878) -1 -17.271996 12.689397 4.583836 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=878) -1 -17.007226 13.538303 5.796931 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=879) -1 -8.045205 22.627268 -1.519210 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=879) -1 -8.065422 21.861704 -0.887006 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=879) -1 -7.860019 22.118744 -2.347230 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=880) -1 -21.533376 9.012753 10.232464 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=880) -1 -21.217646 9.448436 11.062235 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=880) -1 -21.129113 8.124287 10.356430 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=881) -1 -26.636843 16.707564 -0.740719 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=881) -1 -26.547827 15.974471 -1.365312 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=881) -1 -25.845614 16.561502 -0.171434 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=882) -1 24.879555 -11.960299 5.003667 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=882) -1 24.494056 -12.671414 4.430746 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=882) -1 24.635901 -12.326945 5.886204 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=883) -1 16.032235 3.825376 -21.769460 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=883) -1 16.510039 4.255230 -21.024364 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=883) -1 15.241401 4.413323 -21.817725 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=884) -1 10.700644 12.971301 -0.177330 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=884) -1 11.427183 13.618565 -0.013553 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=884) -1 10.187123 13.099366 0.653207 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=885) -1 -15.377910 11.007848 12.234278 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=885) -1 -15.128536 11.225742 11.316664 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=885) -1 -14.750145 10.281275 12.429738 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=886) -1 -1.850497 -10.157767 15.025602 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=886) -1 -1.995030 -11.135111 15.060407 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=886) -1 -0.911583 -10.161876 14.706153 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=887) -1 21.681753 0.259089 15.671817 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=887) -1 21.789441 -0.534636 15.115471 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=887) -1 22.501105 0.258285 16.182455 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=888) -1 -10.973427 25.291398 1.913476 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=888) -1 -10.960634 25.754160 1.041232 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=888) -1 -10.147044 24.762600 1.815469 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=889) -1 25.690326 -13.389365 12.325755 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=889) -1 25.157392 -13.171783 11.539382 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=889) -1 25.493654 -12.620410 12.900374 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=890) -1 6.384015 3.372930 -10.098271 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=890) -1 6.120390 3.521078 -11.036506 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=890) -1 7.070583 2.678543 -10.238034 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=891) -1 -4.489259 -10.882478 14.977637 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=891) -1 -3.686219 -10.343382 14.806721 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=891) -1 -4.090874 -11.781809 14.920891 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=892) -1 -29.765379 -14.263851 -6.406901 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=892) -1 -29.665978 -15.002494 -7.053777 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=892) -1 -29.546577 -13.509612 -7.020146 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=893) -1 -6.540593 -0.271249 -13.231744 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=893) -1 -6.748958 0.507517 -13.782107 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=893) -1 -7.284217 -0.206936 -12.575671 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=894) -1 -18.042694 7.550653 14.642826 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=894) -1 -17.065891 7.457435 14.657776 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=894) -1 -18.206337 7.322996 13.692691 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=895) -1 25.235452 -10.081011 10.196121 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=895) -1 24.930235 -10.966986 10.476489 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=895) -1 25.240762 -9.612735 11.060480 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=896) -1 11.442695 6.374250 13.383628 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=896) -1 12.044382 6.921735 12.814114 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=896) -1 11.594879 6.863128 14.240451 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=897) -1 -14.109242 -15.111160 18.038531 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=897) -1 -14.088761 -15.926281 18.593624 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=897) -1 -13.336637 -14.637528 18.420704 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=898) -1 20.053613 -14.145909 4.412211 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=898) -1 19.833203 -13.209402 4.218215 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=898) -1 19.785684 -14.550915 3.545881 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=899) -1 9.300069 10.957351 3.063252 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=899) -1 9.321805 11.891055 2.778580 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=899) -1 9.932994 10.555363 2.442354 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=900) -1 -25.421131 -10.478583 -10.149948 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=900) -1 -25.524543 -11.363958 -10.577292 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=900) -1 -24.492149 -10.280848 -10.451179 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=901) -1 27.949709 5.816611 -6.217417 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=901) -1 27.689269 5.017037 -6.734020 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=901) -1 27.800073 6.505874 -6.909283 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=902) -1 -26.631201 -9.914011 0.318449 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=902) -1 -27.273420 -9.193520 0.242628 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=902) -1 -25.803881 -9.394959 0.477107 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=903) -1 34.026715 1.365153 7.128414 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=903) -1 33.487603 1.883041 7.759109 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=903) -1 34.368565 2.103662 6.560227 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=904) -1 -12.436113 19.615208 6.253464 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=904) -1 -11.544162 19.518183 5.870720 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=904) -1 -12.219116 19.905280 7.161399 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=905) -1 33.496876 -7.215872 1.767107 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=905) -1 32.570976 -6.958578 2.021399 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=905) -1 33.882868 -7.276823 2.676058 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=906) -1 -26.428946 23.047929 1.974781 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=906) -1 -25.502700 23.410107 2.061444 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=906) -1 -26.268048 22.176532 2.423040 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=907) -1 2.579629 -15.299429 10.702566 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=907) -1 1.995040 -15.415611 9.905417 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=907) -1 2.765835 -16.231404 10.903297 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=908) -1 -22.941893 13.136837 0.746249 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=908) -1 -22.232955 13.655007 0.298390 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=908) -1 -22.688096 12.234709 0.499051 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=909) -1 13.573731 -18.198779 -4.775105 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=909) -1 12.643144 -18.108417 -5.089404 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=909) -1 13.427817 -18.909085 -4.094851 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=910) -1 9.289134 -6.429439 8.075784 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=910) -1 8.598430 -7.087348 7.863477 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=910) -1 8.759151 -5.606011 8.094493 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=911) -1 -27.819722 -16.159473 -10.503876 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=911) -1 -27.789970 -17.159021 -10.578306 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=911) -1 -26.830363 -16.032349 -10.358846 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=912) -1 12.164910 7.682422 15.590080 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=912) -1 13.009015 7.187333 15.737688 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=912) -1 12.514132 8.602460 15.692898 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=913) -1 -26.009919 24.299876 -0.491477 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=913) -1 -25.113801 24.640066 -0.295722 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=913) -1 -26.236338 23.885162 0.365081 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=914) -1 -1.779692 12.802824 3.232534 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=914) -1 -2.068258 11.917578 2.891763 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=914) -1 -1.418420 13.170140 2.392088 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=915) -1 19.237244 -17.218949 -8.975307 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=915) -1 19.826574 -17.242309 -9.760884 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=915) -1 19.688052 -16.535004 -8.439459 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=916) -1 -6.304321 10.841074 -5.536940 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=916) -1 -5.502084 10.566318 -5.019625 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=916) -1 -6.646580 11.527692 -4.916144 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=917) -1 24.108999 -12.717679 10.106875 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=917) -1 24.167469 -12.649877 9.123589 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=917) -1 23.471190 -13.460376 10.179288 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=918) -1 1.478436 -0.409156 -11.015722 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=918) -1 1.818486 -0.810138 -10.195208 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=918) -1 0.659233 -0.934821 -11.147837 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=919) -1 26.727333 -9.384583 -4.380526 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=919) -1 26.078665 -10.061813 -4.070871 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=919) -1 26.574626 -9.457614 -5.354656 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=920) -1 -11.021971 26.044053 -5.975139 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=920) -1 -10.239567 25.558510 -5.621644 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=920) -1 -11.583470 25.278587 -6.235156 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=921) -1 -21.752176 22.327877 3.003456 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=921) -1 -21.243651 22.802235 3.702901 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=921) -1 -22.272804 21.711484 3.568709 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=922) -1 -4.901763 -7.789686 20.929274 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=922) -1 -3.976517 -8.089887 20.756641 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=922) -1 -4.728282 -6.829778 21.076873 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=923) -1 30.172037 2.483019 15.976829 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=923) -1 30.515318 1.685282 16.452516 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=923) -1 29.269623 2.134623 15.751300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=924) -1 -18.739368 10.736512 -7.835694 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=924) -1 -19.606406 11.058017 -8.187789 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=924) -1 -18.989998 9.799688 -7.655340 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=925) -1 12.608800 -17.193784 6.594337 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=925) -1 13.146852 -17.942389 6.893848 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=925) -1 13.171161 -16.854656 5.854981 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=926) -1 -20.571662 6.591702 -14.719648 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=926) -1 -20.038939 5.870863 -15.129452 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=926) -1 -21.469277 6.186853 -14.803279 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=927) -1 -13.575232 8.616546 -8.117525 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=927) -1 -13.541519 8.825698 -7.161980 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=927) -1 -14.420121 8.103201 -8.145431 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=929) -1 -30.019952 -24.710154 -5.331318 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=929) -1 -29.601562 -25.609120 -5.300208 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=929) -1 -29.875969 -24.513134 -6.290794 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=930) -1 23.664520 -7.856107 -16.402183 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=930) -1 22.741996 -7.870056 -16.076491 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=930) -1 24.063490 -7.209835 -15.777687 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=931) -1 -23.359214 25.158286 -0.357723 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=931) -1 -22.626625 25.788908 -0.167571 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=931) -1 -23.403718 25.224361 -1.324907 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=932) -1 -15.504576 4.231437 12.957822 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=932) -1 -16.044620 3.810737 12.246278 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=932) -1 -14.738688 4.530972 12.411695 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=933) -1 -28.724864 18.410306 -0.646278 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=933) -1 -27.998848 17.739450 -0.694078 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=933) -1 -28.482797 18.846115 0.200797 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=934) -1 0.428346 -3.259488 -9.412293 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=934) -1 0.573767 -4.106323 -8.944870 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=934) -1 1.091193 -2.693723 -8.958252 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=935) -1 -9.237509 22.284639 -13.006043 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=935) -1 -8.760280 22.645011 -12.226190 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=935) -1 -10.075339 22.001369 -12.584088 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=936) -1 -25.886368 0.955948 7.034196 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=936) -1 -26.075305 1.302854 6.143693 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=936) -1 -26.094524 0.004382 6.900370 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=937) -1 21.497765 15.102093 -1.922613 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=937) -1 20.676613 15.639824 -2.001911 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=937) -1 21.791241 15.345680 -1.032957 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=938) -1 -28.335545 -23.480576 -3.605026 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=938) -1 -28.936413 -23.992615 -4.200908 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=938) -1 -29.005065 -22.884255 -3.189584 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=939) -1 24.312340 -0.995351 -12.619994 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=939) -1 24.978844 -1.351372 -12.004011 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=939) -1 23.487367 -1.342986 -12.218550 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=940) -1 23.742449 12.214064 12.041952 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=940) -1 22.767000 12.182178 12.222802 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=940) -1 23.766879 13.087346 11.574334 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=941) -1 3.221947 -1.932123 11.866881 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=941) -1 2.437554 -1.409549 11.580700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=941) -1 3.589532 -2.171406 10.989123 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=942) -1 -25.952378 4.654672 -6.748873 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=942) -1 -25.190965 4.022974 -6.798250 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=942) -1 -26.664462 4.011743 -6.513140 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=943) -1 23.413165 16.183373 13.037819 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=943) -1 24.306405 15.761008 13.124646 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=943) -1 23.617669 17.080319 13.338822 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=944) -1 -3.425281 4.798693 16.585024 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=944) -1 -3.783631 3.882663 16.632133 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=944) -1 -2.616854 4.610095 16.036547 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=945) -1 -9.609371 -14.889470 -11.828338 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=945) -1 -9.168331 -15.035878 -10.960519 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=945) -1 -10.506178 -15.237540 -11.611540 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=946) -1 14.477136 6.286274 15.441023 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=946) -1 14.090004 5.441381 15.117660 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=946) -1 15.085905 6.487190 14.707073 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=947) -1 -4.796468 -4.106488 -10.828101 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=947) -1 -3.822629 -4.013569 -10.971325 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=947) -1 -5.030903 -3.143148 -10.784622 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=948) -1 -17.175374 1.684054 -17.281817 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=948) -1 -18.142637 1.698071 -17.168751 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=948) -1 -16.946702 2.595229 -16.987974 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=949) -1 22.306461 11.562908 -0.537170 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=949) -1 22.723478 11.760222 0.346554 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=949) -1 22.766121 10.696218 -0.708564 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=950) -1 -3.196458 -16.941532 -13.084911 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=950) -1 -2.628193 -16.725963 -12.309950 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=950) -1 -2.698001 -17.665872 -13.485360 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=951) -1 -24.069968 -5.384245 0.969827 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=951) -1 -24.100262 -4.614788 1.583204 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=951) -1 -23.193755 -5.750679 1.203127 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=952) -1 -8.479352 10.240110 -7.089228 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=952) -1 -7.671198 10.418162 -6.548094 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=952) -1 -8.150342 9.502774 -7.639743 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=953) -1 -21.170687 11.581911 -8.721145 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=953) -1 -21.345406 10.703967 -9.149839 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=953) -1 -21.871928 11.560285 -8.032118 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=954) -1 27.200561 -13.909578 -7.904598 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=954) -1 27.652317 -13.538370 -8.706233 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=954) -1 26.580497 -14.527748 -8.365984 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=955) -1 -12.276601 -19.230495 14.330618 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=955) -1 -12.019760 -20.023966 13.798894 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=955) -1 -11.943860 -18.532245 13.704411 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=956) -1 20.733552 -17.029115 -11.327165 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=956) -1 19.898061 -16.612264 -11.691670 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=956) -1 20.981673 -17.533337 -12.145764 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=957) -1 3.390065 9.851903 -0.223727 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=957) -1 4.295209 9.548811 0.011242 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=957) -1 3.490042 9.927123 -1.196806 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=958) -1 26.757544 -11.217458 -1.356432 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=958) -1 26.596184 -12.117839 -1.042405 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=958) -1 26.123250 -11.169855 -2.110171 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=959) -1 -3.753717 -17.028089 9.919761 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=959) -1 -4.219324 -16.789204 10.762544 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=959) -1 -4.561991 -17.111529 9.336423 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=960) -1 3.800222 3.815085 -9.319810 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=960) -1 4.770843 3.691556 -9.411387 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=960) -1 3.712048 3.829741 -8.346676 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=961) -1 29.219462 -10.388433 -4.104465 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=961) -1 28.300982 -10.024698 -4.195515 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=961) -1 29.156080 -11.087985 -4.804476 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=962) -1 25.578193 10.078962 -10.937800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=962) -1 24.814349 9.625368 -11.375109 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=962) -1 25.191913 10.988716 -10.878007 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=963) -1 -10.072948 -23.154832 -3.388390 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=963) -1 -9.145208 -22.834804 -3.344149 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=963) -1 -9.991924 -23.951948 -2.801183 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=964) -1 7.591555 4.519533 12.185012 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=964) -1 8.499775 4.661934 11.786271 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=964) -1 7.767288 4.967617 13.052694 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=965) -1 -20.421620 21.507713 0.803337 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=965) -1 -20.878047 21.659235 1.662147 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=965) -1 -19.562236 21.158134 1.123334 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=966) -1 -8.172278 -9.348602 -12.951442 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=966) -1 -7.584853 -8.547701 -12.925372 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=966) -1 -7.473496 -10.022485 -12.720973 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=967) -1 -6.670242 -17.600456 -3.782255 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=967) -1 -7.150094 -18.139083 -4.470725 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=967) -1 -7.339115 -16.881410 -3.682324 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=968) -1 -14.741929 4.236128 -14.000479 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=968) -1 -14.429372 3.302225 -14.029727 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=968) -1 -13.878752 4.700247 -14.038815 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=969) -1 -25.272007 18.117822 2.617495 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=969) -1 -25.196385 17.478471 3.371153 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=969) -1 -25.274681 17.465151 1.874252 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=970) -1 -10.308661 -25.403930 -2.017970 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=970) -1 -10.720196 -25.471478 -1.126317 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=970) -1 -10.979769 -25.897332 -2.543125 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=971) -1 1.124181 -15.666012 8.521038 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=971) -1 1.322314 -15.857531 7.576926 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=971) -1 0.190943 -15.979911 8.560616 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=972) -1 -9.314188 -14.834809 13.009541 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=972) -1 -9.630236 -15.321448 13.798905 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=972) -1 -8.519402 -15.383959 12.790824 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=973) -1 -15.610984 1.839751 18.318211 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=973) -1 -15.821964 0.915843 18.045794 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=973) -1 -15.427816 1.683859 19.275120 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=974) -1 32.213377 2.192214 9.129931 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=974) -1 31.902883 1.257490 9.079219 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=974) -1 31.577630 2.591419 8.473584 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=975) -1 3.660070 9.946354 -3.024807 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=975) -1 3.241157 10.702591 -3.499028 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=975) -1 2.874171 9.360789 -2.926125 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=976) -1 -15.255859 13.201748 15.034146 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=976) -1 -16.015303 12.719194 14.625406 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=976) -1 -15.631715 14.120370 14.985510 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=977) -1 36.619688 4.902377 1.989205 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=977) -1 36.518258 5.877649 2.062319 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=977) -1 36.090622 4.742762 1.171928 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=978) -1 -18.860041 4.182453 12.441977 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=978) -1 -18.146035 3.741785 11.915557 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=978) -1 -19.625523 3.990882 11.851449 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=979) -1 -14.313614 1.477699 20.691956 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=979) -1 -13.716673 2.215153 20.937158 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=979) -1 -13.657715 0.806095 20.417746 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=980) -1 -6.756080 -2.696489 -14.377430 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=980) -1 -6.310641 -2.507099 -15.217115 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=980) -1 -6.644134 -1.828677 -13.916829 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=981) -1 -28.085622 -18.073538 -7.315758 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=981) -1 -27.181824 -17.817322 -7.617552 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=981) -1 -28.601076 -17.330753 -7.714714 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=982) -1 23.573922 14.634637 -9.276782 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=982) -1 23.701849 14.794772 -8.316994 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=982) -1 22.615141 14.859914 -9.356791 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=983) -1 35.708499 -0.054434 3.934888 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=983) -1 35.580597 -0.034830 2.950780 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=983) -1 36.000006 0.881135 4.055578 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=984) -1 -19.574918 30.065203 -6.026250 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=984) -1 -18.612907 30.296891 -5.906055 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=984) -1 -19.871907 30.853387 -6.507151 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=985) -1 -1.121769 9.851663 -2.290743 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=985) -1 -0.999101 9.443586 -3.172376 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=985) -1 -0.864476 9.099261 -1.713453 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=986) -1 -26.188416 -3.182981 -12.279385 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=986) -1 -26.732854 -2.989755 -11.490962 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=986) -1 -25.938730 -4.123176 -12.071006 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=987) -1 6.583163 -10.032933 3.940683 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=987) -1 6.225620 -9.140355 3.717856 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=987) -1 7.468566 -9.755258 4.284191 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=988) -1 7.872996 1.006643 -14.997704 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=988) -1 8.372358 0.301934 -14.516890 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=988) -1 7.004399 0.917959 -14.525820 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=989) -1 -5.779431 8.629491 -7.199471 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=989) -1 -5.798344 9.432886 -6.641427 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=989) -1 -4.834920 8.379000 -7.118070 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=990) -1 -5.772491 -13.200955 -13.946781 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=990) -1 -6.741917 -13.224285 -13.712709 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=990) -1 -5.847942 -13.067177 -14.906349 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=991) -1 17.618616 4.723973 -19.720545 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=991) -1 17.425366 5.145526 -18.842642 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=991) -1 18.369631 5.269402 -20.004128 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=992) -1 -10.316866 17.675080 -7.142647 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=992) -1 -11.197891 18.022006 -6.872827 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=992) -1 -10.419081 16.737186 -6.834089 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=993) -1 22.977309 10.794864 6.306361 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=993) -1 23.763839 11.384143 6.366637 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=993) -1 23.446533 9.947532 6.071756 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=994) -1 29.746259 -3.902934 12.352758 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=994) -1 29.527033 -3.338491 13.133580 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=994) -1 30.462372 -3.344005 11.961621 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=995) -1 13.360592 7.765649 12.000525 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=995) -1 13.777839 8.557737 12.416667 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=995) -1 14.087682 7.111541 12.155266 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=996) -1 5.648028 3.400762 -12.748556 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=996) -1 5.673953 2.451160 -13.021664 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=996) -1 6.354724 3.746269 -13.347434 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=997) -1 -16.133203 15.181239 -12.698246 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=997) -1 -15.443996 14.741822 -12.133199 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=997) -1 -16.524242 14.396217 -13.117823 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=998) -1 -12.452890 10.964597 5.391137 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=998) -1 -12.188790 10.285822 6.066812 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=998) -1 -12.292035 10.406332 4.581135 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=999) -1 -23.471024 11.183934 9.736899 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=999) -1 -23.245102 10.478551 10.378584 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=999) -1 -23.019423 10.809622 8.935438 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1000) -1 -2.876893 -6.513263 -8.579891 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1000) -1 -2.079342 -6.978618 -8.240137 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1000) -1 -2.907113 -5.763642 -7.937239 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1002) -1 -19.851450 1.604241 -16.177518 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1002) -1 -20.031000 0.638890 -16.330101 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1002) -1 -19.327429 1.508186 -15.330270 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1003) -1 -20.594533 -5.297895 -14.170963 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1003) -1 -20.003959 -5.367955 -13.385974 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1003) -1 -20.002317 -4.760276 -14.756773 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1004) -1 -8.634872 -15.367415 -9.290635 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1004) -1 -9.344233 -14.729007 -9.030388 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1004) -1 -9.084656 -16.207143 -9.046548 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1005) -1 10.838389 5.907801 8.948164 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1005) -1 10.037444 5.956474 8.387771 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1005) -1 11.117983 4.975518 8.755532 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1006) -1 -24.737002 -1.399206 0.601964 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1006) -1 -25.451452 -0.816726 0.229993 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1006) -1 -24.820049 -2.151033 -0.034645 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1007) -1 -21.159753 8.842806 2.622102 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1007) -1 -21.553981 8.154332 3.216536 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1007) -1 -20.388702 9.099150 3.178225 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1008) -1 13.040621 -15.723476 2.125266 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1008) -1 13.558185 -15.048623 1.633450 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1008) -1 12.129988 -15.372626 1.982771 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1009) -1 -0.786976 -7.060484 18.581813 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1009) -1 -1.369844 -6.283253 18.785469 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1009) -1 -1.359994 -7.501886 17.906409 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1010) -1 -18.802890 -7.420844 15.966376 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1010) -1 -18.619488 -7.131716 15.034496 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1010) -1 -18.266383 -8.252919 15.961170 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1011) -1 -25.932553 -20.311934 -9.187378 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1011) -1 -25.758373 -19.378282 -8.919357 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1011) -1 -26.572888 -20.564997 -8.485557 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1012) -1 -27.101454 -2.632316 -9.699196 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1012) -1 -26.180626 -2.966492 -9.564402 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1012) -1 -27.357794 -2.533326 -8.740717 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1013) -1 4.647543 -7.199791 -1.656683 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1013) -1 5.404605 -6.619263 -1.406069 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1013) -1 4.089686 -6.516947 -2.115103 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1014) -1 -20.389721 -1.014060 -16.288572 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1014) -1 -20.917867 -1.297043 -15.502772 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1014) -1 -20.662600 -1.712244 -16.924774 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1015) -1 13.519378 0.912038 -19.031558 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1015) -1 12.698356 0.742284 -18.502070 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1015) -1 14.097058 0.222509 -18.597262 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1016) -1 36.116396 2.582085 3.230120 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1016) -1 36.408615 3.432838 2.810042 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1016) -1 35.973118 2.050607 2.415000 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1017) -1 20.938581 7.851611 -12.501670 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1017) -1 21.030000 6.870813 -12.449791 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1017) -1 20.480657 7.917015 -13.377641 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1018) -1 -2.665845 -16.647990 13.464010 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1018) -1 -2.603857 -17.636266 13.370007 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1018) -1 -3.549342 -16.528491 13.022673 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1019) -1 -22.361373 7.740636 -4.405644 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1019) -1 -21.717827 7.083120 -4.749147 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1019) -1 -23.179551 7.190606 -4.419606 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1020) -1 23.290331 11.930886 1.893456 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1020) -1 22.681077 11.899489 2.674078 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1020) -1 24.143864 11.817094 2.330601 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1021) -1 9.254633 -4.428258 -14.895274 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1021) -1 10.196372 -4.351905 -14.629693 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1021) -1 8.908131 -4.963318 -14.147270 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1022) -1 19.456115 -14.138619 9.852031 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1022) -1 20.388119 -14.401314 10.033933 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1022) -1 19.439813 -14.273368 8.877482 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1023) -1 -5.572997 3.225904 -11.041304 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1023) -1 -4.700806 3.445212 -11.467570 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1023) -1 -5.340997 2.317543 -10.723109 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1024) -1 20.627202 15.926735 13.636619 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1024) -1 21.588429 15.964891 13.462626 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1024) -1 20.283315 16.269785 12.778132 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1025) -1 21.663388 -14.216194 1.524692 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1025) -1 21.541656 -13.815966 0.653520 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1025) -1 20.736485 -14.492082 1.733437 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1026) -1 14.879273 -4.676232 15.731564 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1026) -1 15.698705 -5.036870 15.334093 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1026) -1 14.661301 -3.971117 15.083526 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1027) -1 12.687420 13.540687 14.073764 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1027) -1 13.342677 13.131856 13.453359 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1027) -1 11.868375 13.104313 13.739381 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1028) -1 -15.449765 15.952632 6.365107 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1028) -1 -16.040653 15.282581 6.790187 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1028) -1 -15.095854 15.392505 5.629365 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1029) -1 1.787791 7.664454 3.927915 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1029) -1 2.397588 7.634580 4.695365 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1029) -1 1.958411 6.778382 3.540130 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1030) -1 -18.066839 25.494539 -1.236037 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1030) -1 -18.762992 25.873616 -1.827549 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1030) -1 -18.646491 24.921870 -0.673178 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1031) -1 17.409065 10.737815 13.217509 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1031) -1 18.364098 10.493920 13.265015 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1031) -1 17.446639 11.303605 12.403130 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1032) -1 -17.710289 -14.534110 -16.378697 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1032) -1 -18.420071 -15.019855 -15.897133 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1032) -1 -17.698950 -13.705681 -15.843368 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1033) -1 -28.244576 -20.624809 -0.995533 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1033) -1 -27.603868 -20.298564 -1.671033 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1033) -1 -27.656408 -21.277825 -0.532499 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1034) -1 -22.287327 2.401331 -14.958331 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1034) -1 -22.537742 1.617375 -14.431182 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1034) -1 -21.521309 2.054082 -15.454882 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1035) -1 0.254541 -15.288572 -2.402184 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1035) -1 0.017043 -15.845511 -1.616268 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1035) -1 -0.418044 -15.636880 -3.036386 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1036) -1 -15.850340 27.311583 3.555752 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1036) -1 -15.081364 27.183658 2.956167 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1036) -1 -15.375669 27.301851 4.418777 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1037) -1 5.894740 5.708975 6.434130 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1037) -1 6.819376 5.934434 6.654879 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1037) -1 6.035184 5.115295 5.660204 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1038) -1 -11.766257 26.025673 -11.367768 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1038) -1 -12.108402 26.937794 -11.359243 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1038) -1 -10.818761 26.194033 -11.153390 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1039) -1 12.366359 11.740544 -13.442078 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1039) -1 12.108805 10.791840 -13.344435 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1039) -1 11.466352 12.126125 -13.591472 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1040) -1 12.501135 3.271883 -20.022460 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1040) -1 12.943905 2.408708 -19.837163 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1040) -1 11.764889 3.211764 -19.372652 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1041) -1 -26.419980 0.154591 4.192011 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1041) -1 -25.428356 0.161254 4.178169 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1041) -1 -26.561491 -0.590697 4.815394 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1042) -1 -10.184939 -18.380056 -13.814587 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1042) -1 -9.803387 -19.236954 -13.580858 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1042) -1 -9.415760 -17.785497 -13.626255 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1043) -1 -10.235423 8.701650 15.372622 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1043) -1 -10.175027 7.918885 15.966708 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1043) -1 -10.706678 8.281389 14.607849 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1044) -1 -25.222872 12.225796 7.897094 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1044) -1 -25.067114 11.457730 7.305629 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1044) -1 -24.755874 11.914311 8.703655 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1045) -1 -22.779645 -5.998318 -12.641431 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1045) -1 -22.042452 -5.805030 -13.266157 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1045) -1 -22.372151 -6.742351 -12.140821 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1046) -1 -30.091707 -16.773919 -4.062808 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1046) -1 -30.360754 -15.835370 -4.191341 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1046) -1 -30.663521 -16.998289 -3.289007 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1047) -1 -8.323943 15.538592 3.140054 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1047) -1 -7.589972 14.890646 3.199165 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1047) -1 -8.675500 15.319091 2.250289 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1048) -1 -10.155697 -10.833517 -13.885295 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1048) -1 -10.782960 -10.571780 -13.175320 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1048) -1 -9.387729 -10.252926 -13.626015 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1049) -1 -1.501732 12.258377 7.132111 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1049) -1 -2.017800 11.744046 7.784807 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1049) -1 -0.605608 11.884263 7.277307 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1050) -1 13.563570 18.323757 -5.607399 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1050) -1 13.645421 18.593440 -4.664029 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1050) -1 14.027051 17.454713 -5.563691 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1051) -1 -23.275692 3.894774 2.781293 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1051) -1 -23.794443 3.482951 3.505717 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1051) -1 -23.746329 4.757291 2.709177 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1052) -1 -27.040872 -17.609213 -15.039689 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1052) -1 -27.279021 -16.663318 -14.942435 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1052) -1 -26.084204 -17.519877 -15.254995 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1053) -1 -7.767118 27.402398 -1.884370 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1053) -1 -8.096995 26.522433 -2.173006 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1053) -1 -7.585003 27.211585 -0.940055 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1054) -1 18.798184 -0.130098 -18.528284 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1054) -1 19.747869 -0.106419 -18.265685 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1054) -1 18.789238 0.617931 -19.169482 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1055) -1 -24.507838 16.230497 0.859343 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1055) -1 -24.531353 15.409765 1.408710 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1055) -1 -23.531765 16.364872 0.822275 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1056) -1 11.867122 -3.721023 -14.302086 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1056) -1 11.751825 -2.955979 -14.908595 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1056) -1 12.755188 -4.037295 -14.612762 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1057) -1 23.480719 14.625909 10.789291 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1057) -1 22.524219 14.577470 10.516556 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1057) -1 23.386933 15.287117 11.517257 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1058) -1 29.417280 9.592110 -10.577516 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1058) -1 30.097358 9.310916 -11.224363 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1058) -1 28.720286 8.927890 -10.774264 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1059) -1 -5.299397 2.817665 21.134003 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1059) -1 -5.540886 3.650697 20.655440 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1059) -1 -4.334004 2.858320 21.068482 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1060) -1 -18.972387 10.058634 14.562976 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1060) -1 -19.220609 10.181809 15.492318 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1060) -1 -18.640417 9.125293 14.594872 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1061) -1 -24.958419 4.757317 -9.569055 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1061) -1 -25.412964 4.971263 -8.728475 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1061) -1 -25.084450 3.771102 -9.567701 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1062) -1 9.113804 -14.151693 8.162801 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1062) -1 9.554617 -13.439925 7.643413 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1062) -1 9.921327 -14.685769 8.391857 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1063) -1 21.298854 -0.372110 -17.507269 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1063) -1 20.974697 -1.259493 -17.215870 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1063) -1 21.668985 -0.054038 -16.653362 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1064) -1 35.920044 -1.744487 -0.024853 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1064) -1 36.602249 -2.458932 0.053442 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1064) -1 35.373089 -2.142936 -0.748107 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1065) -1 -17.806355 -18.319851 -15.272904 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1065) -1 -17.068949 -18.876843 -14.931678 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1065) -1 -17.304099 -17.767441 -15.916040 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1066) -1 -7.888674 18.838954 -1.787571 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1066) -1 -7.780683 17.931911 -1.404159 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1066) -1 -7.913512 19.360907 -0.953720 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1067) -1 16.428428 22.809277 3.624730 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1067) -1 16.638426 23.151388 2.744291 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1067) -1 16.671257 21.858503 3.513383 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1068) -1 2.272096 -10.526293 -1.930268 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1068) -1 3.178916 -10.417545 -1.568332 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1068) -1 2.132928 -11.485302 -1.749425 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1069) -1 -19.375250 4.207613 -15.264040 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1069) -1 -19.640140 3.484551 -15.878831 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1069) -1 -19.500316 3.726166 -14.407131 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1070) -1 9.345817 -5.575048 -10.110498 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1070) -1 10.288523 -5.518288 -9.839343 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1070) -1 9.171127 -6.521777 -9.902515 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1071) -1 -8.652210 23.921572 1.079701 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1071) -1 -8.508184 23.495585 0.207310 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1071) -1 -8.293407 23.208347 1.666330 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1072) -1 -13.461564 -7.847596 -14.891109 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1072) -1 -13.856383 -8.557712 -14.331909 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1072) -1 -12.803110 -8.402666 -15.385329 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1073) -1 -15.233730 12.679402 2.507045 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1073) -1 -14.782116 11.969006 1.977306 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1073) -1 -15.563173 13.230551 1.764117 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1074) -1 -11.532444 -19.198624 3.745748 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1074) -1 -11.879280 -20.047804 4.109881 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1074) -1 -11.124198 -18.839695 4.574300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1075) -1 -19.110483 -3.627529 -15.719283 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1075) -1 -19.642904 -3.602530 -16.544288 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1075) -1 -18.974698 -2.675188 -15.569309 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1077) -1 28.769470 5.595197 13.613568 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1077) -1 28.576964 4.722269 13.206526 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1077) -1 29.516420 5.326682 14.207570 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1078) -1 -11.078184 -20.356639 9.449817 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1078) -1 -10.632616 -19.747552 10.092119 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1078) -1 -11.641774 -19.698773 8.981080 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1079) -1 24.402269 11.712640 -3.548708 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1079) -1 24.777958 12.381851 -4.175731 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1079) -1 23.508644 12.108827 -3.420916 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1080) -1 -23.013682 5.710128 -7.172167 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1080) -1 -23.242533 4.745907 -7.231110 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1080) -1 -23.583113 5.945671 -6.400112 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1081) -1 -7.995987 20.023798 -13.892838 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1081) -1 -7.613825 20.217492 -14.756050 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1081) -1 -8.469039 20.860971 -13.693788 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1082) -1 -27.660260 -18.756647 -10.821982 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1082) -1 -28.010107 -19.020786 -11.701489 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1082) -1 -27.128046 -19.534175 -10.588842 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1083) -1 -6.045168 23.545800 -7.802329 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1083) -1 -6.246283 23.164796 -6.925641 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1083) -1 -6.005475 22.738783 -8.353339 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1084) -1 14.861786 -0.932522 -17.619017 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1084) -1 14.782996 -1.263012 -16.698397 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1084) -1 15.675378 -1.435854 -17.888482 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1085) -1 -4.446313 -5.119226 21.248432 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1085) -1 -5.268090 -4.687625 21.579131 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1085) -1 -3.893677 -4.317652 21.104706 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1086) -1 6.419732 -9.446150 1.128380 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1086) -1 6.248393 -8.686873 1.739365 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1086) -1 6.674660 -10.123881 1.787411 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1087) -1 0.246596 9.381803 2.601825 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1087) -1 0.843336 8.713730 3.039144 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1087) -1 0.346993 10.105186 3.281625 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1089) -1 -17.286104 -22.195183 -0.543039 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1089) -1 -16.861808 -21.341844 -0.739352 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1089) -1 -16.535556 -22.656774 -0.092083 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1090) -1 -20.485744 8.723214 6.087538 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1090) -1 -21.015405 8.129637 5.491279 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1090) -1 -20.204003 8.056001 6.753653 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1091) -1 -26.606276 -19.638124 -2.957697 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1091) -1 -27.057329 -18.754597 -3.019864 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1091) -1 -25.768469 -19.335603 -2.524173 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1092) -1 -24.032339 -0.867540 -10.992879 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1092) -1 -24.068926 -1.745382 -10.556820 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1092) -1 -24.921198 -0.527101 -10.776826 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1093) -1 -15.110384 13.763500 -8.826771 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1093) -1 -16.027501 13.385573 -8.925414 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1093) -1 -14.884098 13.836593 -9.784510 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1094) -1 -13.034152 19.508992 -13.883068 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1094) -1 -12.152680 19.065742 -13.973703 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1094) -1 -13.584300 18.698386 -13.726075 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1095) -1 -27.526429 2.562172 -6.053029 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1095) -1 -28.327030 2.218267 -5.601458 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1095) -1 -27.426344 1.860949 -6.745488 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1096) -1 -22.911898 2.477811 10.879607 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1096) -1 -23.441519 2.470840 10.035677 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1096) -1 -23.521875 2.002311 11.460940 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1097) -1 27.384283 12.016321 -6.625220 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1097) -1 27.435756 11.573476 -7.507874 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1097) -1 27.401200 11.198726 -6.057199 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1098) -1 25.168998 -6.527812 -18.333488 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1098) -1 24.551529 -7.020142 -17.755384 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1098) -1 25.084692 -5.628191 -17.965719 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1099) -1 -23.132172 -25.261341 -6.586822 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1099) -1 -22.252365 -25.178717 -7.025620 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1099) -1 -23.070602 -24.500082 -5.965775 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1100) -1 -17.031393 30.798103 -5.868716 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1100) -1 -16.282131 31.173856 -5.350755 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1100) -1 -16.529555 30.467544 -6.651997 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1101) -1 -13.714987 -17.573466 19.143261 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1101) -1 -13.158274 -18.158014 19.670445 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1101) -1 -13.481660 -17.861122 18.229724 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1102) -1 -2.309137 -8.477190 20.421876 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1102) -1 -1.916833 -9.354534 20.331377 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1102) -1 -1.686258 -7.932024 19.896517 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1103) -1 25.505437 7.993572 -5.562836 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1103) -1 24.833216 8.297160 -4.917981 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1103) -1 25.212481 7.075944 -5.716278 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1104) -1 -10.061704 -16.649732 14.868207 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1104) -1 -10.494018 -17.071500 14.075361 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1104) -1 -9.201766 -17.130996 14.844526 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1105) -1 -29.123759 0.377058 -5.301989 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1105) -1 -28.694781 0.344447 -6.188331 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1105) -1 -29.595777 -0.497787 -5.339161 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1106) -1 -22.768069 11.979318 -6.499325 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1106) -1 -23.662929 12.312270 -6.352806 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1106) -1 -22.230335 12.778742 -6.305907 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1107) -1 35.062820 -0.572767 8.770147 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1107) -1 34.758721 0.127693 8.147196 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1107) -1 35.118318 -1.331181 8.142094 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1108) -1 27.265941 4.798048 -13.708978 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1108) -1 27.220429 4.072948 -14.354465 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1108) -1 26.414024 4.614379 -13.210130 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1109) -1 8.522948 -14.492894 -4.886373 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1109) -1 8.680153 -15.177201 -5.581192 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1109) -1 7.554168 -14.477249 -4.867055 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1110) -1 -20.934443 14.596089 -0.381876 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1110) -1 -20.651948 14.556204 -1.331204 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1110) -1 -20.034685 14.612931 0.028655 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1111) -1 -10.805925 19.355501 3.977188 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1111) -1 -10.746488 18.553611 3.427145 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1111) -1 -11.698883 19.676489 3.746105 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1112) -1 22.990139 -16.798570 7.759656 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1112) -1 22.648371 -16.498424 6.892565 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1112) -1 23.923450 -16.939755 7.560210 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1113) -1 -13.655244 27.019151 5.292444 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1113) -1 -13.459718 26.088977 5.573218 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1113) -1 -13.296856 27.504660 6.051536 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1114) -1 -17.424434 -22.196756 5.647057 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1114) -1 -17.828660 -21.683615 4.908655 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1114) -1 -18.094415 -22.873005 5.794220 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1115) -1 17.128369 -15.383194 7.613036 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1115) -1 18.070617 -15.269979 7.359117 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1115) -1 16.874737 -16.112675 6.997998 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1116) -1 16.014522 17.824903 -7.249930 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1116) -1 15.293208 18.440258 -7.024043 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1116) -1 15.697822 17.011986 -6.797034 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1117) -1 -7.215247 10.104018 12.575497 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1117) -1 -7.217226 9.703657 13.471065 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1117) -1 -7.100139 9.303907 12.023666 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1118) -1 10.470873 1.225692 12.127459 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1118) -1 9.546048 1.498497 12.322503 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1118) -1 10.285994 0.402195 11.608212 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1119) -1 -30.926932 -14.153248 -4.064333 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1119) -1 -31.441087 -13.337663 -4.182338 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1119) -1 -30.444225 -14.162484 -4.941629 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1120) -1 15.873989 -17.878594 0.543373 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1120) -1 16.634399 -17.295080 0.784245 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1120) -1 16.223872 -18.226712 -0.317066 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1121) -1 30.738168 6.113778 9.329451 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1121) -1 30.216125 6.552819 10.048329 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1121) -1 30.004841 5.873157 8.722384 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1122) -1 -11.628281 1.109788 -15.090081 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1122) -1 -11.605576 0.134117 -15.000076 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1122) -1 -12.478742 1.290066 -14.609448 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1123) -1 7.791273 -7.616031 -0.433076 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1123) -1 8.109210 -7.987928 -1.287765 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1123) -1 7.456590 -8.427138 -0.003643 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1124) -1 33.577798 1.879482 -0.243263 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1124) -1 32.967511 1.375048 0.350449 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1124) -1 32.916421 2.193563 -0.906969 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1125) -1 -16.793285 27.720998 -0.280679 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1125) -1 -17.096217 26.819018 -0.538247 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1125) -1 -17.554654 27.983868 0.290674 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1126) -1 -8.032689 3.758400 13.578894 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1126) -1 -7.507375 2.965262 13.310154 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1126) -1 -7.476561 4.040279 14.352114 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1127) -1 6.306896 -2.140028 -8.953005 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1127) -1 6.132035 -2.958236 -8.404493 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1127) -1 5.704945 -1.525150 -8.468042 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1128) -1 33.800270 2.023101 11.578954 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1128) -1 33.405956 2.079702 10.686982 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1128) -1 34.409370 1.262953 11.457455 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1129) -1 28.918707 -1.933774 16.853821 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1129) -1 29.046585 -2.037375 15.872290 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1129) -1 27.992862 -1.613309 16.842286 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1130) -1 -7.033066 12.550877 -3.461621 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1130) -1 -7.071564 13.490962 -3.219498 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1130) -1 -6.223482 12.282175 -2.949161 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1131) -1 1.621169 -14.419443 -4.699739 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1131) -1 1.228030 -14.769902 -3.868451 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1131) -1 2.519908 -14.183150 -4.359692 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1132) -1 20.539143 9.504015 -10.471730 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1132) -1 20.639742 8.848916 -11.211561 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1132) -1 21.080685 9.044505 -9.790877 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1133) -1 -20.222376 6.551474 10.315111 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1133) -1 -20.063065 6.607739 9.336191 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1133) -1 -20.499942 5.610276 10.369621 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1134) -1 -28.180150 -5.160287 -8.812757 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1134) -1 -27.675477 -4.759908 -8.060821 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1134) -1 -28.130005 -4.434992 -9.456648 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1136) -1 -9.807139 14.785331 5.226014 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1136) -1 -9.282785 15.209875 4.500789 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1136) -1 -10.588709 15.379827 5.228580 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1137) -1 -4.260812 -9.862274 -10.532550 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1137) -1 -4.203663 -8.916468 -10.779324 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1137) -1 -4.589691 -9.745967 -9.592599 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1138) -1 -28.554539 -26.949976 -5.106696 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1138) -1 -28.069668 -27.667113 -5.563219 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1138) -1 -27.988347 -26.855574 -4.304584 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1139) -1 24.106843 12.400697 -10.794910 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1139) -1 23.136352 12.262107 -10.611748 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1139) -1 24.200427 13.274855 -10.334202 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1140) -1 -16.084160 18.499478 5.904211 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1140) -1 -15.953622 17.554186 6.173112 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1140) -1 -15.294369 18.599028 5.328234 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1141) -1 -11.842590 11.457719 -7.819163 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1141) -1 -11.951935 11.009841 -8.691946 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1141) -1 -11.702914 10.657686 -7.253827 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1142) -1 2.031876 -9.840885 3.672665 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1142) -1 1.548765 -9.615061 4.487398 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1142) -1 2.026581 -10.818882 3.711562 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1143) -1 -7.904425 13.658667 15.820413 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1143) -1 -7.395135 12.946754 16.298202 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1143) -1 -7.923318 13.229828 14.928110 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1144) -1 27.045299 -12.504569 -12.845841 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1144) -1 27.096595 -11.708992 -13.429314 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1144) -1 26.406313 -13.043385 -13.360178 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1145) -1 -14.493033 -25.485310 -0.425540 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1145) -1 -14.830074 -24.691509 0.051883 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1145) -1 -14.604015 -25.161963 -1.356900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1146) -1 14.354046 -4.343417 -15.018155 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1146) -1 15.109759 -4.913148 -15.290462 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1146) -1 14.762355 -3.458995 -15.126506 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1147) -1 -15.212221 21.095670 -14.073653 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1147) -1 -15.756163 20.429522 -13.578931 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1147) -1 -14.402771 20.539197 -14.210663 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1148) -1 -6.301497 -19.708293 9.309898 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1148) -1 -6.792918 -19.398035 10.111358 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1148) -1 -6.101082 -18.815687 8.913356 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1149) -1 15.186978 20.197215 1.007496 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1149) -1 15.032834 20.543475 0.088493 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1149) -1 15.690827 19.370635 0.746540 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1150) -1 18.967608 -8.429020 14.986760 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1150) -1 19.268998 -7.578175 14.571892 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1150) -1 18.739434 -8.933535 14.192895 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1151) -1 21.481666 5.206145 -12.128919 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1151) -1 21.260888 5.255468 -11.170412 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1151) -1 21.521611 4.246843 -12.259358 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1152) -1 10.520792 10.305227 14.855540 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1152) -1 11.461099 10.363345 15.143232 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1152) -1 10.322276 9.383839 15.081619 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1153) -1 -6.725587 -12.059713 18.678312 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1153) -1 -7.102365 -12.485486 17.859171 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1153) -1 -6.663929 -12.882432 19.231887 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1154) -1 -5.634326 -16.580762 -11.835663 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1154) -1 -5.197767 -16.887830 -10.999367 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1154) -1 -4.907899 -16.789133 -12.466603 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1155) -1 1.814085 -16.139719 5.899815 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1155) -1 2.526039 -15.504506 5.626306 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1155) -1 2.247786 -16.980169 5.675422 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1156) -1 34.860921 4.276526 0.027849 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1156) -1 33.995694 4.719607 0.179901 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1156) -1 34.546002 3.359897 -0.142933 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1157) -1 10.585332 -14.617700 1.759473 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1157) -1 10.388945 -13.796550 1.263725 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1157) -1 10.310298 -14.336957 2.665781 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1158) -1 -4.730277 11.901186 -2.270960 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1158) -1 -4.093710 11.721182 -1.548931 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1158) -1 -4.440011 11.223174 -2.925436 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1159) -1 -2.946179 -19.294559 13.011890 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1159) -1 -3.041587 -19.610097 12.081116 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1159) -1 -3.888873 -19.351572 13.291806 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1160) -1 -17.541389 -9.530027 12.510418 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1160) -1 -18.494322 -9.466665 12.226693 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1160) -1 -17.195574 -10.061999 11.762305 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1161) -1 -14.161396 13.952991 -11.369542 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1161) -1 -13.295737 14.366070 -11.155337 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1161) -1 -13.843133 13.059340 -11.657903 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1162) -1 -27.742046 -20.721163 -7.162667 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1162) -1 -27.874527 -19.738832 -7.201642 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1162) -1 -28.687912 -21.000516 -7.163333 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1163) -1 29.432070 13.128406 0.723898 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1163) -1 30.124730 12.456617 0.537242 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1163) -1 29.957388 13.936022 0.768587 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1164) -1 8.129373 -3.923344 7.640497 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1164) -1 7.678960 -3.790781 6.764712 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1164) -1 9.054050 -3.713467 7.357831 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1165) -1 -18.428229 -20.890728 3.520430 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1165) -1 -18.952970 -20.051380 3.499069 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1165) -1 -18.800418 -21.306765 2.695851 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1166) -1 9.978639 14.573965 -11.333730 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1166) -1 10.004984 15.181104 -10.557125 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1166) -1 10.943875 14.348726 -11.382286 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1167) -1 -22.984533 -6.968669 9.951374 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1167) -1 -22.315522 -6.342277 9.569496 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1167) -1 -23.049723 -6.593183 10.849069 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1168) -1 25.477315 13.522735 -5.266995 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1168) -1 26.095981 13.116867 -5.913035 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1168) -1 25.032697 14.182893 -5.841552 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1169) -1 20.823230 -15.629657 -2.841789 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1169) -1 20.670370 -15.878496 -1.902685 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1169) -1 21.248150 -14.746426 -2.705584 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1170) -1 -18.524093 23.559088 2.495180 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1170) -1 -18.193549 22.665669 2.245191 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1170) -1 -19.035589 23.336792 3.301099 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1171) -1 21.460500 4.315603 14.120809 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1171) -1 20.792607 4.746697 13.544704 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1171) -1 22.264525 4.786941 13.847666 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1172) -1 0.338281 11.277466 4.452457 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1172) -1 0.616564 11.356622 5.385347 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1172) -1 -0.162579 12.099520 4.326104 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1173) -1 17.098017 7.458967 -15.092450 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1173) -1 18.034052 7.679510 -14.901626 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1173) -1 16.647785 8.176499 -14.596333 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1174) -1 31.439196 -2.010918 11.409908 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1174) -1 31.955304 -1.484907 12.062799 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1174) -1 31.503384 -1.431797 10.630012 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1175) -1 11.271936 3.256660 -17.567376 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1175) -1 11.385353 2.291620 -17.414979 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1175) -1 12.112022 3.592574 -17.181109 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1176) -1 18.538442 -16.163690 -12.547332 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1176) -1 18.574114 -16.168319 -13.535671 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1176) -1 17.572965 -16.243281 -12.409839 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1177) -1 -8.054886 -13.163900 16.660207 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1177) -1 -8.055758 -14.140593 16.759132 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1177) -1 -8.991141 -12.963288 16.862312 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1178) -1 34.336923 -6.833110 4.322795 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1178) -1 34.235920 -5.899153 4.030818 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1178) -1 34.133811 -6.746080 5.268433 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1179) -1 -29.087263 -4.351867 -4.399151 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1179) -1 -28.424311 -4.315824 -3.664746 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1179) -1 -28.811723 -5.194608 -4.817452 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1180) -1 16.602663 -17.791449 -9.127849 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1180) -1 17.584645 -17.661366 -9.088936 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1180) -1 16.395135 -17.717432 -8.171097 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1181) -1 -8.099815 -15.845993 17.242786 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1181) -1 -9.010135 -16.181168 17.369588 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1181) -1 -7.796736 -16.426350 16.511512 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1182) -1 0.797669 -0.576241 13.908593 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1182) -1 -0.063105 -1.046017 13.817532 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1182) -1 0.972123 -0.382349 12.957946 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1183) -1 -14.556622 9.508292 -13.112350 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1183) -1 -15.349362 9.197145 -13.571325 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1183) -1 -14.182915 8.647705 -12.797890 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1184) -1 -16.661719 17.631535 10.390785 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1184) -1 -17.404185 17.331410 9.806307 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1184) -1 -17.027532 17.344756 11.259452 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1185) -1 -9.123561 -20.919541 -6.865390 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1185) -1 -9.835689 -21.527386 -7.173026 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1185) -1 -8.436238 -21.591821 -6.629237 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1186) -1 -4.163757 10.028926 -4.135070 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1186) -1 -4.037045 9.101813 -3.807415 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1186) -1 -3.356126 10.075413 -4.717949 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1187) -1 -7.399503 -22.693315 -5.819815 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1187) -1 -6.866729 -23.488289 -5.702648 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1187) -1 -7.421435 -22.341724 -4.898793 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1188) -1 -29.934353 20.051905 -2.306113 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1188) -1 -30.696477 19.529923 -2.598489 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1188) -1 -29.509527 19.397479 -1.685803 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1189) -1 -2.178317 -4.123633 -11.567085 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1189) -1 -2.420637 -4.709142 -12.327628 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1189) -1 -1.472497 -4.650949 -11.160417 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1190) -1 1.342475 -3.287619 -6.339478 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1190) -1 1.674228 -2.544621 -6.881078 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1190) -1 1.856240 -3.148753 -5.512566 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1191) -1 -3.536093 10.633053 8.251789 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1191) -1 -4.025063 10.015315 8.841737 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1191) -1 -4.274903 11.243133 8.010633 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1192) -1 25.105208 -8.592799 12.496399 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1192) -1 24.406431 -8.536080 13.194794 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1192) -1 25.433226 -7.664899 12.524055 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1193) -1 -22.724944 4.995472 -14.378683 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1193) -1 -22.624376 4.064186 -14.700827 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1193) -1 -23.172401 4.818205 -13.522643 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1194) -1 14.844636 -20.380124 -1.005732 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1194) -1 14.871716 -20.069764 -0.091132 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1194) -1 15.608400 -19.905084 -1.394967 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1195) -1 -24.561593 2.816448 4.911995 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1195) -1 -23.897768 3.029104 5.610593 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1195) -1 -24.279379 1.884087 4.714405 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1196) -1 -3.007961 3.284020 -11.927197 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1196) -1 -2.193308 3.714728 -12.226509 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1196) -1 -2.677741 2.377828 -11.737604 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1197) -1 22.516536 -4.187202 -12.477283 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1197) -1 22.787277 -4.180345 -11.524596 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1197) -1 22.199373 -3.262774 -12.555427 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1198) -1 24.197892 -9.905045 3.428337 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1198) -1 24.048356 -10.407558 2.612535 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1198) -1 24.510018 -10.631666 4.024701 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1199) -1 29.814290 -7.225030 -0.331682 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1199) -1 29.435338 -8.093641 -0.615176 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1199) -1 30.768453 -7.412335 -0.522575 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1200) -1 -14.116034 17.092239 15.633904 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1200) -1 -13.214347 17.469450 15.603575 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1200) -1 -13.904663 16.205550 16.019155 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1201) -1 -23.391165 18.155741 5.846686 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1201) -1 -23.444546 17.573945 6.651551 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1201) -1 -23.909685 17.569287 5.231911 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1202) -1 22.184114 -14.810607 9.595678 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1202) -1 22.217556 -14.385257 8.693719 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1202) -1 22.453680 -15.719602 9.327568 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1203) -1 21.520558 12.038035 -10.247184 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1203) -1 21.076024 11.165638 -10.334080 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1203) -1 20.780965 12.635763 -10.479298 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1204) -1 29.184921 2.294415 -5.971764 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1204) -1 29.401970 1.561904 -6.596798 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1204) -1 28.512333 2.770195 -6.509078 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1205) -1 22.302871 17.477583 -7.570560 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1205) -1 22.027810 18.400222 -7.337521 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1205) -1 21.421930 17.035709 -7.459992 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1206) -1 -15.981283 -0.737169 17.366241 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1206) -1 -16.366632 -0.375597 16.526751 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1206) -1 -16.621593 -1.490254 17.490185 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1207) -1 26.989531 -0.699166 -8.353634 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1207) -1 26.502210 -1.305041 -8.975412 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1207) -1 26.888244 0.136504 -8.899148 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1208) -1 -6.921383 -19.215367 0.443203 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1208) -1 -6.216247 -18.798725 0.987378 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1208) -1 -7.305140 -19.832316 1.105483 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1209) -1 -1.193989 -15.174651 15.147345 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1209) -1 -1.732115 -15.707604 14.502915 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1209) -1 -1.131277 -15.812445 15.875561 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1210) -1 -19.349236 -4.889274 16.912205 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1210) -1 -20.268261 -5.071737 16.635835 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1210) -1 -18.946611 -5.772552 16.743905 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1211) -1 -11.783351 9.117930 3.612458 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1211) -1 -12.408755 8.811837 2.907592 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1211) -1 -10.986669 9.272204 3.063056 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1212) -1 24.958472 -11.226333 -3.399470 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1212) -1 24.752726 -12.052844 -3.909529 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1212) -1 24.028292 -10.940452 -3.218240 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1213) -1 21.951359 -0.137554 -14.841969 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1213) -1 22.170203 0.483928 -14.120094 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1213) -1 21.211528 -0.634141 -14.444344 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1214) -1 -7.642742 21.900498 2.595143 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1214) -1 -6.729921 21.703964 2.870343 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1214) -1 -8.123629 21.582853 3.411433 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1215) -1 27.731423 4.808615 -0.398940 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1215) -1 27.433764 4.994037 0.521220 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1215) -1 28.670992 4.562617 -0.212448 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1216) -1 6.288393 -3.426674 2.610255 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1216) -1 6.444301 -4.253130 2.093833 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1216) -1 5.452239 -3.127523 2.166393 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1217) -1 8.616858 -8.617250 -2.819233 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1217) -1 8.377859 -8.003197 -3.543210 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1217) -1 9.236666 -9.211155 -3.266128 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1218) -1 -4.379540 0.912572 -10.073903 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1218) -1 -3.494405 0.861067 -10.519826 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1218) -1 -4.082215 1.268692 -9.201079 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1219) -1 25.153719 -1.786133 -9.990905 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1219) -1 24.535748 -1.031817 -9.901617 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1219) -1 24.535573 -2.530111 -10.110064 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1220) -1 13.383615 -4.744073 17.976761 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1220) -1 12.775543 -4.106443 17.586228 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1220) -1 14.033601 -4.851439 17.240771 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1221) -1 -20.481636 -7.568384 7.570807 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1221) -1 -20.634330 -6.739754 8.084411 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1221) -1 -19.802044 -7.259846 6.941121 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1222) -1 -24.302905 -3.213975 6.203578 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1222) -1 -23.813694 -2.655455 5.538846 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1222) -1 -23.585307 -3.848806 6.420399 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1223) -1 27.595750 7.487851 -13.732980 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1223) -1 27.501478 6.516714 -13.896507 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1223) -1 26.817797 7.799027 -14.266634 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1224) -1 -15.643646 6.947670 13.322003 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1224) -1 -16.386711 6.994713 12.678343 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1224) -1 -15.558940 5.968583 13.395527 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1225) -1 15.488377 17.658103 6.663046 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1225) -1 15.405318 17.553037 5.680810 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1225) -1 15.611961 16.722048 6.916826 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1226) -1 -27.604839 0.227804 -3.030995 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1226) -1 -28.255701 0.315645 -3.766708 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1226) -1 -27.524825 -0.739295 -2.982014 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1227) -1 13.286311 -13.354436 7.972942 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1227) -1 14.280830 -13.392683 7.952645 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1227) -1 13.200505 -12.571710 8.578191 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1228) -1 -9.710753 -14.598303 20.718653 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1228) -1 -10.139175 -14.263890 21.515338 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1228) -1 -10.434568 -14.504581 20.058989 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1229) -1 -22.812070 -18.412114 3.449529 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1229) -1 -23.017374 -19.190023 3.990763 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1229) -1 -22.543497 -17.772693 4.154170 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1230) -1 13.251071 4.318573 14.013090 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1230) -1 12.833745 3.432171 14.097842 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1230) -1 12.477564 4.850750 13.738017 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1231) -1 -20.761555 26.119488 -8.716638 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1231) -1 -20.129118 25.383909 -8.888339 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1231) -1 -21.598533 25.668934 -8.969398 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1232) -1 24.889858 -12.726538 -7.040953 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1232) -1 25.718434 -13.234181 -7.205921 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1232) -1 24.732365 -12.379201 -7.944761 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1233) -1 -24.599746 -8.120037 0.694715 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1233) -1 -24.722833 -7.143928 0.692631 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1233) -1 -23.657664 -8.157347 0.981700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1234) -1 -11.639130 -9.989620 16.399345 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1234) -1 -11.932724 -9.405106 15.683659 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1234) -1 -11.303915 -9.324316 17.048933 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1235) -1 -14.444124 17.245028 -13.359934 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1235) -1 -15.100228 16.517015 -13.220799 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1235) -1 -13.616875 16.699355 -13.338713 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1236) -1 -22.625437 24.305887 -9.740372 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1236) -1 -23.430230 24.375634 -10.275427 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1236) -1 -22.047143 23.792529 -10.362048 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1237) -1 -16.689096 4.057074 -16.060244 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1237) -1 -16.089926 4.218921 -15.308730 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1237) -1 -17.551558 4.303386 -15.679030 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1238) -1 -13.157885 14.645076 16.345014 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1238) -1 -13.795211 13.962341 16.047659 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1238) -1 -12.335095 14.102196 16.385075 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1239) -1 8.227227 -1.405746 8.786962 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1239) -1 8.004935 -2.304822 8.457768 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1239) -1 8.081198 -0.887608 7.961569 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1240) -1 22.852471 1.317426 -12.574284 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1240) -1 23.466395 0.545608 -12.667681 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1240) -1 23.492534 1.949343 -12.149689 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1241) -1 5.746807 11.159855 -5.675825 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1241) -1 6.377691 11.516887 -4.998232 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1241) -1 6.306785 11.324023 -6.482331 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1242) -1 -23.312756 -20.510616 0.065994 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1242) -1 -23.701207 -21.346345 0.424409 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1242) -1 -22.445522 -20.873571 -0.244106 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1243) -1 -12.885623 29.678729 -12.995875 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1243) -1 -13.362030 30.510897 -12.778189 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1243) -1 -12.850635 29.271747 -12.097415 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1244) -1 -12.604582 -17.478750 -13.079788 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1244) -1 -11.735204 -17.793752 -13.439512 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1244) -1 -13.105809 -17.419317 -13.931228 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1245) -1 -14.281242 -17.626444 -15.172061 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1245) -1 -14.836884 -18.362011 -14.840246 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1245) -1 -14.910370 -17.199901 -15.793123 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1246) -1 -15.529193 19.791374 2.304382 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1246) -1 -14.790716 19.940697 2.926312 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1246) -1 -15.512631 18.807736 2.249492 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1247) -1 25.027727 -11.085146 13.672424 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1247) -1 24.290212 -10.758506 14.214656 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1247) -1 25.325543 -10.253063 13.250100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1248) -1 -22.887827 6.786652 -9.612466 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1248) -1 -22.903243 6.433437 -8.684273 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1248) -1 -23.649731 6.284355 -9.973716 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1249) -1 3.066507 -13.415278 12.568369 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1249) -1 2.295725 -13.376029 13.177805 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1249) -1 2.804568 -14.190446 12.021626 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1250) -1 10.350640 -16.524281 5.161882 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1250) -1 10.492840 -17.110787 4.372745 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1250) -1 11.091607 -16.848444 5.724401 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1251) -1 -6.837298 13.189171 3.414484 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1251) -1 -7.498863 12.723643 2.853681 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1251) -1 -6.124058 12.521742 3.433901 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1252) -1 -10.499804 -18.556192 6.169063 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1252) -1 -11.174405 -18.450601 6.876377 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1252) -1 -9.795110 -19.015361 6.667633 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1253) -1 37.385843 -3.953521 0.513299 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1253) -1 37.682928 -4.099304 1.439249 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1253) -1 36.765285 -4.713204 0.418200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1254) -1 -11.258075 -20.840600 12.370403 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1254) -1 -11.379888 -21.247441 11.494222 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1254) -1 -10.767285 -20.021860 12.105072 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1255) -1 23.509968 8.876617 -12.264211 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1255) -1 22.534268 8.715912 -12.253950 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1255) -1 23.794455 7.987367 -12.597522 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1256) -1 15.098548 17.513455 4.067982 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1256) -1 15.900342 17.604762 3.483395 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1256) -1 14.536689 18.214184 3.651429 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1257) -1 -30.858612 -15.033623 -10.702126 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1257) -1 -30.613214 -15.482583 -11.534966 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1257) -1 -30.280294 -14.247700 -10.742241 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1258) -1 10.959834 -17.878148 -5.522911 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1258) -1 11.276118 -18.255498 -6.382459 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1258) -1 10.201595 -17.349485 -5.859433 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1259) -1 13.494903 4.471870 -16.549184 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1259) -1 14.416994 4.143232 -16.447551 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1259) -1 13.445335 5.049661 -15.743969 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1260) -1 27.296212 9.686415 7.125893 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1260) -1 27.992269 9.031510 6.891900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1260) -1 26.777808 9.669372 6.281790 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1261) -1 -10.157921 1.680514 20.223523 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1261) -1 -9.834271 2.090094 19.391676 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1261) -1 -10.827718 1.057329 19.843133 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1262) -1 -19.824826 24.130770 0.249120 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1262) -1 -20.183323 23.207846 0.224125 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1262) -1 -19.333183 24.058301 1.112913 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1263) -1 -6.831728 -15.306071 0.472365 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1263) -1 -7.630642 -15.238823 -0.084729 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1263) -1 -7.232538 -15.461499 1.353552 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1264) -1 -17.941362 16.680682 12.640722 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1264) -1 -18.845384 16.966728 12.835383 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1264) -1 -18.096413 15.714191 12.473947 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1265) -1 2.553775 -12.573840 3.631102 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1265) -1 3.520706 -12.344728 3.617277 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1265) -1 2.601341 -13.372013 4.201448 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1266) -1 -12.940731 -18.019634 16.606745 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1266) -1 -13.490024 -17.385891 16.089852 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1266) -1 -12.662903 -18.613748 15.855087 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1267) -1 -18.848238 9.426228 3.979408 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1267) -1 -18.088700 10.014730 4.197083 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1267) -1 -19.220050 9.286832 4.876686 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1268) -1 -7.552915 -20.840297 4.822926 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1268) -1 -7.869331 -21.757721 5.001228 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1268) -1 -7.675711 -20.451062 5.716517 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1269) -1 10.004090 -14.251083 -2.625424 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1269) -1 10.506656 -15.099258 -2.692132 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1269) -1 9.462275 -14.329198 -3.446604 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1270) -1 -10.435998 11.297957 14.720007 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1270) -1 -10.378216 10.361422 15.039254 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1270) -1 -11.417484 11.329159 14.554404 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1271) -1 -9.205077 26.612414 -10.697690 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1271) -1 -8.736186 26.405278 -11.538499 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1271) -1 -8.606741 26.138342 -10.066347 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1272) -1 -2.535178 -12.794320 14.773777 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1272) -1 -2.156320 -13.634675 15.123470 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1272) -1 -2.292069 -12.906058 13.820452 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1273) -1 3.594603 6.476361 -5.910243 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1273) -1 3.702080 5.551246 -6.239255 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1273) -1 2.616538 6.455597 -5.744755 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1275) -1 -15.150382 -19.407572 7.380039 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1275) -1 -15.667641 -18.571717 7.258915 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1275) -1 -15.071312 -19.396376 8.357804 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1276) -1 -23.729025 -6.172055 16.978967 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1276) -1 -22.831271 -6.349161 16.601700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1276) -1 -24.246700 -6.093058 16.166364 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1277) -1 -19.327943 -16.015706 -14.770621 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1277) -1 -19.025854 -16.936337 -14.938653 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1277) -1 -18.710043 -15.811465 -13.999848 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1278) -1 -26.615630 -26.866118 -3.166248 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1278) -1 -26.555572 -26.107943 -2.544225 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1278) -1 -25.764422 -26.754810 -3.648680 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1279) -1 8.768939 0.043169 -17.409584 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1279) -1 8.322009 0.470133 -16.647412 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1279) -1 8.557049 -0.896465 -17.235844 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1280) -1 26.997831 -10.294954 -14.397460 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1280) -1 26.643705 -9.443469 -14.035042 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1280) -1 26.662937 -10.211109 -15.322378 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1281) -1 -7.662496 19.995494 -11.180898 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1281) -1 -7.595823 19.861470 -12.155758 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1281) -1 -8.613647 19.771613 -11.057522 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1282) -1 -30.132833 -21.721422 -2.577096 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1282) -1 -29.514015 -21.366560 -1.891879 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1282) -1 -30.660647 -20.907567 -2.745870 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1284) -1 10.630841 14.353281 8.935911 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1284) -1 9.954994 14.999935 8.693711 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1284) -1 11.414677 14.722194 8.459126 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1285) -1 -23.821869 3.661047 -3.197753 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1285) -1 -23.177413 3.330396 -3.888358 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1285) -1 -24.582607 3.062083 -3.433797 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1286) -1 -20.758242 10.344204 12.477963 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1286) -1 -20.802374 11.321981 12.533742 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1286) -1 -20.114197 10.162682 13.197863 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1287) -1 -10.494036 -19.150473 1.308928 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1287) -1 -10.998393 -19.071675 2.167886 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1287) -1 -9.725702 -19.673995 1.662739 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1288) -1 11.251258 -16.642886 -3.015764 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1288) -1 11.088925 -17.183491 -3.819475 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1288) -1 11.237236 -17.347099 -2.329432 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1289) -1 33.130255 7.948699 5.957801 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1289) -1 33.542208 8.465113 5.224621 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1289) -1 32.393859 7.529219 5.458995 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1290) -1 13.761261 -13.628210 5.237733 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1290) -1 13.523695 -13.572141 6.185632 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1290) -1 14.314012 -12.822550 5.149009 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1291) -1 16.764546 22.988490 6.373684 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1291) -1 16.705890 23.115558 5.405937 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1291) -1 16.554988 22.036395 6.442174 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1292) -1 -10.161558 -16.769327 -6.185693 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1292) -1 -10.941125 -16.212971 -5.937573 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1292) -1 -10.362909 -16.889504 -7.147951 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1293) -1 -25.173425 2.096283 -9.581466 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1293) -1 -24.560601 1.580262 -9.012563 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1293) -1 -25.750819 1.375325 -9.907856 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1294) -1 -0.606818 -15.681811 4.787480 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1294) -1 0.293935 -15.799983 5.179627 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1294) -1 -1.043939 -16.478111 5.187316 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1295) -1 8.042691 1.331377 -10.863732 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1295) -1 7.341242 0.661997 -11.038143 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1295) -1 8.834507 0.756167 -10.924316 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1296) -1 -0.946721 -1.712426 -11.078492 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1296) -1 -1.522994 -2.408991 -11.477837 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1296) -1 -0.482165 -2.288748 -10.410084 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1297) -1 19.997120 10.747759 -14.837424 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1297) -1 19.611529 10.970121 -13.959515 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1297) -1 20.609903 11.515398 -14.940895 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1298) -1 -9.042360 -18.017201 -0.631924 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1298) -1 -8.191039 -18.379501 -0.268970 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1298) -1 -9.646526 -18.322469 0.092519 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1299) -1 19.060758 11.076976 -12.289754 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1299) -1 19.527430 10.458186 -11.685268 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1299) -1 18.129164 10.842575 -12.081652 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1300) -1 -1.512906 -16.358984 8.648888 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1300) -1 -2.362650 -16.612887 9.093894 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1300) -1 -1.844715 -15.608800 8.096718 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1301) -1 -8.709993 24.811663 -5.123663 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1301) -1 -8.286984 25.509558 -5.677158 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1301) -1 -8.033960 24.099966 -5.219045 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1302) -1 -21.788789 16.753715 1.039804 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1302) -1 -21.588009 16.006767 0.416285 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1302) -1 -20.887777 16.805816 1.466658 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1303) -1 -10.025755 17.868387 -3.253902 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1303) -1 -10.070248 16.905170 -3.050606 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1303) -1 -9.251258 18.119405 -2.702557 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1304) -1 -18.713423 10.100669 -1.785480 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1304) -1 -19.388083 9.871956 -1.111271 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1304) -1 -18.075677 10.600827 -1.238568 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1305) -1 23.113343 -8.688071 14.293957 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1305) -1 22.360847 -8.281256 13.781963 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1305) -1 22.628149 -8.830106 15.147662 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1306) -1 -12.944232 29.805460 -3.474127 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1306) -1 -12.257531 29.470086 -4.106111 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1306) -1 -12.507172 29.511466 -2.630321 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1307) -1 -19.803926 6.618398 7.688996 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1307) -1 -20.279128 6.084950 7.010150 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1307) -1 -18.904323 6.641737 7.308533 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1308) -1 19.143486 16.357023 -2.480629 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1308) -1 18.770202 15.447602 -2.510816 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1308) -1 19.361371 16.476270 -3.440249 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1309) -1 14.264235 12.584353 16.085387 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1309) -1 15.091210 12.841762 15.623221 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1309) -1 13.610266 13.080563 15.541955 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1310) -1 7.999546 13.401911 -9.776893 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1310) -1 8.750494 13.286484 -9.143342 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1310) -1 8.497770 13.773528 -10.539354 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1311) -1 2.938987 -4.252225 16.488195 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1311) -1 3.879012 -4.272815 16.711101 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1311) -1 2.929977 -3.551373 15.793285 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1312) -1 32.678321 11.694033 -3.791114 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1312) -1 33.316363 11.280215 -3.163269 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1312) -1 31.871731 11.692442 -3.234560 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1313) -1 -10.745490 18.076571 -13.644227 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1313) -1 -9.930951 17.840498 -14.114169 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1313) -1 -11.169965 17.187329 -13.557218 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1314) -1 -10.552416 -22.350271 3.028409 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1314) -1 -11.193353 -22.636555 2.337759 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1314) -1 -11.195359 -22.029501 3.710587 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1315) -1 18.533214 -4.572781 -17.009314 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1315) -1 18.871615 -5.487779 -17.134083 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1315) -1 17.728251 -4.782404 -16.473534 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1316) -1 -21.223207 10.042468 -5.137686 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1316) -1 -21.722168 9.280734 -4.749596 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1316) -1 -21.958188 10.528746 -5.561340 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1317) -1 -12.396214 10.035407 -10.078759 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1317) -1 -13.004986 9.616582 -9.414224 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1317) -1 -11.928291 9.221574 -10.375790 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1318) -1 -21.004180 26.516015 -0.182104 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1318) -1 -20.600235 25.640784 0.029863 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1318) -1 -20.709877 26.607450 -1.117650 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1319) -1 23.051922 -15.552155 -11.168634 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1319) -1 22.887322 -15.180803 -12.066071 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1319) -1 22.273389 -16.154457 -11.101481 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1320) -1 4.396952 13.458876 -5.147762 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1320) -1 4.770877 12.600111 -5.447993 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1320) -1 3.594091 13.136474 -4.686012 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1321) -1 -9.278022 14.437517 0.796672 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1321) -1 -10.190547 14.367436 0.445715 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1321) -1 -9.149713 13.524024 1.133719 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1322) -1 -23.538767 -3.031690 2.437376 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1322) -1 -23.984853 -2.351669 1.877862 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1322) -1 -23.400478 -2.482064 3.256457 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1323) -1 2.749815 -2.419120 14.482312 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1323) -1 2.183304 -1.607633 14.470237 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1323) -1 3.111901 -2.348475 13.558476 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1324) -1 -30.385961 -21.284292 -6.875911 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1324) -1 -30.475224 -20.347625 -6.576617 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1324) -1 -30.921393 -21.722590 -6.170125 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1325) -1 -12.592899 16.147613 -4.713848 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1325) -1 -11.909984 15.731784 -5.296607 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1325) -1 -12.595253 17.050437 -5.089179 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1326) -1 -2.295011 10.370126 2.167738 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1326) -1 -1.430551 9.912081 2.107691 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1326) -1 -2.486738 10.518639 1.218402 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1327) -1 -6.100127 21.619779 -9.801209 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1327) -1 -5.255901 21.142713 -9.850508 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1327) -1 -6.695798 20.948433 -10.231959 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1328) -1 -22.932612 -9.984699 -10.978655 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1328) -1 -22.342414 -10.572019 -11.507429 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1328) -1 -22.394562 -9.162783 -10.988139 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1329) -1 -12.112174 15.821935 -13.201452 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1329) -1 -11.961702 15.595217 -12.246266 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1329) -1 -12.059191 14.896626 -13.568874 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1330) -1 28.085157 -11.839902 -6.175948 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1330) -1 27.897799 -12.661227 -6.678399 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1330) -1 27.464515 -11.222356 -6.605207 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1331) -1 -22.612927 19.860512 8.106446 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1331) -1 -22.917509 19.568872 7.229088 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1331) -1 -21.710663 20.182624 7.895223 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1332) -1 17.266308 5.858788 -17.308731 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1332) -1 17.148019 6.501910 -16.569609 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1332) -1 16.900858 5.053213 -16.883370 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1333) -1 -13.052241 2.821626 18.111092 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1333) -1 -12.840713 3.179134 19.000280 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1333) -1 -14.011631 2.633104 18.227039 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1334) -1 -12.294227 15.964731 5.336776 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1334) -1 -12.476571 15.999041 6.301250 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1334) -1 -12.912297 15.245890 5.071222 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1335) -1 -27.731588 -17.173403 -2.758031 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1335) -1 -28.494297 -17.093523 -3.379956 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1335) -1 -27.861513 -16.341653 -2.247104 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1336) -1 -17.292360 -9.567803 15.201559 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1336) -1 -17.372759 -9.555649 14.219439 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1336) -1 -17.033322 -10.482722 15.357315 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1337) -1 28.651053 3.411085 -9.876566 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1337) -1 28.676236 4.214087 -10.456292 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1337) -1 29.600743 3.242489 -9.776108 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1338) -1 -2.403636 -18.569570 0.831077 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1338) -1 -3.333907 -18.442447 1.094059 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1338) -1 -2.391265 -19.503246 0.586244 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1339) -1 -23.570823 16.092052 7.628741 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1339) -1 -22.941346 15.341442 7.767207 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1339) -1 -24.343105 15.576201 7.294431 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1340) -1 31.602133 12.708112 -6.019009 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1340) -1 32.092500 12.389639 -5.221448 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1340) -1 31.963783 12.125975 -6.698013 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1341) -1 -11.895001 28.659224 -1.260751 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1341) -1 -12.647499 28.650502 -0.623336 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1341) -1 -11.422641 27.846706 -0.956603 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1342) -1 -6.082316 -10.884575 -12.384070 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1342) -1 -5.712269 -11.662014 -12.829802 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1342) -1 -5.337682 -10.587781 -11.832740 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1343) -1 -11.205760 28.633834 -5.149807 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1343) -1 -11.038969 27.688546 -5.382634 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1343) -1 -10.486475 28.750331 -4.473207 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1344) -1 -15.983723 4.210969 16.673790 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1344) -1 -16.832930 4.342096 16.196922 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1344) -1 -16.223533 3.490045 17.282713 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1345) -1 16.718969 17.616692 -2.061345 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1345) -1 17.666965 17.343172 -2.067861 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1345) -1 16.638410 17.839245 -1.090712 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1346) -1 33.735971 9.108720 3.568813 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1346) -1 33.085155 9.807734 3.313852 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1346) -1 33.491545 8.423230 2.898583 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1347) -1 -18.972666 26.748797 -14.919085 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1347) -1 -19.277319 25.897534 -15.315676 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1347) -1 -18.871101 26.463670 -13.987959 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1348) -1 -18.145179 6.733027 12.095691 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1348) -1 -18.378477 5.779807 12.245768 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1348) -1 -18.824189 6.934178 11.403456 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1349) -1 -7.594840 -21.789550 -3.293010 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1349) -1 -8.272598 -21.139288 -2.960664 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1349) -1 -6.790810 -21.320881 -2.944651 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1350) -1 -10.384177 -8.424370 18.193648 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1350) -1 -9.833850 -9.131194 18.605340 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1350) -1 -10.165137 -7.683607 18.813143 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1351) -1 26.098068 14.060397 10.377247 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1351) -1 26.197090 13.560920 9.546484 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1351) -1 25.150996 14.321757 10.320152 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1352) -1 22.306195 -15.458517 5.373333 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1352) -1 21.467193 -15.163296 4.951731 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1352) -1 22.350938 -14.781309 6.102810 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1353) -1 9.879711 12.520022 -2.663677 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1353) -1 10.114569 12.622980 -1.703223 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1353) -1 10.772053 12.267383 -3.004632 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1354) -1 14.685541 9.932063 13.276658 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1354) -1 15.664689 10.036515 13.306669 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1354) -1 14.463288 10.809840 12.856662 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1355) -1 11.020320 -6.129548 6.040999 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1355) -1 11.281281 -7.044800 5.792245 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1355) -1 10.486280 -6.326130 6.848805 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1356) -1 30.565154 -7.956733 -4.048517 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1356) -1 29.705689 -7.598607 -3.738979 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1356) -1 30.309310 -8.896112 -4.192305 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1357) -1 -1.961719 -13.475979 -4.585116 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1357) -1 -2.798246 -13.558063 -4.089159 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1357) -1 -1.657633 -14.411705 -4.558710 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1358) -1 11.510385 15.290768 3.074282 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1358) -1 12.326990 15.130186 3.627042 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1358) -1 11.362723 16.237980 3.354602 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1359) -1 20.926436 5.670083 -9.468864 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1359) -1 20.206164 5.782367 -8.825460 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1359) -1 21.411004 6.519621 -9.338166 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1360) -1 22.191665 -15.378676 -5.310543 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1360) -1 21.687615 -15.721616 -6.068305 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1360) -1 21.673062 -15.718632 -4.559929 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1361) -1 21.087022 12.653963 12.439833 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1361) -1 20.369304 13.052988 12.997858 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1361) -1 21.056253 13.312714 11.694105 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1362) -1 22.553002 -14.147661 -13.442492 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1362) -1 22.273429 -13.224563 -13.692094 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1362) -1 21.859468 -14.635119 -13.989551 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1363) -1 11.395037 0.568926 -17.364064 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1363) -1 10.422918 0.456683 -17.552537 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1363) -1 11.502794 -0.198748 -16.750089 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1364) -1 24.100653 -1.927939 -15.240058 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1364) -1 23.340918 -1.313940 -15.320414 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1364) -1 24.427795 -1.674310 -14.350501 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1365) -1 -19.676260 18.676507 -10.271421 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1365) -1 -19.299773 18.348032 -11.116375 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1365) -1 -19.530222 17.872544 -9.715995 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1366) -1 6.922269 -7.474092 -11.190319 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1366) -1 6.549804 -7.050829 -10.382059 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1366) -1 7.635415 -8.008778 -10.778167 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1367) -1 -7.465668 -17.390630 14.900350 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1367) -1 -7.344053 -16.921793 14.031886 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1367) -1 -6.828371 -18.127021 14.754551 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1368) -1 -6.708977 22.897012 -5.148791 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1368) -1 -5.853375 22.984894 -4.696330 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1368) -1 -7.072447 22.108422 -4.670217 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1369) -1 -26.461454 -24.420498 -1.927646 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1369) -1 -25.726525 -23.922134 -2.372018 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1369) -1 -27.209961 -24.120624 -2.500690 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1370) -1 12.011982 8.268750 9.625834 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1370) -1 12.552688 7.988284 10.402221 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1370) -1 11.622935 7.393805 9.380717 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1371) -1 -15.849714 13.642184 -0.093373 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1371) -1 -14.973649 13.282294 -0.420044 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1371) -1 -16.365776 12.795788 -0.175091 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1372) -1 -6.643515 4.248111 15.822730 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1372) -1 -5.850240 3.688634 15.978417 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1372) -1 -6.986510 4.310406 16.742866 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1373) -1 21.297682 -8.888579 16.300479 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1373) -1 20.443220 -8.773381 15.820566 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1373) -1 21.005034 -8.798644 17.215893 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1374) -1 -17.853003 12.365960 -5.784562 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1374) -1 -18.048034 11.822786 -6.579951 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1374) -1 -16.886067 12.198332 -5.698201 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1375) -1 28.867819 -9.555408 -1.446597 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1375) -1 29.227864 -10.016367 -2.241039 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1375) -1 28.100812 -10.160792 -1.262675 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1376) -1 -10.389957 -21.590113 7.138611 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1376) -1 -9.557005 -21.058922 7.157021 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1376) -1 -10.720653 -21.365959 8.046672 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1377) -1 31.671667 3.007729 -1.846631 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1377) -1 30.887483 2.823234 -2.428073 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1377) -1 32.077294 3.733776 -2.382133 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1378) -1 -12.128136 20.871942 8.671148 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1378) -1 -13.098203 20.975392 8.557245 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1378) -1 -12.121849 20.432428 9.560280 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1379) -1 -2.052135 9.655554 -5.690229 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1379) -1 -1.197005 9.262432 -5.406829 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1379) -1 -2.400621 8.930127 -6.249296 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1380) -1 -26.985506 -4.458992 -2.708481 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1380) -1 -26.313103 -5.010581 -3.166988 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1380) -1 -26.424908 -4.058767 -2.009171 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1381) -1 -24.356550 -5.972971 19.606383 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1381) -1 -23.442152 -5.825872 19.870254 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1381) -1 -24.257621 -6.072972 18.630988 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1382) -1 -9.938518 17.098365 -9.719075 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1382) -1 -9.053661 16.701891 -9.635026 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1382) -1 -10.085124 17.375862 -8.776260 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1383) -1 -3.979022 -17.014076 -9.770930 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1383) -1 -3.128665 -16.620566 -10.059839 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1383) -1 -3.790295 -17.171101 -8.823116 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1384) -1 18.829475 7.752394 13.298798 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1384) -1 19.318797 8.597064 13.186789 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1384) -1 17.978370 8.073552 13.630668 L H-HS-0.193300(PDBName=HG,ResName=GDS,ResNum=238) 0 -19.352735 -21.066510 -9.251332 H 1 944 1.0 2 1.0 3 1.0 4 1.0 2 3 4 5 1.0 6 1.0 7 1.0 5 6 7 8 1.0 9 1.0 8 9 10 1013 1.0 11 1.0 1015 1.0 12 1.0 11 12 13 1.0 14 1.0 13 14 15 1.0 16 1.0 15 16 17 1.0 18 1.0 22 1.0 17 18 19 1.0 20 1.0 21 1.0 19 20 21 22 23 1.0 24 1.0 23 24 25 1.0 26 1.0 25 26 27 1.0 28 1.0 29 1.0 27 28 29 30 1.0 31 1.0 30 31 32 1.0 33 1.0 32 33 34 1.0 35 1.0 46 1.0 34 35 36 1.0 37 1.0 38 1.0 36 37 38 39 1.0 44 1.0 39 40 1.0 41 1.0 40 41 42 1.0 43 1.0 42 43 44 1.0 44 45 1.0 45 46 47 1.0 48 1.0 47 48 49 1.0 50 1.0 49 50 51 1.0 52 1.0 151 1.0 51 52 53 1.0 54 1.0 55 1.0 53 54 55 56 1.0 56 57 1981 1.0 58 1.0 59 1.0 60 1.0 58 59 60 61 1.0 62 1.0 61 62 63 1.0 66 1.0 63 64 1.0 65 1.0 64 65 66 67 1.0 68 1.0 67 68 69 70 1.0 73 1.0 77 1.0 78 1.0 70 71 1.0 72 1.0 71 72 73 74 1.0 75 1.0 76 1.0 74 75 76 77 78 79 1.0 80 1.0 81 1.0 79 80 81 82 1.0 83 1.0 84 1.0 82 83 84 85 1.0 123 1.0 85 86 1.0 122 1.0 86 87 1.0 111 1.0 121 1.0 87 88 1.0 109 1.0 110 1.0 88 89 1.0 89 90 1.0 7167 1.0 90 91 1.0 107 1.0 108 1.0 91 92 1.0 99 1.0 106 1.0 92 93 1.0 98 1.0 93 94 1.0 97 1.0 94 3780 1.0 95 1.0 96 1.0 95 96 97 98 99 100 1.0 105 1.0 100 101 1.0 104 1.0 101 3783 1.0 102 1.0 103 1.0 102 103 104 105 106 107 108 109 110 111 112 1.0 113 1.0 112 113 114 1.0 120 1.0 114 115 1.0 118 1.0 119 1.0 115 116 1.0 117 1.0 116 117 118 119 120 121 122 123 124 125 1.0 126 1.0 125 126 1.0 126 127 128 1.0 129 1.0 128 129 1.0 129 130 131 1.0 132 1.0 131 132 1.0 132 133 134 1.0 135 1.0 134 135 1.0 135 136 137 1.0 138 1.0 137 138 1.0 138 139 140 1.0 141 1.0 140 141 1.0 141 142 143 1.0 144 1.0 143 144 1.0 144 145 146 1.0 147 1.0 146 147 1.0 147 148 149 1.0 150 1.0 149 150 1.0 150 151 152 1.0 153 1.0 152 153 154 1.0 1033 1.0 154 155 1401 1.0 156 1.0 157 1.0 158 1.0 156 157 158 159 1.0 160 1.0 161 1.0 159 160 161 162 1.0 163 1.0 164 1.0 162 163 164 165 166 1.0 167 1.0 166 167 1.0 167 168 169 1.0 170 1.0 169 170 1.0 170 171 172 1.0 173 1.0 172 173 1.0 173 174 175 1.0 176 1.0 175 176 1.0 176 177 178 1.0 179 1.0 178 179 1.0 179 180 181 1.0 182 1.0 181 182 1.0 182 183 184 1.0 185 1.0 184 185 1.0 185 186 187 1.0 188 1.0 187 188 1.0 188 189 190 1.0 191 1.0 190 191 1.0 191 192 193 1.0 194 1.0 193 194 1.0 194 195 196 1.0 197 1.0 196 197 1.0 197 198 199 1.0 200 1.0 199 200 1.0 200 201 202 1.0 203 1.0 202 203 1.0 203 204 205 1.0 206 1.0 207 1.0 208 1.0 205 206 207 208 209 1.0 210 1.0 221 1.0 209 210 211 1.0 212 1.0 213 1.0 211 212 213 214 1.0 215 1.0 216 1.0 214 215 216 217 1.0 217 218 1.0 219 1.0 220 1.0 218 219 220 221 222 1.0 223 1.0 222 223 224 1.0 225 1.0 224 225 226 1.0 227 1.0 240 1.0 226 227 228 1.0 229 1.0 230 1.0 228 229 230 231 1.0 232 1.0 236 1.0 231 232 233 1.0 234 1.0 235 1.0 233 234 235 236 237 1.0 238 1.0 239 1.0 237 238 239 240 241 1.0 242 1.0 241 242 243 1.0 244 1.0 243 244 245 1.0 246 1.0 264 1.0 245 246 247 1.0 248 1.0 249 1.0 247 248 249 250 1.0 251 1.0 252 1.0 250 251 252 253 1.0 254 1.0 255 1.0 253 254 255 256 1.0 257 1.0 256 257 258 1.0 261 1.0 258 259 1.0 260 1.0 259 260 261 262 1.0 263 1.0 262 263 264 265 1.0 266 1.0 265 266 267 1.0 268 1.0 267 268 269 1.0 270 1.0 288 1.0 269 270 271 1.0 272 1.0 273 1.0 271 272 273 274 1.0 275 1.0 276 1.0 274 275 276 277 1.0 278 1.0 279 1.0 277 278 279 280 1.0 281 1.0 280 281 282 1.0 285 1.0 282 283 1.0 284 1.0 283 284 285 286 1.0 287 1.0 286 287 288 289 1.0 290 1.0 289 290 291 1.0 292 1.0 291 292 293 1.0 294 1.0 298 1.0 293 294 295 1.0 296 1.0 297 1.0 295 296 297 298 299 1.0 300 1.0 299 300 301 1.0 302 1.0 301 302 303 1.0 304 1.0 317 1.0 303 304 305 1.0 306 1.0 307 1.0 305 306 307 308 1.0 309 1.0 313 1.0 308 309 310 1.0 311 1.0 312 1.0 310 311 312 313 314 1.0 315 1.0 316 1.0 314 315 316 317 318 1.0 319 1.0 318 319 320 1.0 321 1.0 320 321 322 1.0 323 1.0 336 1.0 322 323 324 1.0 325 1.0 326 1.0 324 325 326 327 1.0 328 1.0 332 1.0 327 328 329 1.0 330 1.0 331 1.0 329 330 331 332 333 1.0 334 1.0 335 1.0 333 334 335 336 337 1.0 338 1.0 337 338 339 1.0 340 1.0 339 340 341 1.0 342 1.0 347 1.0 341 342 343 1.0 344 1.0 345 1.0 343 344 345 346 1.0 346 347 348 1.0 349 1.0 348 349 350 1.0 351 1.0 350 351 352 1.0 353 1.0 366 1.0 352 353 354 1.0 355 1.0 356 1.0 354 355 356 357 1.0 358 1.0 362 1.0 357 358 359 1.0 360 1.0 361 1.0 359 360 361 362 363 1.0 364 1.0 365 1.0 363 364 365 366 367 1.0 368 1.0 367 368 369 1.0 370 1.0 369 370 371 1.0 372 1.0 376 1.0 371 372 373 1.0 374 1.0 375 1.0 373 374 375 376 377 1.0 378 1.0 377 378 379 1.0 380 1.0 379 380 381 1.0 382 1.0 392 1.0 381 382 383 1.0 384 1.0 388 1.0 383 384 385 1.0 386 1.0 387 1.0 385 386 387 388 389 1.0 390 1.0 391 1.0 389 390 391 392 393 1.0 394 1.0 393 394 395 1.0 396 1.0 395 396 397 1.0 398 1.0 402 1.0 397 398 399 1.0 400 1.0 401 1.0 399 400 401 402 403 1.0 404 1.0 403 404 405 1.0 406 1.0 405 406 407 1.0 408 1.0 412 1.0 407 408 409 1.0 410 1.0 411 1.0 409 410 411 412 413 1.0 414 1.0 413 414 415 1.0 416 1.0 415 416 417 1.0 418 1.0 431 1.0 417 418 419 1.0 420 1.0 421 1.0 419 420 421 422 1.0 423 1.0 427 1.0 422 423 424 1.0 425 1.0 426 1.0 424 425 426 427 428 1.0 429 1.0 430 1.0 428 429 430 431 432 1.0 433 1.0 432 433 434 1.0 435 1.0 434 435 436 1.0 437 1.0 447 1.0 436 437 438 1.0 439 1.0 443 1.0 438 439 440 1.0 441 1.0 442 1.0 440 441 442 443 444 1.0 445 1.0 446 1.0 444 445 446 447 448 1.0 449 1.0 448 449 450 1.0 451 1.0 450 451 452 1.0 453 1.0 471 1.0 452 453 454 1.0 455 1.0 456 1.0 454 455 456 457 1.0 458 1.0 459 1.0 457 458 459 460 1.0 461 1.0 462 1.0 460 461 462 463 1.0 464 1.0 463 464 465 1.0 468 1.0 465 466 1.0 467 1.0 466 467 468 469 1.0 470 1.0 469 470 471 472 1.0 473 1.0 472 473 474 1.0 475 1.0 474 475 476 1.0 477 1.0 481 1.0 476 477 478 1.0 479 1.0 480 1.0 478 479 480 481 482 1.0 483 1.0 482 483 484 1.0 485 1.0 484 485 486 1.0 487 1.0 493 1.0 486 487 488 1.0 489 1.0 490 1.0 488 489 490 491 1.0 492 1.0 491 492 493 494 1.0 495 1.0 494 495 496 1.0 497 1.0 496 497 498 1.0 499 1.0 503 1.0 498 499 500 1.0 501 1.0 502 1.0 500 501 502 503 504 1.0 505 1.0 504 505 506 1.0 515 1.0 506 507 1.0 508 1.0 509 1.0 507 508 509 510 1.0 511 1.0 512 1.0 510 511 512 513 1.0 514 1.0 515 1.0 513 514 515 516 1.0 517 1.0 516 517 518 1.0 519 1.0 518 519 520 1.0 521 1.0 520 521 522 1.0 523 1.0 532 1.0 522 523 524 1.0 525 1.0 526 1.0 524 525 526 527 1.0 528 1.0 529 1.0 527 528 529 530 1.0 531 1.0 530 531 532 533 1.0 534 1.0 533 534 535 1.0 536 1.0 535 536 537 1.0 538 1.0 547 1.0 537 538 539 1.0 540 1.0 541 1.0 539 540 541 542 1.0 543 1.0 544 1.0 542 543 544 545 1.0 546 1.0 545 546 547 548 1.0 549 1.0 548 549 550 1.0 551 1.0 550 551 552 1.0 553 1.0 562 1.0 552 553 554 1.0 555 1.0 556 1.0 554 555 556 557 1.0 558 1.0 559 1.0 557 558 559 560 1.0 561 1.0 560 561 562 563 1.0 564 1.0 563 564 565 1.0 566 1.0 565 566 567 1.0 568 1.0 574 1.0 567 568 569 1.0 570 1.0 571 1.0 569 570 571 572 1.0 573 1.0 572 573 574 575 1.0 576 1.0 575 576 577 1.0 578 1.0 577 578 579 1.0 580 1.0 591 1.0 579 580 581 1.0 582 1.0 583 1.0 581 582 583 584 1.0 589 1.0 584 585 1.0 586 1.0 585 586 587 1.0 588 1.0 587 588 589 1.0 589 590 1.0 590 591 592 1.0 593 1.0 592 593 594 1.0 595 1.0 594 595 596 1.0 597 1.0 607 1.0 596 597 598 1.0 599 1.0 603 1.0 598 599 600 1.0 601 1.0 602 1.0 600 601 602 603 604 1.0 605 1.0 606 1.0 604 605 606 607 608 1.0 609 1.0 608 609 610 1.0 611 1.0 610 611 612 1.0 613 1.0 626 1.0 612 613 614 1.0 615 1.0 616 1.0 614 615 616 617 1.0 618 1.0 622 1.0 617 618 619 1.0 620 1.0 621 1.0 619 620 621 622 623 1.0 624 1.0 625 1.0 623 624 625 626 627 1.0 628 1.0 627 628 629 1.0 630 1.0 629 630 631 1.0 632 1.0 642 1.0 631 632 633 1.0 634 1.0 638 1.0 633 634 635 1.0 636 1.0 637 1.0 635 636 637 638 639 1.0 640 1.0 641 1.0 639 640 641 642 643 1.0 644 1.0 643 644 645 1.0 646 1.0 645 646 647 1.0 648 1.0 661 1.0 647 648 649 1.0 650 1.0 651 1.0 649 650 651 652 1.0 653 1.0 657 1.0 652 653 654 1.0 655 1.0 656 1.0 654 655 656 657 658 1.0 659 1.0 660 1.0 658 659 660 661 662 1.0 663 1.0 662 663 664 1.0 665 1.0 664 665 666 1.0 667 1.0 685 1.0 666 667 668 1.0 669 1.0 670 1.0 668 669 670 671 1.0 672 1.0 673 1.0 671 672 673 674 1.0 675 1.0 676 1.0 674 675 676 677 1.0 678 1.0 677 678 679 1.0 682 1.0 679 680 1.0 681 1.0 680 681 682 683 1.0 684 1.0 683 684 685 686 1.0 687 1.0 686 687 688 1.0 689 1.0 688 689 690 1.0 691 1.0 707 1.0 690 691 692 1.0 693 1.0 694 1.0 692 693 694 695 1.0 696 1.0 697 1.0 695 696 697 698 1.0 699 1.0 700 1.0 698 699 700 701 1.0 702 1.0 703 1.0 701 702 703 704 1.0 705 1.0 706 1.0 704 705 706 707 708 1.0 709 1.0 708 709 710 1.0 711 1.0 710 711 712 1.0 713 1.0 718 1.0 712 713 714 1.0 715 1.0 716 1.0 714 715 716 717 1.0 717 718 719 1.0 720 1.0 719 720 721 1.0 722 1.0 721 722 723 1.0 724 1.0 732 1.0 723 724 725 1.0 726 1.0 727 1.0 725 726 727 728 1.0 729 1.0 728 729 730 1.0 731 1.0 730 731 732 733 1.0 734 1.0 733 734 735 1.0 736 1.0 735 736 737 1.0 738 1.0 752 1.0 737 738 739 1.0 740 1.0 741 1.0 739 740 741 742 1.0 750 1.0 742 743 1.0 744 1.0 743 744 745 1.0 746 1.0 745 746 747 1.0 748 1.0 747 748 749 1.0 750 1.0 749 750 751 1.0 751 752 753 1.0 754 1.0 753 754 755 1.0 756 1.0 755 756 757 1.0 758 1.0 762 1.0 757 758 759 1.0 760 1.0 761 1.0 759 760 761 762 763 1.0 764 1.0 763 764 765 1.0 766 1.0 765 766 767 1.0 768 1.0 777 1.0 767 768 769 1.0 770 1.0 771 1.0 769 770 771 772 1.0 773 1.0 774 1.0 772 773 774 775 1.0 776 1.0 775 776 777 778 1.0 779 1.0 778 779 780 1.0 781 1.0 780 781 782 1.0 783 1.0 787 1.0 782 783 784 1.0 785 1.0 786 1.0 784 785 786 787 788 1.0 789 1.0 788 789 790 1.0 791 1.0 790 791 792 1.0 793 1.0 806 1.0 792 793 794 1.0 795 1.0 796 1.0 794 795 796 797 1.0 798 1.0 802 1.0 797 798 799 1.0 800 1.0 801 1.0 799 800 801 802 803 1.0 804 1.0 805 1.0 803 804 805 806 807 1.0 808 1.0 807 808 809 1.0 810 1.0 809 810 811 1.0 812 1.0 816 1.0 811 812 813 1.0 814 1.0 815 1.0 813 814 815 816 817 1.0 818 1.0 817 818 819 1.0 820 1.0 819 820 821 1.0 822 1.0 826 1.0 821 822 823 1.0 824 1.0 825 1.0 823 824 825 826 827 1.0 828 1.0 827 828 829 1.0 830 1.0 829 830 831 1.0 832 1.0 843 1.0 831 832 833 1.0 834 1.0 835 1.0 833 834 835 836 1.0 841 1.0 836 837 1.0 838 1.0 837 838 839 1.0 840 1.0 839 840 841 1.0 841 842 1.0 842 843 844 1.0 845 1.0 844 845 846 1.0 847 1.0 846 847 848 1.0 849 1.0 865 1.0 848 849 850 1.0 851 1.0 852 1.0 850 851 852 853 1.0 854 1.0 855 1.0 853 854 855 856 1.0 857 1.0 858 1.0 856 857 858 859 1.0 860 1.0 861 1.0 859 860 861 862 1.0 863 1.0 864 1.0 862 863 864 865 866 1.0 867 1.0 866 867 868 1.0 869 1.0 868 869 870 1.0 871 1.0 886 1.0 870 871 872 1.0 873 1.0 874 1.0 872 873 874 875 1.0 884 1.0 875 876 1.0 877 1.0 876 877 878 1.0 879 1.0 878 879 880 1.0 882 1.0 880 881 1.0 881 882 883 1.0 884 1.0 883 884 885 1.0 885 886 887 1.0 888 1.0 887 888 889 1.0 890 1.0 889 890 891 1.0 892 1.0 905 1.0 891 892 893 1.0 894 1.0 895 1.0 893 894 895 896 1.0 897 1.0 901 1.0 896 897 898 1.0 899 1.0 900 1.0 898 899 900 901 902 1.0 903 1.0 904 1.0 902 903 904 905 906 1.0 907 1.0 906 907 908 1.0 909 1.0 908 909 910 1.0 911 1.0 924 1.0 910 911 912 1.0 913 1.0 914 1.0 912 913 914 915 1.0 916 1.0 920 1.0 915 916 917 1.0 918 1.0 919 1.0 917 918 919 920 921 1.0 922 1.0 923 1.0 921 922 923 924 925 1.0 926 1.0 925 926 927 1.0 928 1.0 927 928 929 1.0 930 1.0 940 1.0 929 930 931 1.0 932 1.0 936 1.0 931 932 933 1.0 934 1.0 935 1.0 933 934 935 936 937 1.0 938 1.0 939 1.0 937 938 939 940 941 1.0 942 1.0 941 942 943 1.0 944 1.0 943 944 945 1.0 946 1.0 945 946 947 1.0 948 1.0 947 948 949 1.0 950 1.0 949 950 951 1.0 952 1.0 966 1.0 951 952 953 1.0 954 1.0 955 1.0 953 954 955 956 1.0 964 1.0 956 957 1.0 958 1.0 957 958 959 1.0 960 1.0 959 960 961 1.0 962 1.0 961 962 963 1.0 964 1.0 963 964 965 1.0 965 966 967 1.0 968 1.0 967 968 969 1.0 970 1.0 969 970 971 1.0 972 1.0 987 1.0 971 972 973 1.0 974 1.0 975 1.0 973 974 975 976 1.0 985 1.0 976 977 1.0 978 1.0 977 978 979 1.0 980 1.0 979 980 981 1.0 983 1.0 981 982 1.0 982 983 984 1.0 985 1.0 984 985 986 1.0 986 987 988 1.0 989 1.0 988 989 990 1.0 991 1.0 990 991 992 1.0 993 1.0 997 1.0 992 993 994 1.0 995 1.0 996 1.0 994 995 996 997 998 1.0 999 1.0 998 999 1000 1.0 1009 1.0 1000 1001 1.0 1002 1.0 1003 1.0 1001 1002 1003 1004 1.0 1005 1.0 1006 1.0 1004 1005 1006 1007 1.0 1008 1.0 1009 1.0 1007 1008 1009 1010 1.0 1011 1.0 1010 1011 1012 1.0 1013 1.0 1012 1013 1014 1.0 1014 1015 1016 1.0 1017 1.0 1018 1.0 1016 1017 1018 1019 1.0 1032 1.0 1019 1020 1.0 1021 1.0 1020 1021 1022 1.0 1023 1.0 1022 1023 1024 1.0 1032 1.0 1024 1025 1.0 1026 1.0 1025 1026 1027 1.0 1028 1.0 1027 1028 1029 1.0 1030 1.0 1029 1030 1031 1.0 1032 1.0 1031 1032 1033 1034 1.0 1035 1.0 1051 1.0 1034 1035 1036 1.0 1037 1.0 1038 1.0 1036 1037 1038 1039 1.0 1040 1.0 1041 1.0 1039 1040 1041 1042 1.0 1043 1.0 1044 1.0 1042 1043 1044 1045 1.0 1046 1.0 1047 1.0 1045 1046 1047 1048 1.0 1049 1.0 1050 1.0 1048 1049 1050 1051 1052 1.0 1053 1.0 1052 1053 1054 1.0 1055 1.0 1054 1055 1056 1.0 1057 1.0 1061 1.0 1056 1057 1058 1.0 1059 1.0 1060 1.0 1058 1059 1060 1061 1062 1.0 1063 1.0 1062 1063 1064 1.0 1065 1.0 1064 1065 1066 1.0 1067 1.0 1080 1.0 1066 1067 1068 1.0 1069 1.0 1070 1.0 1068 1069 1070 1071 1.0 1072 1.0 1076 1.0 1071 1072 1073 1.0 1074 1.0 1075 1.0 1073 1074 1075 1076 1077 1.0 1078 1.0 1079 1.0 1077 1078 1079 1080 1081 1.0 1082 1.0 1081 1082 1083 1.0 1084 1.0 1083 1084 1085 1.0 1086 1.0 1090 1.0 1085 1086 1087 1.0 1088 1.0 1089 1.0 1087 1088 1089 1090 1091 1.0 1092 1.0 1091 1092 1093 1.0 1102 1.0 1093 1094 1.0 1095 1.0 1096 1.0 1094 1095 1096 1097 1.0 1098 1.0 1099 1.0 1097 1098 1099 1100 1.0 1101 1.0 1102 1.0 1100 1101 1102 1103 1.0 1104 1.0 1103 1104 1105 1.0 1106 1.0 1105 1106 1107 1.0 1108 1.0 1107 1108 1109 1.0 1110 1.0 1119 1.0 1109 1110 1111 1.0 1112 1.0 1113 1.0 1111 1112 1113 1114 1.0 1115 1.0 1116 1.0 1114 1115 1116 1117 1.0 1118 1.0 1117 1118 1119 1120 1.0 1121 1.0 1120 1121 1122 1.0 1123 1.0 1122 1123 1124 1.0 1125 1.0 1140 1.0 1124 1125 1126 1.0 1127 1.0 1128 1.0 1126 1127 1128 1129 1.0 1138 1.0 1129 1130 1.0 1131 1.0 1130 1131 1132 1.0 1133 1.0 1132 1133 1134 1.0 1136 1.0 1134 1135 1.0 1135 1136 1137 1.0 1138 1.0 1137 1138 1139 1.0 1139 1140 1141 1.0 1142 1.0 1141 1142 1143 1.0 1144 1.0 1143 1144 1145 1.0 1146 1.0 1150 1.0 1145 1146 1147 1.0 1148 1.0 1149 1.0 1147 1148 1149 1150 1151 1.0 1152 1.0 1151 1152 1153 1.0 1154 1.0 1153 1154 1155 1.0 1156 1.0 1172 1.0 1155 1156 1157 1.0 1158 1.0 1159 1.0 1157 1158 1159 1160 1.0 1161 1.0 1162 1.0 1160 1161 1162 1163 1.0 1164 1.0 1165 1.0 1163 1164 1165 1166 1.0 1167 1.0 1168 1.0 1166 1167 1168 1169 1.0 1170 1.0 1171 1.0 1169 1170 1171 1172 1173 1.0 1174 1.0 1173 1174 1175 1.0 1176 1.0 1175 1176 1177 1.0 1178 1.0 1182 1.0 1177 1178 1179 1.0 1180 1.0 1181 1.0 1179 1180 1181 1182 1183 1.0 1184 1.0 1183 1184 1185 1.0 1186 1.0 1185 1186 1187 1.0 1188 1.0 1192 1.0 1187 1188 1189 1.0 1190 1.0 1191 1.0 1189 1190 1191 1192 1193 1.0 1194 1.0 1193 1194 1195 1.0 1196 1.0 1195 1196 1197 1.0 1198 1.0 1199 1.0 1197 1198 1199 1200 1.0 1201 1.0 1200 1201 1202 1.0 1203 1.0 1202 1203 1204 1.0 1205 1.0 1221 1.0 1204 1205 1206 1.0 1207 1.0 1208 1.0 1206 1207 1208 1209 1.0 1210 1.0 1211 1.0 1209 1210 1211 1212 1.0 1213 1.0 1214 1.0 1212 1213 1214 1215 1.0 1216 1.0 1217 1.0 1215 1216 1217 1218 1.0 1219 1.0 1220 1.0 1218 1219 1220 1221 1222 1.0 1223 1.0 1222 1223 1224 1.0 1225 1.0 1224 1225 1226 1.0 1227 1.0 1240 1.0 1226 1227 1228 1.0 1229 1.0 1230 1.0 1228 1229 1230 1231 1.0 1232 1.0 1236 1.0 1231 1232 1233 1.0 1234 1.0 1235 1.0 1233 1234 1235 1236 1237 1.0 1238 1.0 1239 1.0 1237 1238 1239 1240 1241 1.0 1242 1.0 1241 1242 1243 1.0 1244 1.0 1243 1244 1245 1.0 1246 1.0 1262 1.0 1245 1246 1247 1.0 1248 1.0 1249 1.0 1247 1248 1249 1250 1.0 1251 1.0 1252 1.0 1250 1251 1252 1253 1.0 1254 1.0 1255 1.0 1253 1254 1255 1256 1.0 1257 1.0 1258 1.0 1256 1257 1258 1259 1.0 1260 1.0 1261 1.0 1259 1260 1261 1262 1263 1.0 1264 1.0 1263 1264 1265 1.0 1266 1.0 1265 1266 1267 1.0 1268 1.0 1272 1.0 1267 1268 1269 1.0 1270 1.0 1271 1.0 1269 1270 1271 1272 1273 1.0 1274 1.0 1273 1274 1275 1.0 1276 1.0 1275 1276 1277 1.0 1278 1.0 1287 1.0 1277 1278 1279 1.0 1280 1.0 1281 1.0 1279 1280 1281 1282 1.0 1283 1.0 1284 1.0 1282 1283 1284 1285 1.0 1286 1.0 1285 1286 1287 1288 1.0 1289 1.0 1288 1289 1290 1.0 1291 1.0 1290 1291 1292 1.0 1293 1.0 1294 1.0 1292 1293 1294 1295 1.0 1296 1.0 1295 1296 1297 1.0 1298 1.0 1297 1298 1299 1.0 1300 1.0 1305 1.0 1299 1300 1301 1.0 1302 1.0 1303 1.0 1301 1302 1303 1304 1.0 1304 1305 1306 1.0 1307 1.0 1306 1307 1308 1.0 1309 1.0 1308 1309 1310 1.0 1311 1.0 1320 1.0 1310 1311 1312 1.0 1313 1.0 1314 1.0 1312 1313 1314 1315 1.0 1316 1.0 1317 1.0 1315 1316 1317 1318 1.0 1319 1.0 1318 1319 1320 1321 1.0 1322 1.0 1321 1322 1323 1.0 1324 1.0 1323 1324 1325 1.0 1326 1.0 1339 1.0 1325 1326 1327 1.0 1328 1.0 1332 1.0 1327 1328 1329 1.0 1330 1.0 1331 1.0 1329 1330 1331 1332 1333 1.0 1334 1.0 1335 1.0 1333 1334 1335 1336 1.0 1337 1.0 1338 1.0 1336 1337 1338 1339 1340 1.0 1341 1.0 1340 1341 1342 1.0 1343 1.0 1342 1343 1344 1.0 1345 1.0 1363 1.0 1344 1345 1346 1.0 1347 1.0 1348 1.0 1346 1347 1348 1349 1.0 1350 1.0 1351 1.0 1349 1350 1351 1352 1.0 1353 1.0 1354 1.0 1352 1353 1354 1355 1.0 1356 1.0 1355 1356 1357 1.0 1360 1.0 1357 1358 1.0 1359 1.0 1358 1359 1360 1361 1.0 1362 1.0 1361 1362 1363 1364 1.0 1365 1.0 1364 1365 1366 1.0 1367 1.0 1366 1367 1368 1.0 1369 1.0 1382 1.0 1368 1369 1370 1.0 1371 1.0 1372 1.0 1370 1371 1372 1373 1.0 1374 1.0 1378 1.0 1373 1374 1375 1.0 1376 1.0 1377 1.0 1375 1376 1377 1378 1379 1.0 1380 1.0 1381 1.0 1379 1380 1381 1382 1383 1.0 1384 1.0 1383 1384 1385 1.0 1386 1.0 1385 1386 1387 1.0 1388 1.0 1392 1.0 1387 1388 1389 1.0 1390 1.0 1391 1.0 1389 1390 1391 1392 1393 1.0 1394 1.0 1393 1394 1395 1.0 1396 1.0 1395 1396 1397 1.0 1398 1.0 1404 1.0 1397 1398 1399 1.0 1400 1.0 1401 1.0 1399 1400 1401 1402 1.0 1403 1.0 1402 1403 1404 1405 1.0 1406 1.0 1405 1406 1407 1.0 1408 1.0 1407 1408 1409 1.0 1410 1.0 1420 1.0 1409 1410 1411 1.0 1412 1.0 1416 1.0 1411 1412 1413 1.0 1414 1.0 1415 1.0 1413 1414 1415 1416 1417 1.0 1418 1.0 1419 1.0 1417 1418 1419 1420 1421 1.0 1422 1.0 1421 1422 1423 1.0 1424 1.0 1423 1424 1425 1.0 1426 1.0 1432 1.0 1425 1426 1427 1.0 1428 1.0 1429 1.0 1427 1428 1429 1430 1.0 1431 1.0 1430 1431 1432 1433 1.0 1434 1.0 1433 1434 1435 1.0 1436 1.0 1435 1436 1437 1.0 1438 1.0 1442 1.0 1437 1438 1439 1.0 1440 1.0 1441 1.0 1439 1440 1441 1442 1443 1.0 1444 1.0 1443 1444 1445 1.0 1446 1.0 1445 1446 1447 1.0 1448 1.0 1456 1.0 1447 1448 1449 1.0 1450 1.0 1454 1.0 1449 1450 1451 1.0 1452 1.0 1453 1.0 1451 1452 1453 1454 1455 1.0 1455 1456 1457 1.0 1458 1.0 1457 1458 1459 1.0 1460 1.0 1459 1460 1461 1.0 1462 1.0 1471 1.0 1461 1462 1463 1.0 1464 1.0 1465 1.0 1463 1464 1465 1466 1.0 1467 1.0 1468 1.0 1466 1467 1468 1469 1.0 1470 1.0 1469 1470 1471 1472 1.0 1473 1.0 1472 1473 1474 1.0 1475 1.0 1474 1475 1476 1.0 1477 1.0 1486 1.0 1476 1477 1478 1.0 1479 1.0 1480 1.0 1478 1479 1480 1481 1.0 1482 1.0 1483 1.0 1481 1482 1483 1484 1.0 1485 1.0 1484 1485 1486 1487 1.0 1488 1.0 1487 1488 1489 1.0 1490 1.0 1489 1490 1491 1.0 1492 1.0 1497 1.0 1491 1492 1493 1.0 1494 1.0 1495 1.0 1493 1494 1495 1496 1.0 1496 1497 1498 1.0 1499 1.0 1498 1499 1500 1.0 1501 1.0 1500 1501 1502 1.0 1503 1.0 1509 1.0 1502 1503 1504 1.0 1505 1.0 1506 1.0 1504 1505 1506 1507 1.0 1508 1.0 1507 1508 1509 1510 1.0 1511 1.0 1510 1511 1512 1.0 1513 1.0 1512 1513 1514 1.0 1515 1.0 1528 1.0 1514 1515 1516 1.0 1517 1.0 1518 1.0 1516 1517 1518 1519 1.0 1520 1.0 1524 1.0 1519 1520 1521 1.0 1522 1.0 1523 1.0 1521 1522 1523 1524 1525 1.0 1526 1.0 1527 1.0 1525 1526 1527 1528 1529 1.0 1530 1.0 1529 1530 1531 1.0 1532 1.0 1531 1532 1533 1.0 1534 1.0 1538 1.0 1533 1534 1535 1.0 1536 1.0 1537 1.0 1535 1536 1537 1538 1539 1.0 1540 1.0 1539 1540 1541 1.0 1542 1.0 1541 1542 1543 1.0 1544 1.0 1555 1.0 1543 1544 1545 1.0 1546 1.0 1547 1.0 1545 1546 1547 1548 1.0 1549 1.0 1550 1.0 1548 1549 1550 1551 1.0 1552 1.0 1551 1552 1553 1.0 1554 1.0 1553 1554 1555 1556 1.0 1557 1.0 1556 1557 1558 1.0 1559 1.0 1558 1559 1560 1.0 1561 1.0 1572 1.0 1560 1561 1562 1.0 1563 1.0 1564 1.0 1562 1563 1564 1565 1.0 1566 1.0 1567 1.0 1565 1566 1567 1568 1.0 1569 1.0 1568 1569 1570 1.0 1571 1.0 1570 1571 1572 1573 1.0 1574 1.0 1573 1574 1575 1.0 1576 1.0 1575 1576 1577 1.0 1578 1.0 1593 1.0 1577 1578 1579 1.0 1580 1.0 1581 1.0 1579 1580 1581 1582 1.0 1591 1.0 1582 1583 1.0 1584 1.0 1583 1584 1585 1.0 1586 1.0 1585 1586 1587 1.0 1589 1.0 1587 1588 1.0 1588 1589 1590 1.0 1591 1.0 1590 1591 1592 1.0 1592 1593 1594 1.0 1595 1.0 1594 1595 1596 1.0 1597 1.0 1596 1597 1598 1.0 1599 1.0 1600 1.0 1598 1599 1600 1601 1.0 1602 1.0 1601 1602 1603 1.0 1604 1.0 1603 1604 1605 1.0 1606 1.0 1616 1.0 1605 1606 1607 1.0 1608 1.0 1612 1.0 1607 1608 1609 1.0 1610 1.0 1611 1.0 1609 1610 1611 1612 1613 1.0 1614 1.0 1615 1.0 1613 1614 1615 1616 1617 1.0 1618 1.0 1617 1618 1619 1.0 1620 1.0 1619 1620 1621 1.0 1622 1.0 1640 1.0 1621 1622 1623 1.0 1624 1.0 1625 1.0 1623 1624 1625 1626 1.0 1627 1.0 1628 1.0 1626 1627 1628 1629 1.0 1630 1.0 1631 1.0 1629 1630 1631 1632 1.0 1633 1.0 1632 1633 1634 1.0 1637 1.0 1634 1635 1.0 1636 1.0 1635 1636 1637 1638 1.0 1639 1.0 1638 1639 1640 1641 1.0 1642 1.0 1641 1642 1643 1.0 1644 1.0 1643 1644 1645 1.0 1646 1.0 1647 1.0 1645 1646 1647 1648 1.0 1649 1.0 1648 1649 1650 1.0 1651 1.0 1650 1651 1652 1.0 1653 1.0 1668 1.0 1652 1653 1654 1.0 1655 1.0 1656 1.0 1654 1655 1656 1657 1.0 1666 1.0 1657 1658 1.0 1659 1.0 1658 1659 1660 1.0 1661 1.0 1660 1661 1662 1.0 1664 1.0 1662 1663 1.0 1663 1664 1665 1.0 1666 1.0 1665 1666 1667 1.0 1667 1668 1669 1.0 1670 1.0 1669 1670 1671 1.0 1680 1.0 1671 1672 1.0 1673 1.0 1674 1.0 1672 1673 1674 1675 1.0 1676 1.0 1677 1.0 1675 1676 1677 1678 1.0 1679 1.0 1680 1.0 1678 1679 1680 1681 1.0 1682 1.0 1681 1682 1683 1.0 1684 1.0 1683 1684 1685 1.0 1686 1.0 1685 1686 1687 1.0 1688 1.0 1696 1.0 1687 1688 1689 1.0 1690 1.0 1694 1.0 1689 1690 1691 1.0 1692 1.0 1693 1.0 1691 1692 1693 1694 1695 1.0 1695 1696 1697 1.0 1698 1.0 1697 1698 1699 1.0 1700 1.0 1699 1700 1701 1.0 1702 1.0 1715 1.0 1701 1702 1703 1.0 1704 1.0 1708 1.0 1703 1704 1705 1.0 1706 1.0 1707 1.0 1705 1706 1707 1708 1709 1.0 1710 1.0 1711 1.0 1709 1710 1711 1712 1.0 1713 1.0 1714 1.0 1712 1713 1714 1715 1716 1.0 1717 1.0 1716 1717 1718 1.0 1719 1.0 1718 1719 1720 1.0 1721 1.0 1737 1.0 1720 1721 1722 1.0 1723 1.0 1724 1.0 1722 1723 1724 1725 1.0 1726 1.0 1727 1.0 1725 1726 1727 1728 1.0 1729 1.0 1730 1.0 1728 1729 1730 1731 1.0 1732 1.0 1733 1.0 1731 1732 1733 1734 1.0 1735 1.0 1736 1.0 1734 1735 1736 1737 1738 1.0 1739 1.0 1738 1739 1740 1.0 1741 1.0 1740 1741 1742 1.0 1743 1.0 1757 1.0 1742 1743 1744 1.0 1745 1.0 1746 1.0 1744 1745 1746 1747 1.0 1755 1.0 1747 1748 1.0 1749 1.0 1748 1749 1750 1.0 1751 1.0 1750 1751 1752 1.0 1753 1.0 1752 1753 1754 1.0 1755 1.0 1754 1755 1756 1.0 1756 1757 1758 1.0 1759 1.0 1758 1759 1760 1.0 1761 1.0 1760 1761 1762 1.0 1763 1.0 1777 1.0 1762 1763 1764 1.0 1765 1.0 1766 1.0 1764 1765 1766 1767 1.0 1775 1.0 1767 1768 1.0 1769 1.0 1768 1769 1770 1.0 1771 1.0 1770 1771 1772 1.0 1773 1.0 1772 1773 1774 1.0 1775 1.0 1774 1775 1776 1.0 1776 1777 1778 1.0 1779 1.0 1778 1779 1780 1.0 1781 1.0 1780 1781 1782 1.0 1783 1.0 1801 1.0 1782 1783 1784 1.0 1785 1.0 1786 1.0 1784 1785 1786 1787 1.0 1788 1.0 1789 1.0 1787 1788 1789 1790 1.0 1791 1.0 1792 1.0 1790 1791 1792 1793 1.0 1794 1.0 1793 1794 1795 1.0 1798 1.0 1795 1796 1.0 1797 1.0 1796 1797 1798 1799 1.0 1800 1.0 1799 1800 1801 1802 1.0 1803 1.0 1802 1803 1804 1.0 1805 1.0 1804 1805 1806 1.0 1807 1.0 1815 1.0 1806 1807 1808 1.0 1809 1.0 1810 1.0 1808 1809 1810 1811 1.0 1812 1.0 1811 1812 1813 1.0 1814 1.0 1813 1814 1815 1816 1.0 1817 1.0 1816 1817 1818 1.0 1819 1.0 1818 1819 1820 1.0 1821 1.0 1822 1.0 1820 1821 1822 1823 1.0 1824 1.0 1823 1824 1825 1.0 1826 1.0 1825 1826 1827 1.0 1828 1.0 1834 1.0 1827 1828 1829 1.0 1830 1.0 1831 1.0 1829 1830 1831 1832 1.0 1833 1.0 1832 1833 1834 1835 1.0 1836 1.0 1835 1836 1837 1.0 1838 1.0 1837 1838 1839 1.0 1840 1.0 1848 1.0 1839 1840 1841 1.0 1842 1.0 1846 1.0 1841 1842 1843 1.0 1844 1.0 1845 1.0 1843 1844 1845 1846 1847 1.0 1847 1848 1849 1.0 1850 1.0 1849 1850 1851 1.0 1852 1.0 1851 1852 1853 1.0 1854 1.0 1858 1.0 1853 1854 1855 1.0 1856 1.0 1857 1.0 1855 1856 1857 1858 1859 1.0 1860 1.0 1859 1860 1861 1.0 1862 1.0 1861 1862 1863 1.0 1864 1.0 1869 1.0 1863 1864 1865 1.0 1866 1.0 1867 1.0 1865 1866 1867 1868 1.0 1868 1869 1870 1.0 1871 1.0 1870 1871 1872 1.0 1881 1.0 1872 1873 1.0 1874 1.0 1875 1.0 1873 1874 1875 1876 1.0 1877 1.0 1878 1.0 1876 1877 1878 1879 1.0 1880 1.0 1881 1.0 1879 1880 1881 1882 1.0 1883 1.0 1882 1883 1884 1.0 1885 1.0 1884 1885 1886 1.0 1887 1.0 1886 1887 1888 1.0 1889 1.0 1905 1.0 1888 1889 1890 1.0 1891 1.0 1892 1.0 1890 1891 1892 1893 1.0 1894 1.0 1895 1.0 1893 1894 1895 1896 1.0 1897 1.0 1898 1.0 1896 1897 1898 1899 1.0 1900 1.0 1901 1.0 1899 1900 1901 1902 1.0 1903 1.0 1904 1.0 1902 1903 1904 1905 1906 1.0 1907 1.0 1906 1907 1908 1.0 1909 1.0 1908 1909 1910 1.0 1911 1.0 1920 1.0 1910 1911 1912 1.0 1913 1.0 1914 1.0 1912 1913 1914 1915 1.0 1916 1.0 1917 1.0 1915 1916 1917 1918 1.0 1919 1.0 1918 1919 1920 1921 1.0 1922 1.0 1921 1922 1923 1.0 1924 1.0 1923 1924 1925 1.0 1926 1.0 1941 1.0 1925 1926 1927 1.0 1928 1.0 1929 1.0 1927 1928 1929 1930 1.0 1939 1.0 1930 1931 1.0 1932 1.0 1931 1932 1933 1.0 1934 1.0 1933 1934 1935 1.0 1937 1.0 1935 1936 1.0 1936 1937 1938 1.0 1939 1.0 1938 1939 1940 1.0 1940 1941 1942 1.0 1943 1.0 1942 1943 1944 1.0 1945 1.0 1944 1945 1946 1.0 1947 1.0 1955 1.0 1946 1947 1948 1.0 1949 1.0 1953 1.0 1948 1949 1950 1.0 1951 1.0 1952 1.0 1950 1951 1952 1953 1954 1.0 1954 1955 1956 1.0 1957 1.0 1956 1957 1958 1.0 1959 1.0 1958 1959 1960 1.0 1961 1.0 1965 1.0 1960 1961 1962 1.0 1963 1.0 1964 1.0 1962 1963 1964 1965 1966 1.0 1967 1.0 1966 1967 1968 1.0 1969 1.0 1968 1969 1970 1.0 1971 1.0 1972 1.0 1970 1971 1972 1973 1.0 1974 1.0 1973 1974 1975 1.0 1976 1.0 1975 1976 1977 1.0 1978 1.0 1984 1.0 1977 1978 1979 1.0 1980 1.0 1981 1.0 1979 1980 1981 1982 1.0 1983 1.0 1982 1983 1984 1985 1.0 1986 1.0 1985 1986 1987 1.0 1988 1.0 1987 1988 1989 1.0 1990 1.0 1999 1.0 1989 1990 1991 1.0 1992 1.0 1993 1.0 1991 1992 1993 1994 1.0 1995 1.0 1996 1.0 1994 1995 1996 1997 1.0 1998 1.0 1997 1998 1999 2000 1.0 2001 1.0 2000 2001 2002 1.0 2003 1.0 2002 2003 2004 1.0 2005 1.0 2009 1.0 2004 2005 2006 1.0 2007 1.0 2008 1.0 2006 2007 2008 2009 2010 1.0 2011 1.0 2010 2011 2012 1.0 2013 1.0 2012 2013 2014 1.0 2015 1.0 2021 1.0 2014 2015 2016 1.0 2017 1.0 2018 1.0 2016 2017 2018 2019 1.0 2020 1.0 2019 2020 2021 2022 1.0 2023 1.0 2022 2023 2024 1.0 2025 1.0 2024 2025 2026 1.0 2027 1.0 2033 1.0 2026 2027 2028 1.0 2029 1.0 2030 1.0 2028 2029 2030 2031 1.0 2032 1.0 2031 2032 2033 2034 1.0 2035 1.0 2034 2035 2036 1.0 2037 1.0 2036 2037 2038 1.0 2039 1.0 2052 1.0 2038 2039 2040 1.0 2041 1.0 2045 1.0 2040 2041 2042 1.0 2043 1.0 2044 1.0 2042 2043 2044 2045 2046 1.0 2047 1.0 2048 1.0 2046 2047 2048 2049 1.0 2050 1.0 2051 1.0 2049 2050 2051 2052 2053 1.0 2054 1.0 2053 2054 2055 1.0 2056 1.0 2055 2056 2057 1.0 2058 1.0 2068 1.0 2057 2058 2059 1.0 2060 1.0 2064 1.0 2059 2060 2061 1.0 2062 1.0 2063 1.0 2061 2062 2063 2064 2065 1.0 2066 1.0 2067 1.0 2065 2066 2067 2068 2069 1.0 2070 1.0 2069 2070 2071 1.0 2072 1.0 2071 2072 2073 1.0 2074 1.0 2082 1.0 2073 2074 2075 1.0 2076 1.0 2077 1.0 2075 2076 2077 2078 1.0 2079 1.0 2078 2079 2080 1.0 2081 1.0 2080 2081 2082 2083 1.0 2084 1.0 2083 2084 2085 1.0 2086 1.0 2085 2086 2087 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7070 7071 7072 1.0 7073 1.0 7072 7073 1.0 7073 7074 7075 1.0 7076 1.0 7075 7076 1.0 7076 7077 7078 1.0 7079 1.0 7078 7079 1.0 7079 7080 7081 1.0 7082 1.0 7081 7082 1.0 7082 7083 7084 1.0 7085 1.0 7084 7085 1.0 7085 7086 7087 1.0 7088 1.0 7087 7088 1.0 7088 7089 7090 1.0 7091 1.0 7090 7091 1.0 7091 7092 7093 1.0 7094 1.0 7093 7094 1.0 7094 7095 7096 1.0 7097 1.0 7096 7097 1.0 7097 7098 7099 1.0 7100 1.0 7099 7100 1.0 7100 7101 7102 1.0 7103 1.0 7102 7103 1.0 7103 7104 7105 1.0 7106 1.0 7105 7106 1.0 7106 7107 7108 1.0 7109 1.0 7108 7109 1.0 7109 7110 7111 1.0 7112 1.0 7111 7112 1.0 7112 7113 7114 1.0 7115 1.0 7114 7115 1.0 7115 7116 7117 1.0 7118 1.0 7117 7118 1.0 7118 7119 7120 1.0 7121 1.0 7120 7121 1.0 7121 7122 7123 1.0 7124 1.0 7123 7124 1.0 7124 7125 7126 1.0 7127 1.0 7126 7127 1.0 7127 7128 7129 1.0 7130 1.0 7129 7130 1.0 7130 7131 7132 1.0 7133 1.0 7132 7133 1.0 7133 7134 7135 1.0 7136 1.0 7135 7136 1.0 7136 7137 7138 1.0 7139 1.0 7138 7139 1.0 7139 7140 7141 1.0 7142 1.0 7141 7142 1.0 7142 7143 7144 1.0 7145 1.0 7144 7145 1.0 7145 7146 7147 1.0 7148 1.0 7147 7148 1.0 7148 7149 7150 1.0 7151 1.0 7150 7151 1.0 7151 7152 7153 1.0 7154 1.0 7153 7154 1.0 7154 7155 7156 1.0 7157 1.0 7156 7157 1.0 7157 7158 7159 1.0 7160 1.0 7159 7160 1.0 7160 7161 7162 1.0 7163 1.0 7162 7163 1.0 7163 7164 7165 1.0 7166 1.0 7165 7166 1.0 7166 7167 VDW C* 1.9080 0.0860 VDW H5 1.3590 0.0150 VDW H4 1.4090 0.0150 VDW HA 1.4590 0.0150 VDW H1 1.3870 0.0157 VDW N3 1.8240 0.1700 VDW N2 1.8240 0.1700 VDW O2 1.6612 0.2100 VDW CN 1.9080 0.0860 VDW NA 1.8240 0.1700 VDW NB 1.8240 0.1700 VDW HS 0.6000 0.0157 VDW HP 1.1000 0.0157 VDW CB 1.9080 0.0860 VDW CC 1.9080 0.0860 VDW OW 1.7683 0.1520 VDW CA 1.9080 0.0860 VDW S 2.0000 0.2500 VDW OH 1.7210 0.2104 VDW CW 1.9080 0.0860 VDW N 1.8240 0.1700 VDW O 1.6612 0.2100 VDW SH 2.0000 0.2500 VDW HC 1.4870 0.0157 VDW H 0.6000 0.0157 VDW CR 1.9080 0.0860 VDW CV 1.9080 0.0860 VDW C 1.9080 0.0860 VDW CT 1.9080 0.1094 HrmStr1 CT H1 340.00 1.0900 HrmStr1 CT HC 340.00 1.0900 HrmStr1 CT HP 340.00 1.0900 HrmStr1 N3 H 434.00 1.0100 HrmStr1 N H 434.00 1.0100 HrmStr1 N2 H 434.00 1.0100 HrmStr1 SH HS 274.00 1.3360 HrmStr1 CV H4 367.00 1.0800 HrmStr1 CR H5 367.00 1.0800 HrmStr1 NA H 434.00 1.0100 HrmStr1 OH HO 553.00 0.9600 HrmStr1 CA HA 367.00 1.0800 HrmStr1 CW H4 367.00 1.0800 HrmStr1 HW HW 553.00 1.5136 HrmStr1 OW HW 553.00 0.9572 HrmStr1 C O 570.00 1.2290 HrmStr1 C N 490.00 1.3350 HrmStr1 S CT 227.00 1.8100 HrmStr1 CT CT 310.00 1.5260 HrmStr1 CT C 317.00 1.5220 HrmStr1 N3 CT 367.00 1.4710 HrmStr1 N CT 337.00 1.4490 HrmStr1 CA N2 481.00 1.3400 HrmStr1 CT N2 337.00 1.4630 HrmStr1 CT SH 237.00 1.8100 HrmStr1 C O2 656.00 1.2500 HrmStr1 NB CV 410.00 1.3940 HrmStr1 CR NB 488.00 1.3350 HrmStr1 NA CR 477.00 1.3430 HrmStr1 CC NA 422.00 1.3850 HrmStr1 CC CV 512.00 1.3750 HrmStr1 CT CC 317.00 1.5040 HrmStr1 CT OH 320.00 1.4100 HrmStr1 CA CA 469.00 1.4000 HrmStr1 CT CA 317.00 1.5100 HrmStr1 C OH 450.00 1.3640 HrmStr1 C CA 469.00 1.4090 HrmStr1 CA CB 469.00 1.4040 HrmStr1 CN CA 469.00 1.4000 HrmStr1 CN CB 447.00 1.4190 HrmStr1 NA CN 428.00 1.3800 HrmStr1 CW NA 427.00 1.3810 HrmStr1 C* CW 546.00 1.3520 HrmStr1 C* CB 388.00 1.4590 HrmStr1 CT C* 317.00 1.4950 HrmStr1 S S 166.00 2.0380 HrmBnd1 HW HW OW 0.00 0.00 HrmBnd1 HW OW HW 0.00 0.00 HrmBnd1 H1 CT HC 35.00 109.5000 #mimick H1-CT-HC HrmBnd1 C N H 50.00 120.0001 HrmBnd1 H1 CT H1 35.00 109.5000 HrmBnd1 S CT H1 50.00 109.5000 HrmBnd1 HC CT CT 50.00 109.5000 HrmBnd1 HC CT HC 35.00 109.5000 HrmBnd1 CT CT H1 50.00 109.5000 HrmBnd1 HP CT CT 50.00 109.5000 HrmBnd1 HP CT C 50.00 109.5000 HrmBnd1 H N3 CT 50.00 109.5000 HrmBnd1 H N3 H 35.00 109.5000 HrmBnd1 N3 CT HP 50.00 109.5000 HrmBnd1 H1 CT C 50.00 109.5000 HrmBnd1 H N CT 50.00 118.0401 HrmBnd1 N CT H1 50.00 109.5000 HrmBnd1 H N2 H 35.00 120.0001 HrmBnd1 CA N2 H 50.00 120.0001 HrmBnd1 H1 CT N2 50.00 109.5000 HrmBnd1 CT N2 H 50.00 118.4001 HrmBnd1 H1 CT SH 50.00 109.5000 HrmBnd1 CT SH HS 43.00 96.0000 HrmBnd1 HC CT C 50.00 109.5000 HrmBnd1 NB CV H4 50.00 120.0001 HrmBnd1 H5 CR NB 50.00 120.0001 HrmBnd1 H NA CR 50.00 120.0001 HrmBnd1 NA CR H5 50.00 120.0001 HrmBnd1 CC NA H 50.00 120.0001 HrmBnd1 CC CV H4 50.00 120.0001 HrmBnd1 HC CT CC 50.00 109.5000 HrmBnd1 HP CT HP 35.00 109.5000 HrmBnd1 H1 CT OH 50.00 109.5000 HrmBnd1 CT OH HO 55.00 108.5000 HrmBnd1 H N H 35.00 120.0001 HrmBnd1 HA CA CA 50.00 120.0001 HrmBnd1 HC CT CA 50.00 109.5000 HrmBnd1 C OH HO 50.00 113.0000 HrmBnd1 C CA HA 50.00 120.0001 HrmBnd1 HA CA CB 50.00 120.0001 HrmBnd1 CN CA HA 50.00 120.0001 HrmBnd1 H NA CN 50.00 123.1001 HrmBnd1 H4 CW NA 50.00 120.0001 HrmBnd1 CW NA H 50.00 120.0001 HrmBnd1 C* CW H4 50.00 120.0001 HrmBnd1 HC CT C* 50.00 109.5000 HrmBnd1 O C N 80.00 122.9001 HrmBnd1 C N CT 50.00 121.9001 HrmBnd1 CT S CT 62.00 98.9000 HrmBnd1 CT CT C 63.00 111.1000 HrmBnd1 CT CT S 50.00 114.7000 HrmBnd1 CT CT CT 40.00 109.5000 HrmBnd1 CT C O 80.00 120.4001 HrmBnd1 CT C N 70.00 116.6000 HrmBnd1 N3 CT CT 80.00 111.2000 HrmBnd1 N3 CT C 80.00 111.2000 HrmBnd1 N CT CT 80.00 109.7000 HrmBnd1 N CT C 63.00 110.1000 HrmBnd1 N2 CA N2 70.00 120.0001 HrmBnd1 CT N2 CA 50.00 123.2001 HrmBnd1 CT CT N2 80.00 111.2000 HrmBnd1 CT CT SH 50.00 108.6000 HrmBnd1 O2 C O2 80.00 126.0001 HrmBnd1 CT C O2 70.00 117.0001 HrmBnd1 CT N CT 50.00 118.0001 HrmBnd1 CR NB CV 70.00 117.0001 HrmBnd1 NA CC CV 70.00 120.0001 HrmBnd1 NA CR NB 70.00 120.0001 HrmBnd1 CC NA CR 70.00 120.0001 HrmBnd1 CC CV NB 70.00 120.0001 HrmBnd1 CT CC NA 70.00 120.0001 HrmBnd1 CT CC CV 70.00 120.0001 HrmBnd1 CT CT CC 63.00 113.1000 HrmBnd1 CT CT OH 50.00 109.5000 HrmBnd1 CA CA CA 63.00 120.0001 HrmBnd1 CT CA CA 70.00 120.0001 HrmBnd1 CT CT CA 63.00 114.0000 HrmBnd1 OH C CA 70.00 120.0001 HrmBnd1 C CA CA 63.00 120.0001 HrmBnd1 CA C CA 63.00 120.0001 HrmBnd1 CA CA CB 63.00 120.0001 HrmBnd1 CA CN CB 63.00 122.7001 HrmBnd1 CN CA CA 63.00 120.0001 HrmBnd1 CN CB CA 63.00 116.2000 HrmBnd1 NA CN CA 70.00 132.8001 HrmBnd1 NA CN CB 70.00 104.4000 HrmBnd1 CW C* CB 63.00 106.4000 HrmBnd1 CW NA CN 70.00 111.6000 HrmBnd1 C* CW NA 70.00 108.7000 HrmBnd1 C* CB CN 63.00 108.8000 HrmBnd1 C* CB CA 63.00 134.9001 HrmBnd1 CT C* CW 70.00 125.0001 HrmBnd1 CT C* CB 70.00 128.6001 HrmBnd1 CT CT C* 63.00 115.6000 HrmBnd1 S S CT 68.00 103.7000 AmbTrs CT CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs O2 C CT CT 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs O2 C CT N3 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N3 CT CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT C O 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT C N 0 0 0 0 0.200 0.200 0.400 0.000 1.0 AmbTrs CT C N CT 0 180 0 0 0.000 2.500 0.000 0.000 1.0 AmbTrs C N CT C 0 0 0 0 0.000 0.270 0.420 0.000 1.0 AmbTrs C N CT CT 0 0 0 0 2.000 2.000 0.400 0.000 1.0 AmbTrs N CT C N 180 180 180 0 0.450 1.580 0.550 0.000 1.0 AmbTrs N CT C O 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N CT CT S 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT S S 0 0 0 0 0.000 0.000 0.333 0.000 1.0 AmbTrs CT N C O 0 180 0 0 0.000 2.500 0.000 0.000 1.0 AmbTrs CT S S CT 0 0 0 0 0.000 3.500 0.600 0.000 1.0 AmbTrs S CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N CT C O2 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N CT CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT CT CT 180 180 0 0 0.200 0.250 0.180 0.000 1.0 AmbTrs CT N CT C 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT N CT CT 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs C CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N CT CT CC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT CC CV 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT CC NA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CC CV NB 0 180 0 0 0.000 5.150 0.000 0.000 1.0 AmbTrs CT CC NA CR 0 180 0 0 0.000 1.400 0.000 0.000 1.0 AmbTrs CC CV NB CR 0 180 0 0 0.000 2.400 0.000 0.000 1.0 AmbTrs CC NA CR NB 0 180 0 0 0.000 2.325 0.000 0.000 1.0 AmbTrs CC CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs NA CR NB CV 0 180 0 0 0.000 5.000 0.000 0.000 1.0 AmbTrs NA CC CV NB 0 180 0 0 0.000 5.150 0.000 0.000 1.0 AmbTrs CR NA CC CV 0 180 0 0 0.000 1.400 0.000 0.000 1.0 AmbTrs N CT CT CA 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT CA CA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CA CA CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CA CA CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N CT CT OH 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs OH CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT CT N2 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT N2 CA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT N2 CA N2 0 180 0 0 0.000 2.400 0.000 0.000 1.0 AmbTrs CA CA CA C 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CA C CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CA C OH 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs N CT CT C* 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT C* CB 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT C* CW 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT C* CB CA 0 180 0 0 0.000 1.675 0.000 0.000 1.0 AmbTrs CT C* CB CN 0 180 0 0 0.000 1.675 0.000 0.000 1.0 AmbTrs CT C* CW NA 0 180 0 0 0.000 6.525 0.000 0.000 1.0 AmbTrs C* CB CA CA 0 180 0 0 0.000 3.500 0.000 0.000 1.0 AmbTrs C* CB CN CA 0 180 0 0 0.000 3.000 0.000 0.000 1.0 AmbTrs C* CB CN NA 0 180 0 0 0.000 3.000 0.000 0.000 1.0 AmbTrs C* CW NA CN 0 180 0 0 0.000 1.500 0.000 0.000 1.0 AmbTrs C* CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CW NA CN CB 0 180 0 0 0.000 1.525 0.000 0.000 1.0 AmbTrs CW NA CN CA 0 180 0 0 0.000 1.525 0.000 0.000 1.0 AmbTrs CW C* CB CA 0 180 0 0 0.000 1.675 0.000 0.000 1.0 AmbTrs CW C* CB CN 0 180 0 0 0.000 1.675 0.000 0.000 1.0 AmbTrs NA CN CB CA 0 180 0 0 0.000 3.000 0.000 0.000 1.0 AmbTrs NA CN CA CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs NA CW C* CB 0 180 0 0 0.000 6.525 0.000 0.000 1.0 AmbTrs CN CB CA CA 0 180 0 0 0.000 3.500 0.000 0.000 1.0 AmbTrs CN CA CA CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CN CB CA 0 180 0 0 0.000 3.000 0.000 0.000 1.0 AmbTrs CA CA CA CB 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CA CN CB 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs N CT CT SH 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs SH CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N3 CT C N 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N3 CT C O 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT CT S 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT S CT 0 0 0 0 0.000 0.000 0.333 0.000 1.0 AmbTrs CT CT CT HC 0 0 0 0 0.000 0.000 0.160 0.000 1.0 AmbTrs C CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs C CT N3 H 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs O2 C CT HP 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N3 CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H N3 CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H N3 CT HP 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs HP CT CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs HP CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs HC CT CT HC 0 0 0 0 0.000 0.000 0.150 0.000 1.0 AmbTrs CT C N H 0 180 0 0 0.000 2.500 0.000 0.000 1.0 AmbTrs HC CT C O 0 0 180 0 0.800 0.000 0.080 0.000 1.0 AmbTrs HC CT C N 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs C N CT H1 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N CT CT H1 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT N H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs S S CT H1 0 0 0 0 0.000 0.000 0.333 0.000 1.0 AmbTrs S CT CT H1 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs C CT N H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs C CT CT H1 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N C CT H1 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs O2 C CT H1 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs H1 CT N H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs H N C O 0 180 0 0 2.000 2.500 0.000 0.000 1.0 AmbTrs O C CT H1 0 0 180 0 0.800 0.000 0.080 0.000 1.0 AmbTrs H1 CT CT H1 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H1 CT CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H1 CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT N CT H1 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs H1 CT CT CC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CC CV H4 0 180 0 0 0.000 5.150 0.000 0.000 1.0 AmbTrs CT CC NA H 0 180 0 0 0.000 1.400 0.000 0.000 1.0 AmbTrs HC CT CC CV 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HC CT CC NA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CC NA CR H5 0 180 0 0 0.000 2.325 0.000 0.000 1.0 AmbTrs NA CC CV H4 0 180 0 0 0.000 5.150 0.000 0.000 1.0 AmbTrs H NA CR NB 0 180 0 0 0.000 2.325 0.000 0.000 1.0 AmbTrs H NA CR H5 0 180 0 0 0.000 2.325 0.000 0.000 1.0 AmbTrs H NA CC CV 0 180 0 0 0.000 1.400 0.000 0.000 1.0 AmbTrs CR NB CV H4 0 180 0 0 0.000 2.400 0.000 0.000 1.0 AmbTrs H5 CR NB CV 0 180 0 0 0.000 5.000 0.000 0.000 1.0 AmbTrs H1 CT CT CA 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CA CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HC CT CA CA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CA CA CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HA CA CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HC CT C O2 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT OH HO 0 0 0 0 0.250 0.000 0.160 0.000 1.0 AmbTrs H1 CT CT OH 0 0 0 0 0.250 0.000 0.000 0.000 1.0 AmbTrs H1 CT OH HO 0 0 0 0 0.000 0.000 0.167 0.000 1.0 AmbTrs HC CT CT OH 0 0 0 0 0.250 0.000 0.000 0.000 1.0 AmbTrs CT CT N2 H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HC CT CT N2 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H1 CT N2 CA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs H1 CT N2 H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N2 CA N2 H 0 180 0 0 0.000 2.400 0.000 0.000 1.0 AmbTrs HA CA CA C 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA C CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA C OH HO 0 180 0 0 0.000 2.300 0.000 0.000 1.0 AmbTrs HA CA C OH 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs H1 CT CT C* 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT C* CW H4 0 180 0 0 0.000 6.525 0.000 0.000 1.0 AmbTrs HC CT C* CB 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HC CT C* CW 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs C* CB CA HA 0 180 0 0 0.000 3.500 0.000 0.000 1.0 AmbTrs C* CW NA H 0 180 0 0 0.000 1.500 0.000 0.000 1.0 AmbTrs H4 CW NA CN 0 180 0 0 0.000 1.500 0.000 0.000 1.0 AmbTrs H4 CW NA H 0 180 0 0 0.000 1.500 0.000 0.000 1.0 AmbTrs H4 CW C* CB 0 180 0 0 0.000 6.525 0.000 0.000 1.0 AmbTrs NA CN CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs H NA CN CB 0 180 0 0 0.000 1.525 0.000 0.000 1.0 AmbTrs H NA CN CA 0 180 0 0 0.000 1.525 0.000 0.000 1.0 AmbTrs CN CB CA HA 0 180 0 0 0.000 3.500 0.000 0.000 1.0 AmbTrs CN CA CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HA CA CN CB 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HA CA CA CB 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CT CT SH HS 0 0 0 0 0.000 0.000 0.250 0.000 1.0 AmbTrs H1 CT CT SH 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H1 CT SH HS 0 0 0 0 0.000 0.000 0.250 0.000 1.0 AmbTrs HP CT C N 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HP CT C O 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HC CT CT S 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT S CT H1 0 0 0 0 0.000 0.000 0.333 0.000 1.0 ImpTrs CT O2 C O2 10.5 180.0 2.0 ImpTrs CT N C O 10.5 180.0 2.0 ImpTrs C CT N CT 1.0 180.0 2.0 ImpTrs CT CV CC NA 1.1 180.0 2.0 ImpTrs CA CA CA CT 1.1 180.0 2.0 ImpTrs N2 N2 CA N2 10.5 180.0 2.0 ImpTrs CA CA C OH 1.1 180.0 2.0 ImpTrs CB CT C* CW 1.1 180.0 2.0 ImpTrs C CT N H 1.1 180.0 2.0 ImpTrs C H N H 1.0 180.0 2.0 ImpTrs CC CR NA H 1.0 180.0 2.0 ImpTrs NA NB CR H5 1.1 180.0 2.0 ImpTrs CC NB CV H4 1.1 180.0 2.0 ImpTrs CA CA CA HA 1.1 180.0 2.0 ImpTrs CT CA N2 H 1.0 180.0 2.0 ImpTrs CA H N2 H 1.0 180.0 2.0 ImpTrs CA C CA HA 1.1 180.0 2.0 ImpTrs C* NA CW H4 1.1 180.0 2.0 ImpTrs CW CN NA H 1.0 180.0 2.0 ImpTrs CN CA CA HA 1.1 180.0 2.0 ImpTrs CA CB CA HA 1.1 180.0 2.0 --Link1-- %mem=54GB %nprocshared=16 %chk=domain-ab-TS3.chk # oniom(mpwpw91/6-31g(d):amber=softfirst)=embedcharge iop(3/76=0594004060) nosymm freq=(noraman,savenormalmodes,modelmodes) geom=connectivity temperature=310 pressure=1.0 9_GSHox-Cys53_Cys56-C2.rtf -11 1 0 1 0 1 C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=47) 0 -13.610876 -6.987382 0.691469 H H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=47) 0 -12.971709 -7.560427 1.360323 H H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=47) 0 -13.862417 -6.089604 1.250149 H C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=47) 0 -14.898029 -7.759463 0.463767 H H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=47) 0 -15.569977 -7.252035 -0.236513 H H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=47) 0 -14.729759 -8.751509 0.045561 H C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=47) 0 -15.706032 -7.887339 1.744877 H O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=47) 0 -16.619135 -8.839302 1.778811 H O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=47) 0 -15.574979 -7.151644 2.691908 H C-CT--0.027500(PDBName=CA,ResName=TRP,ResNum=52) 0 -24.896276 -13.909838 -3.405292 L H-H1-0.112300(PDBName=HA,ResName=TRP,ResNum=52) 0 -25.431247 -14.103732 -2.476471 L C-C-0.597300(PDBName=C,ResName=TRP,ResNum=52) 0 -23.742156 -14.935301 -3.476642 L O-O--0.567900(PDBName=O,ResName=TRP,ResNum=52) 0 -24.043599 -16.123951 -3.339654 L N-N--0.415700(PDBName=N,ResName=CYM,ResNum=53) 0 -22.468529 -14.537983 -3.668651 L H-HC 16 0.0000 H-H-0.271900(PDBName=H,ResName=CYM,ResNum=53) 0 -22.246074 -13.549866 -3.690319 L C-CT--0.035100(PDBName=CA,ResName=CYM,ResNum=53) 0 -21.353178 -15.463012 -3.905936 H H-H1-0.050800(PDBName=HA,ResName=CYM,ResNum=53) 0 -21.676500 -16.219234 -4.622972 H C-CT--0.241300(PDBName=CB,ResName=CYM,ResNum=53) 0 -20.206941 -14.678099 -4.543701 H H-H1-0.112200(PDBName=HB3,ResName=CYM,ResNum=53) 0 -19.946013 -13.764008 -4.004637 H H-H1-0.112200(PDBName=HB2,ResName=CYM,ResNum=53) 0 -20.453547 -14.403150 -5.567335 H S-SH--0.884400(PDBName=SG,ResName=CYM,ResNum=53) 0 -18.598360 -15.523035 -4.590977 H C-C-0.597300(PDBName=C,ResName=CYM,ResNum=53) 0 -21.009718 -16.110404 -2.585125 H O-O--0.567900(PDBName=O,ResName=CYM,ResNum=53) 0 -20.746850 -15.446236 -1.594655 H N-N--0.415700(PDBName=N,ResName=GLY,ResNum=54) 0 -20.982413 -17.461657 -2.552935 H H-H-0.271900(PDBName=H,ResName=GLY,ResNum=54) 0 -21.420326 -17.963474 -3.318678 H C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=54) 0 -20.800804 -18.153778 -1.301484 H H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=54) 0 -21.565393 -17.900834 -0.571354 H H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=54) 0 -20.854624 -19.224964 -1.490677 H C-C-0.597300(PDBName=C,ResName=GLY,ResNum=54) 0 -19.458115 -17.850851 -0.669138 H O-O--0.567900(PDBName=O,ResName=GLY,ResNum=54) 0 -19.302161 -17.817177 0.541880 H N-N--0.415700(PDBName=N,ResName=HID,ResNum=55) 0 -18.473871 -17.653842 -1.547761 H H-H-0.271900(PDBName=H,ResName=HID,ResNum=55) 0 -18.718895 -17.621193 -2.523437 H C-CT-0.018800(PDBName=CA,ResName=HID,ResNum=55) 0 -17.126853 -17.322394 -1.176788 H H-H1-0.088100(PDBName=HA,ResName=HID,ResNum=55) 0 -16.804216 -17.989377 -0.378429 H C-CT--0.046200(PDBName=CB,ResName=HID,ResNum=55) 0 -16.246999 -17.519813 -2.420215 H H-HC-0.040200(PDBName=HB2,ResName=HID,ResNum=55) 0 -16.602522 -16.864962 -3.215430 H H-HC-0.040200(PDBName=HB3,ResName=HID,ResNum=55) 0 -15.233134 -17.201906 -2.208808 H C-CC--0.026600(PDBName=CG,ResName=HID,ResNum=55) 0 -16.271584 -18.930930 -2.898670 H N-NA--0.381100(PDBName=ND1,ResName=HID,ResNum=55) 0 -15.394609 -19.896816 -2.469269 H H-H-0.364900(PDBName=HD1,ResName=HID,ResNum=55) 0 -14.471413 -19.746180 -2.081947 H C-CR-0.205700(PDBName=CE1,ResName=HID,ResNum=55) 0 -15.745538 -21.057304 -3.048309 H H-H5-0.139200(PDBName=HE1,ResName=HID,ResNum=55) 0 -15.190605 -21.967810 -2.914063 H N-NB--0.572700(PDBName=NE2,ResName=HID,ResNum=55) 0 -16.821149 -20.924021 -3.783260 H C-CV-0.129200(PDBName=CD2,ResName=HID,ResNum=55) 0 -17.147899 -19.597515 -3.706176 H H-H4-0.114700(PDBName=HD2,ResName=HID,ResNum=55) 0 -17.980177 -19.196294 -4.257565 H C-C-0.597300(PDBName=C,ResName=HID,ResNum=55) 0 -17.054937 -15.918825 -0.565019 H O-O--0.567900(PDBName=O,ResName=HID,ResNum=55) 0 -16.419598 -15.709914 0.465075 H N-N--0.415700(PDBName=N,ResName=CYS,ResNum=56) 0 -17.777495 -14.971116 -1.161225 H H-H-0.271900(PDBName=H,ResName=CYS,ResNum=56) 0 -18.148430 -15.117753 -2.086141 H C-CT-0.021300(PDBName=CA,ResName=CYS,ResNum=56) 0 -17.865137 -13.644110 -0.612035 H H-H1-0.112400(PDBName=HA,ResName=CYS,ResNum=56) 0 -16.864562 -13.233314 -0.496001 H C-CT--0.123100(PDBName=CB,ResName=CYS,ResNum=56) 0 -18.705835 -12.727421 -1.506256 H H-H1-0.111200(PDBName=HB2,ResName=CYS,ResNum=56) 0 -19.662495 -13.209154 -1.701884 H H-H1-0.111200(PDBName=HB3,ResName=CYS,ResNum=56) 0 -18.933520 -11.830071 -0.929465 H S-SH--0.311900(PDBName=SG,ResName=CYS,ResNum=56) 0 -17.827528 -12.320326 -3.030955 H H-HS-0.193300(PDBName=HG,ResName=CYS,ResNum=56) 0 -16.865915 -11.039727 -0.786604 H C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=120) 0 -11.748692 -15.860750 1.388092 H H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=120) 0 -12.063365 -16.898276 1.484451 H H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=120) 0 -12.539159 -15.213817 1.760944 H N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=120) 0 -11.431455 -15.545292 0.016841 H H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=120) 0 -10.537274 -15.119462 -0.193444 H C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=120) 0 -12.029532 -16.121336 -1.015907 H N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=120) 0 -13.138782 -16.831778 -0.851163 H H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=120) 0 -13.651338 -16.822664 0.009065 H H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=120) 0 -13.389274 -17.447520 -1.622163 H N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=120) 0 -11.544127 -15.967816 -2.237850 H H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=120) 0 -10.611346 -15.610564 -2.368195 H H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=120) 0 -12.010213 -16.399279 -3.023782 H C-CT-0.090430(PDBName=C1,ResName=GDS,ResNum=238) 0 -11.843935 -19.285625 -4.817719 H C-C-0.795436(PDBName=C15,ResName=GDS,ResNum=238) 0 -12.559166 -19.151868 -3.474022 H O-O2--0.768529(PDBName=O1,ResName=GDS,ResNum=238) 0 -12.575863 -20.139400 -2.710907 H O-O2--0.768529(PDBName=O2,ResName=GDS,ResNum=238) 0 -13.115695 -18.058079 -3.265673 H N-N3--0.516764(PDBName=N1,ResName=GDS,ResNum=238) 0 -10.931060 -20.456667 -4.752450 H H-H-0.336685(PDBName=H21,ResName=GDS,ResNum=238) 0 -11.438818 -21.336432 -4.673688 H H-H-0.336685(PDBName=H22,ResName=GDS,ResNum=238) 0 -10.316351 -20.390350 -3.929851 H H-H-0.336685(PDBName=H25,ResName=GDS,ResNum=238) 0 -10.334901 -20.531138 -5.586039 H H-HP-0.075961(PDBName=H5,ResName=GDS,ResNum=238) 0 -11.208942 -18.415963 -4.969042 H C-CT-0.021774(PDBName=C7,ResName=GDS,ResNum=238) 0 -12.830706 -19.425730 -5.981769 H H-HC-0.040870(PDBName=H9,ResName=GDS,ResNum=238) 0 -13.566527 -20.194719 -5.739359 H H-HC-0.040870(PDBName=H10,ResName=GDS,ResNum=238) 0 -12.294893 -19.761088 -6.870024 H C-CT--0.669382(PDBName=C11,ResName=GDS,ResNum=238) 0 -13.523158 -18.097440 -6.268609 H H-HC-0.225501(PDBName=H17,ResName=GDS,ResNum=238) 0 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C-CT--0.457591(PDBName=C4,ResName=GDS,ResNum=238) 0 -24.500746 -17.202934 -11.760089 H H-H1-0.143996(PDBName=H3,ResName=GDS,ResNum=238) 0 -25.421892 -17.768753 -11.705652 H H-H1-0.143996(PDBName=H4,ResName=GDS,ResNum=238) 0 -24.177225 -17.150497 -12.794163 H H-H-0.267948(PDBName=H30,ResName=GDS,ResNum=238) 0 -23.343427 -16.911192 -10.141147 H O-O--0.591564(PDBName=O11,ResName=GDS,ResNum=238) 0 -23.197643 -19.768283 -11.458462 H N-N--0.847389(PDBName=N5,ResName=GDS,ResNum=238) 0 -22.350784 -20.037058 -8.656077 H C-C-1.051032(PDBName=C14,ResName=GDS,ResNum=238) 0 -22.861975 -19.798975 -7.443871 H C-CT--0.669382(PDBName=C12,ResName=GDS,ResNum=238) 0 -23.176077 -21.057351 -6.669293 H H-HC-0.225501(PDBName=H19,ResName=GDS,ResNum=238) 0 -22.324728 -21.265739 -6.026274 H H-HC-0.225501(PDBName=H20,ResName=GDS,ResNum=238) 0 -23.307527 -21.871538 -7.374416 H O-O--0.715130(PDBName=O12,ResName=GDS,ResNum=238) 0 -22.997315 -18.671243 -6.958220 H H-H-0.433401(PDBName=H28,ResName=GDS,ResNum=238) 0 -22.240204 -20.999852 -8.991065 H H-H1-0.041154(PDBName=H7,ResName=GDS,ResNum=238) 0 -21.928341 -18.072443 -8.968911 H H-H1-0.190294(PDBName=H13,ResName=GDS,ResNum=238) 0 -20.705655 -20.064175 -10.912690 H H-H1-0.190294(PDBName=H14,ResName=GDS,ResNum=238) 0 -20.353473 -18.355273 -10.793015 H H-H1-0.190294(PDBName=H11,ResName=GDS,ResNum=238) 0 -18.598627 -16.203299 -8.285795 H H-H1-0.190294(PDBName=H12,ResName=GDS,ResNum=238) 0 -17.509040 -15.324689 -7.236914 H C-C-0.499365(PDBName=C16,ResName=GDS,ResNum=238) 0 -16.049120 -16.383076 -9.246588 H O-O--0.591564(PDBName=O10,ResName=GDS,ResNum=238) 0 -15.203598 -15.534928 -9.027250 H N-N--0.214693(PDBName=N3,ResName=GDS,ResNum=238) 0 -16.443799 -16.684625 -10.494394 H C-CT--0.457591(PDBName=C3,ResName=GDS,ResNum=238) 0 -15.853736 -15.996125 -11.656813 L H-H 113 0.0000 C-C-1.004947(PDBName=C17,ResName=GDS,ResNum=238) 0 -16.807176 -15.012362 -12.319387 L O-O2--0.856478(PDBName=O3,ResName=GDS,ResNum=238) 0 -17.944895 -15.441130 -12.619839 L O-O2--0.856478(PDBName=O4,ResName=GDS,ResNum=238) 0 -16.426811 -13.841250 -12.558120 L H-H1-0.143996(PDBName=H1,ResName=GDS,ResNum=238) 0 -15.586299 -16.722913 -12.418974 L H-H1-0.143996(PDBName=H2,ResName=GDS,ResNum=238) 0 -14.967097 -15.429343 -11.389962 L H-H-0.267948(PDBName=H29,ResName=GDS,ResNum=238) 0 -16.946239 -17.537964 -10.738891 H H-H1-0.041154(PDBName=H6,ResName=GDS,ResNum=238) 0 -17.008338 -18.121230 -8.385590 H H-H-0.433401(PDBName=H27,ResName=GDS,ResNum=238) 0 -15.550812 -16.570500 -6.378655 H O-O--0.715130(PDBName=O9,ResName=GDS,ResNum=238) 0 -14.653698 -18.947741 -8.214931 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=252) 0 -17.150411 -19.127096 -11.703053 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=252) 0 -17.978099 -19.043487 -12.241427 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=252) 0 -17.439094 -19.700729 -10.985399 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=254) 0 -16.345749 -23.618353 -4.767238 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=254) 0 -16.757793 -22.757906 -4.604409 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=254) 0 -16.107745 -23.601184 -5.695032 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=256) 0 -19.987761 -14.244828 -7.857752 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=256) 0 -19.717870 -14.479273 -8.764733 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=256) 0 -20.944623 -14.157395 -7.962416 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=268) 0 -22.898854 -18.396334 -4.317268 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=268) 0 -22.921833 -18.512886 -5.306220 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=268) 0 -23.536980 -17.655823 -4.236426 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=373) 0 -16.649102 -10.874225 0.142725 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=373) 0 -16.607982 -9.428989 0.993448 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=373) 0 -17.168863 -11.496763 0.671740 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=800) 0 413.736128 -10.694461 -29.508251 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=800) 0 413.217596 -11.494373 -29.595050 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=800) 0 413.089118 -10.004366 -29.361900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1001) 0 -19.476795 -15.280518 -10.429283 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1001) 0 -20.370967 -15.287451 -10.872093 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1001) 0 -18.928235 -15.377926 -11.251746 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1076) 0 -13.567317 -19.624629 -11.870676 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1076) 0 -13.210853 -18.832520 -12.316287 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1076) 0 -14.383247 -19.331393 -11.459080 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1088) 0 -19.418876 -23.323831 -9.739001 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1088) 0 -19.203845 -23.858715 -10.504150 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1088) 0 -20.312190 -22.982197 -9.917987 H C-C-0.597300(PDBName=C,ResName=CYS,ResNum=56) 0 -18.484122 -13.670062 0.763728 H O-O--0.567900(PDBName=O,ResName=CYS,ResNum=56) 0 -18.131037 -12.878208 1.631359 H N-N--0.347900(PDBName=N,ResName=LYS,ResNum=57) 0 -19.474811 -14.554578 0.933452 H H-H-0.274700(PDBName=H,ResName=LYS,ResNum=57) 0 -19.802441 -15.112477 0.156008 H C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=81) 0 -18.857176 -4.069678 3.251701 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=81) 0 -19.359852 -4.763206 2.576327 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=81) 0 -18.346487 -4.633296 4.034457 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=81) 0 -19.876290 -3.114457 3.883442 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=81) 0 -19.399182 -2.596300 4.721623 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=81) 0 -20.144648 -2.363859 3.134249 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=81) 0 -21.119963 -3.775726 4.340671 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=81) 0 -21.773667 -3.057641 4.654442 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=81) 0 -21.584928 -4.248045 3.577825 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=81) 0 -20.980362 -4.406651 5.124613 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=241) 0 -20.588010 -2.522809 -0.202453 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=241) 0 -20.113019 -1.840868 -0.721565 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=241) 0 -21.510986 -2.297882 -0.411384 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=247) 0 -12.139850 -19.398657 -9.393458 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=247) 0 -13.007115 -19.315820 -8.974799 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=247) 0 -12.363508 -19.653410 -10.299389 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=290) 0 -24.482906 -22.140565 -10.428413 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=290) 0 -25.037346 -21.493524 -9.939547 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=290) 0 -24.132774 -21.578106 -11.131880 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=300) 0 -20.699846 -22.779902 -5.042094 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=300) 0 -21.636574 -22.986741 -4.811223 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=300) 0 -20.163913 -22.906850 -4.249909 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=510) 0 -19.132533 -22.387430 -2.629466 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=510) 0 -18.495992 -22.643245 -1.940082 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=510) 0 -18.591709 -21.809214 -3.184954 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=702) 0 -21.619419 -17.703524 -13.274769 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=702) 0 -22.404154 -18.197743 -13.016337 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=702) 0 -21.721601 -16.869879 -12.778670 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=714) 0 -19.299965 -19.217416 -13.284714 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=714) 0 -20.107865 -18.676341 -13.198821 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=714) 0 -18.923426 -18.937696 -14.138753 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=928) 0 -22.042209 -22.677621 -9.396618 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=928) 0 -22.953131 -22.755365 -9.745831 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=928) 0 -21.896797 -23.255654 -8.622832 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1135) 0 -17.564770 -7.112772 4.973547 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1135) 0 -16.937409 -7.188100 4.242070 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1135) 0 -17.330585 -7.829850 5.575132 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1274) 0 -26.610212 -6.506784 21.061342 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1274) 0 -26.790062 -7.316221 20.573233 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1274) 0 -25.771609 -6.211258 20.637794 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1283) 0 -20.812143 -24.085998 -7.438780 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1283) 0 -20.548805 -23.555235 -6.662992 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1283) 0 -20.092812 -24.022357 -8.087796 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=249) 0 -12.231621 -15.318361 -5.184714 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=249) 0 -13.197324 -15.294149 -5.304404 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=249) 0 -12.057682 -14.381518 -4.940774 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=265) 0 -24.282876 -18.770119 -1.830507 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=265) 0 -23.672471 -18.820764 -2.589716 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=265) 0 -23.903213 -19.454620 -1.239152 L N-N3-0.159200(PDBName=N,ResName=MET,ResNum=1) 0 -13.519088 23.404131 -13.180892 L H-H-0.198400(PDBName=H1,ResName=MET,ResNum=1) 0 -14.002001 22.536362 -13.370529 L H-H-0.198400(PDBName=H2,ResName=MET,ResNum=1) 0 -12.568377 23.188854 -12.902023 L H-H-0.198400(PDBName=H3,ResName=MET,ResNum=1) 0 -13.471016 23.936802 -14.041127 L C-CT-0.022100(PDBName=CA,ResName=MET,ResNum=1) 0 -14.227641 24.161887 -12.134059 L H-HP-0.111600(PDBName=HA,ResName=MET,ResNum=1) 0 -13.742271 25.130906 -12.019066 L C-CT-0.086500(PDBName=CB,ResName=MET,ResNum=1) 0 -15.690852 24.395362 -12.544076 L H-HC-0.012500(PDBName=HB2,ResName=MET,ResNum=1) 0 -15.711666 24.822335 -13.547297 L H-HC-0.012500(PDBName=HB3,ResName=MET,ResNum=1) 0 -16.216997 23.442307 -12.570533 L C-CT-0.033400(PDBName=CG,ResName=MET,ResNum=1) 0 -16.441481 25.347489 -11.609038 L H-H1-0.029200(PDBName=HG2,ResName=MET,ResNum=1) 0 -16.363168 24.987077 -10.582979 L H-H1-0.029200(PDBName=HG3,ResName=MET,ResNum=1) 0 -15.975008 26.331153 -11.672306 L S-S--0.277400(PDBName=SD,ResName=MET,ResNum=1) 0 -18.200118 25.513475 -12.014225 L C-CT--0.034100(PDBName=CE,ResName=MET,ResNum=1) 0 -18.636953 26.946324 -10.995973 L H-H1-0.059700(PDBName=HE1,ResName=MET,ResNum=1) 0 -17.996158 27.792083 -11.248560 L H-H1-0.059700(PDBName=HE2,ResName=MET,ResNum=1) 0 -19.678854 27.216441 -11.169704 L H-H1-0.059700(PDBName=HE3,ResName=MET,ResNum=1) 0 -18.508689 26.696537 -9.944577 L C-C-0.612300(PDBName=C,ResName=MET,ResNum=1) 0 -14.090479 23.406773 -10.819094 L O-O--0.571300(PDBName=O,ResName=MET,ResNum=1) 0 -14.918391 22.554877 -10.488524 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=2) 0 -13.000803 23.663268 -10.097672 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=2) 0 -12.400831 24.430702 -10.390989 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=2) 0 -12.624732 22.936426 -8.888850 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=2) 0 -12.994155 21.916315 -8.981306 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=2) 0 -11.086098 22.872619 -8.808961 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=2) 0 -10.717151 22.343534 -9.688159 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=2) 0 -10.683520 23.886892 -8.833982 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=2) 0 -10.547272 22.168633 -7.549189 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=2) 0 -10.761907 22.773342 -6.670015 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=2) 0 -11.160202 20.788067 -7.347075 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=2) 0 -10.951358 20.152338 -8.207361 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=2) 0 -10.731034 20.338423 -6.455525 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=2) 0 -12.231748 20.858482 -7.186932 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=2) 0 -9.036193 22.012390 -7.652305 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=2) 0 -8.586331 22.995049 -7.766611 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=2) 0 -8.650527 21.552204 -6.742060 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=2) 0 -8.776350 21.386894 -8.506326 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=2) 0 -13.282682 23.550667 -7.647363 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=2) 0 -12.691389 24.402288 -6.979209 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=3) 0 -14.514764 23.131854 -7.336817 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=3) 0 -14.976019 22.477261 -7.957992 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=3) 0 -15.237532 23.564210 -6.129527 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=3) 0 -14.522650 23.558189 -5.307608 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=3) 0 -15.730522 25.010746 -6.337241 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=3) 0 -15.244535 25.442300 -7.210226 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=3) 0 -16.800831 25.034265 -6.523730 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=3) 0 -15.379772 25.889807 -5.132346 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=3) 0 -16.000841 25.601373 -4.287616 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=3) 0 -14.329913 25.750575 -4.869577 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=3) 0 -15.598969 27.368627 -5.457417 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=3) 0 -14.956124 27.631566 -6.297247 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=3) 0 -16.634638 27.534195 -5.754017 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=3) 0 -15.264444 28.229083 -4.314200 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=3) 0 -14.384577 28.726781 -4.337282 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=3) 0 -15.974459 28.386707 -3.216463 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=3) 0 -17.131888 27.828165 -3.029016 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=3) 0 -17.547590 27.255651 -3.754324 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=3) 0 -17.589635 27.960364 -2.146369 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=3) 0 -15.507160 29.112551 -2.253109 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=3) 0 -14.609984 29.563198 -2.374357 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=3) 0 -15.972210 29.123685 -1.354861 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=3) 0 -16.355544 22.593079 -5.726020 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=3) 0 -16.711802 21.710543 -6.502931 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=4) 0 -16.822677 22.719625 -4.478890 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=4) 0 -16.415274 23.477483 -3.940201 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=4) 0 -17.761139 21.868273 -3.716617 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=4) 0 -17.347727 21.853404 -2.708592 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=4) 0 -19.149123 22.511086 -3.573596 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=4) 0 -19.040968 23.577541 -3.368802 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=4) 0 -19.717272 22.388666 -4.491047 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=4) 0 -19.910087 21.860775 -2.411142 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=4) 0 -19.900093 20.775048 -2.513738 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=4) 0 -19.420091 22.127080 -1.474875 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=4) 0 -21.365934 22.318712 -2.384363 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=4) 0 -21.408753 23.406901 -2.306636 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=4) 0 -21.831561 22.006104 -3.319291 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=4) 0 -22.076487 21.708737 -1.251395 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=4) 0 -21.509494 21.365640 -0.481782 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=4) 0 -23.379207 21.594869 -1.103449 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=4) 0 -24.228325 22.053773 -1.972006 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=4) 0 -23.900936 22.489666 -2.829502 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=4) 0 -25.216330 21.949288 -1.788717 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=4) 0 -23.880649 21.000967 -0.065192 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=4) 0 -23.290824 20.551457 0.627096 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=4) 0 -24.887306 20.910814 -0.030927 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=4) 0 -17.799394 20.387733 -4.101986 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=4) 0 -17.090792 19.609432 -3.474800 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=5) 0 -18.600006 19.986621 -5.091493 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=5) 0 -19.121197 20.687447 -5.607716 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=5) 0 -18.728684 18.587251 -5.517823 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=5) 0 -18.850960 17.977297 -4.620521 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=5) 0 -20.008826 18.444153 -6.351118 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=5) 0 -19.906909 18.994061 -7.286437 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=5) 0 -20.186912 17.391624 -6.575708 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=5) 0 -20.862480 18.831992 -5.793993 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=5) 0 -17.482177 18.027646 -6.244266 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=5) 0 -17.517082 16.900068 -6.742424 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=6) 0 -16.397988 18.805642 -6.318953 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=6) 0 -16.504277 19.768770 -6.030999 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=6) 0 -15.080663 18.390328 -6.799965 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=6) 0 -15.094826 17.308935 -6.939924 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=6) 0 -14.836533 19.086799 -8.154724 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=6) 0 -15.790130 19.289863 -8.646456 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=6) 0 -14.359816 20.048877 -7.968752 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=6) 0 -13.972198 18.256519 -9.117727 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=6) 0 -13.106251 17.844069 -8.602619 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=6) 0 -14.789625 17.116699 -9.719011 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=6) 0 -15.660596 17.513757 -10.233871 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=6) 0 -14.177421 16.561110 -10.424496 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=6) 0 -15.121449 16.437103 -8.936585 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=6) 0 -13.477862 19.137830 -10.260824 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=6) 0 -12.790370 19.882803 -9.868637 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=6) 0 -12.947156 18.523925 -10.987243 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=6) 0 -14.315472 19.635702 -10.745800 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=6) 0 -13.939098 18.678269 -5.799851 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=6) 0 -12.776863 18.416664 -6.117839 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=7) 0 -14.217339 19.233207 -4.612365 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=7) 0 -15.183904 19.242829 -4.302279 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=7) 0 -13.203809 19.829441 -3.728818 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=7) 0 -12.215163 19.475911 -4.025991 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=7) 0 -13.248056 21.357340 -3.932181 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=7) 0 -13.048514 21.574397 -4.981695 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=7) 0 -14.256216 21.700395 -3.699019 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=7) 0 -12.262240 22.162826 -3.065262 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=7) 0 -12.475165 21.997867 -2.009338 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=7) 0 -10.810865 21.784979 -3.345495 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=7) 0 -10.588281 21.875921 -4.407563 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=7) 0 -10.154309 22.447515 -2.788713 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=7) 0 -10.612211 20.764564 -3.020797 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=7) 0 -12.427547 23.654059 -3.354144 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=7) 0 -13.450742 23.960590 -3.143445 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=7) 0 -11.757508 24.228142 -2.713866 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=7) 0 -12.188733 23.859884 -4.395558 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=7) 0 -13.393613 19.467949 -2.247106 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=7) 0 -14.382201 19.864745 -1.626506 L N-N--0.415700(PDBName=N,ResName=CYS,ResNum=8) 0 -12.383366 18.837826 -1.644391 L H-H-0.271900(PDBName=H,ResName=CYS,ResNum=8) 0 -11.597694 18.529821 -2.208603 L C-CT-0.021300(PDBName=CA,ResName=CYS,ResNum=8) 0 -12.287621 18.681040 -0.193852 L H-H1-0.112400(PDBName=HA,ResName=CYS,ResNum=8) 0 -13.236248 18.289470 0.178741 L C-CT--0.123100(PDBName=CB,ResName=CYS,ResNum=8) 0 -11.185412 17.671326 0.136254 L H-H1-0.111200(PDBName=HB2,ResName=CYS,ResNum=8) 0 -11.290574 16.798191 -0.502019 L H-H1-0.111200(PDBName=HB3,ResName=CYS,ResNum=8) 0 -10.202401 18.111626 -0.038511 L S-SH--0.311900(PDBName=SG,ResName=CYS,ResNum=8) 0 -11.341171 17.179100 1.876333 L H-HS-0.193300(PDBName=HG,ResName=CYS,ResNum=8) 0 -12.427166 16.405141 1.709785 L C-C-0.597300(PDBName=C,ResName=CYS,ResNum=8) 0 -12.012075 20.039019 0.468904 L O-O--0.567900(PDBName=O,ResName=CYS,ResNum=8) 0 -10.883757 20.535758 0.460718 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=9) 0 -13.045886 20.661237 1.029552 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=9) 0 -13.949518 20.204330 1.015623 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=9) 0 -12.967179 21.983679 1.645512 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=9) 0 -12.143074 22.527046 1.183283 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=9) 0 -14.285634 22.714469 1.343235 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=9) 0 -14.642491 22.436903 0.349543 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=9) 0 -15.032945 22.388221 2.066433 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=9) 0 -14.156262 24.239072 1.399892 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=9) 0 -13.614723 24.519791 2.299678 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=9) 0 -13.431884 24.789095 0.167314 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=9) 0 -13.982938 24.559574 -0.738170 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=9) 0 -13.326557 25.868427 0.248978 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=9) 0 -12.437696 24.356280 0.078439 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=9) 0 -15.547637 24.855326 1.470904 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=9) 0 -16.013215 24.574370 2.414427 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=9) 0 -15.469924 25.937859 1.426883 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=9) 0 -16.162628 24.498337 0.648273 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=9) 0 -12.671932 21.877108 3.150910 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=9) 0 -13.098336 20.912383 3.787857 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=10) 0 -11.970926 22.858488 3.726306 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=10) 0 -11.659523 23.632632 3.151241 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=10) 0 -11.607862 22.893334 5.147572 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=10) 0 -11.304420 21.894015 5.460527 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=10) 0 -10.398199 23.826067 5.308183 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=10) 0 -10.662131 24.843363 5.016657 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=10) 0 -10.073515 23.824233 6.349381 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=10) 0 -9.575021 23.480200 4.682681 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=10) 0 -12.809596 23.318461 6.015079 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=10) 0 -13.021324 24.511521 6.254450 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=11) 0 -13.668928 22.366440 6.396083 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=11) 0 -13.440678 21.401039 6.170242 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=11) 0 -15.025855 22.657049 6.902839 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=11) 0 -14.964527 23.527648 7.555596 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=11) 0 -15.894022 23.037296 5.675382 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=11) 0 -15.256492 23.573105 4.970551 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=11) 0 -16.441889 21.832949 4.906306 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=11) 0 -17.344428 21.436949 5.368130 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=11) 0 -16.670516 22.135212 3.889695 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=11) 0 -15.687217 21.048256 4.863160 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=11) 0 -17.000141 24.037044 6.021876 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=11) 0 -16.571252 24.895646 6.539330 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=11) 0 -17.459709 24.391840 5.102260 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=11) 0 -17.768633 23.589114 6.643788 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=11) 0 -15.593353 21.500332 7.757510 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=11) 0 -14.829663 20.664342 8.246875 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=12) 0 -16.912844 21.465183 7.980351 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=12) 0 -17.470259 22.217587 7.609490 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=12) 0 -17.645352 20.342514 8.571771 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=12) 0 -17.011302 19.453852 8.569281 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=12) 0 -17.964909 20.686689 10.033148 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=12) 0 -18.574973 21.589485 10.086166 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=12) 0 -18.509293 19.859566 10.490716 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=12) 0 -17.037437 20.842818 10.585649 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=12) 0 -18.905719 20.003361 7.742121 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=12) 0 -19.999406 20.522353 7.988971 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=13) 0 -18.752289 19.156279 6.726249 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=13) 0 -17.810961 18.814505 6.545211 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=13) 0 -19.820646 18.591715 5.896387 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=13) 0 -20.788259 18.910292 6.281329 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=13) 0 -19.673993 19.139122 4.470701 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=13) 0 -18.706268 18.848100 4.057353 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=13) 0 -20.463833 18.738714 3.834272 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=13) 0 -19.744263 20.227234 4.482339 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=13) 0 -19.792609 17.050588 5.940583 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=13) 0 -18.742144 16.467094 6.219153 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=14) 0 -20.930365 16.398176 5.667917 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=14) 0 -21.742185 16.967185 5.469641 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=14) 0 -21.140420 14.938234 5.700407 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=14) 0 -22.217470 14.783258 5.624414 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=14) 0 -20.553349 14.316455 4.415642 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=14) 0 -21.129010 14.704134 3.573516 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=14) 0 -19.537357 14.678250 4.291292 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=14) 0 -20.515778 12.780704 4.306938 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=14) 0 -19.849001 12.376430 5.063763 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=14) 0 -21.884911 12.131925 4.485081 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=14) 0 -22.559597 12.471778 3.704549 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=14) 0 -21.783778 11.048427 4.415045 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=14) 0 -22.296571 12.371126 5.464473 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=14) 0 -19.963963 12.410355 2.929119 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=14) 0 -18.938527 12.767090 2.833877 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=14) 0 -19.971646 11.330787 2.801425 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=14) 0 -20.570065 12.860113 2.146545 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=14) 0 -20.757274 14.287807 7.051615 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=14) 0 -21.624855 14.166647 7.918864 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=15) 0 -19.493504 13.920059 7.267056 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=15) 0 -18.834256 14.087359 6.514239 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=15) 0 -18.935025 13.437979 8.549978 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=15) 0 -19.461410 13.931137 9.367891 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=15) 0 -19.147957 11.913033 8.691367 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=15) 0 -20.201221 11.708072 8.502540 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=15) 0 -18.326603 11.080006 7.701044 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=15) 0 -17.262958 11.230479 7.875365 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=15) 0 -18.551677 10.021458 7.833221 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=15) 0 -18.569561 11.359910 6.679045 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=15) 0 -18.847129 11.421426 10.107914 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=15) 0 -19.457440 11.970993 10.819968 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=15) 0 -19.091863 10.362300 10.186366 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=15) 0 -17.794896 11.551031 10.353962 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=15) 0 -17.451830 13.819631 8.656086 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=15) 0 -16.791717 13.956190 7.623018 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=16) 0 -16.891948 14.001198 9.859134 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=16) 0 -17.471440 13.901279 10.687814 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=16) 0 -15.446503 14.248914 10.034161 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=16) 0 -15.183569 15.142995 9.470222 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=16) 0 -15.125484 14.495883 11.518586 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=16) 0 -15.832524 15.212924 11.930125 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=16) 0 -15.256452 13.558219 12.058588 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=16) 0 -13.703606 15.040184 11.758775 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=16) 0 -12.991609 14.603364 11.066057 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=16) 0 -13.699644 16.121693 11.617926 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=16) 0 -13.234438 14.694986 13.171127 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=16) 0 -13.890777 15.184950 13.887023 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=16) 0 -13.316046 13.617362 13.320358 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=16) 0 -11.848100 15.118904 13.423827 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=16) 0 -11.720807 15.901043 14.055351 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=16) 0 -10.752692 14.444541 13.131671 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=16) 0 -10.740367 13.343811 12.442842 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=16) 0 -11.603453 12.901561 12.145220 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=16) 0 -9.878825 12.822490 12.397804 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=16) 0 -9.592377 14.849692 13.545679 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=16) 0 -9.521605 15.600470 14.218523 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=16) 0 -8.815793 14.215462 13.414208 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=16) 0 -14.609983 13.074094 9.506510 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=16) 0 -14.973560 11.916480 9.714708 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=17) 0 -13.447912 13.375523 8.925070 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=17) 0 -13.240383 14.353766 8.765526 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=17) 0 -12.391020 12.410302 8.622802 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=17) 0 -12.754567 11.760127 7.831689 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=17) 0 -11.175771 13.182465 8.098325 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=17) 0 -10.778065 13.833202 8.878595 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=17) 0 -10.395743 12.489821 7.779134 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=17) 0 -11.471854 13.788340 7.243184 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=17) 0 -12.023585 11.498558 9.813148 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=17) 0 -12.432678 11.735867 10.949982 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=18) 0 -11.283159 10.425204 9.529761 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=18) 0 -10.948540 10.355327 8.578420 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=18) 0 -11.241032 9.161487 10.287967 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=18) 0 -10.508424 8.541816 9.771586 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=18) 0 -10.690274 9.336134 11.713141 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=18) 0 -9.731407 9.852456 11.664297 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=18) 0 -11.372085 9.939620 12.310306 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=18) 0 -10.501729 7.983099 12.402041 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=18) 0 -9.546309 7.258644 12.042112 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=18) 0 -11.315502 7.644026 13.299691 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=18) 0 -12.552402 8.351903 10.237888 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=18) 0 -12.492931 7.123681 10.264211 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=19) 0 -13.717220 8.979958 10.046586 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=19) 0 -13.731559 9.991153 10.060440 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=19) 0 -14.884372 8.307578 9.479715 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=19) 0 -14.801076 7.235211 9.639265 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=19) 0 -16.162925 8.729148 10.208013 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=19) 0 -16.346507 9.789556 10.057965 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=19) 0 -17.009667 8.170881 9.806630 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=19) 0 -16.072858 8.520366 11.272595 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=19) 0 -14.952250 8.594685 7.966771 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=19) 0 -15.229668 9.728548 7.569807 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=20) 0 -14.710939 7.599873 7.100187 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=20) 0 -14.129987 6.304358 7.411219 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=20) 0 -14.777952 5.730148 8.074207 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=20) 0 -13.149473 6.438845 7.864547 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=20) 0 -13.989137 5.580052 6.077455 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=20) 0 -14.774896 4.830836 5.982092 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=20) 0 -13.002967 5.134969 6.002010 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=20) 0 -14.184131 6.662321 5.020693 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=20) 0 -14.561314 6.256502 4.081694 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=20) 0 -13.235667 7.169386 4.850308 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=20) 0 -15.158638 7.620097 5.713056 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=20) 0 -15.086167 8.613693 5.270198 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=20) 0 -16.623127 7.145476 5.690966 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=20) 0 -17.313010 7.166060 6.717254 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=21) 0 -17.111834 6.632726 4.561823 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=21) 0 -16.532416 6.601423 3.738218 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=21) 0 -18.285517 5.763797 4.633848 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=21) 0 -18.922623 6.199169 5.390202 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=21) 0 -19.083944 5.771512 3.324649 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=21) 0 -19.161412 6.797457 2.965713 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=21) 0 -18.562307 5.185641 2.567430 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=21) 0 -20.505522 5.224969 3.522409 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=21) 0 -21.072710 5.424158 2.612455 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=21) 0 -20.450560 4.144850 3.669985 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=21) 0 -21.210740 5.871162 4.724701 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=21) 0 -21.711879 7.014366 4.609033 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=21) 0 -21.090193 5.332205 5.852522 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=21) 0 -17.888024 4.363808 5.130000 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=21) 0 -16.905958 3.807178 4.647847 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=22) 0 -18.601758 3.802619 6.112158 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=22) 0 -19.465164 4.253437 6.399496 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=22) 0 -18.257209 2.525550 6.762913 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=22) 0 -17.897830 1.852066 5.990638 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=22) 0 -17.101239 2.687912 7.774039 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=22) 0 -16.951283 1.727813 8.270390 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=22) 0 -16.182493 2.919233 7.236513 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=22) 0 -17.305231 3.773028 8.838286 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=22) 0 -17.082919 4.751878 8.408779 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=22) 0 -18.344516 3.777682 9.159656 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=22) 0 -16.410574 3.517941 10.054232 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=22) 0 -15.189794 3.792403 10.002388 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=22) 0 -16.926510 3.032188 11.095236 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=22) 0 -19.459514 1.819681 7.424674 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=22) 0 -20.372643 2.464158 7.948227 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=23) 0 -19.438248 0.484888 7.413216 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=23) 0 -18.628169 0.034521 6.989673 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=23) 0 -20.412993 -0.440291 8.014760 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=23) 0 -20.988818 0.062297 8.793056 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=23) 0 -21.364300 -1.001084 6.940268 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=23) 0 -20.755058 -1.454825 6.158625 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=23) 0 -21.969648 -1.788945 7.390500 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=23) 0 -22.314495 0.027906 6.303008 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=23) 0 -23.035586 0.347388 7.055853 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=23) 0 -21.742993 0.902207 5.991609 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=23) 0 -23.062509 -0.513929 5.070551 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=23) 0 -22.922357 -1.717041 4.723652 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=23) 0 -23.784702 0.275897 4.416032 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=23) 0 -19.634204 -1.614563 8.632792 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=23) 0 -18.708909 -2.118412 8.001616 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=24) 0 -19.962206 -2.058515 9.852187 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=24) 0 -20.757364 -1.646776 10.316397 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=24) 0 -19.114746 -2.982325 10.642782 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=24) 0 -19.532261 -3.014660 11.650119 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=24) 0 -19.168804 -4.422331 10.095285 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=24) 0 -18.739729 -4.459884 9.093227 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=24) 0 -18.556479 -5.051574 10.738921 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=24) 0 -20.565247 -5.027860 10.077956 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=24) 0 -21.033049 -5.453372 8.992526 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=24) 0 -21.166442 -5.175399 11.162354 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=24) 0 -17.653234 -2.494381 10.809411 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=24) 0 -16.725891 -3.293446 10.955234 L N-N--0.415700(PDBName=N,ResName=HID,ResNum=25) 0 -17.425621 -1.178970 10.739112 L H-H-0.271900(PDBName=H,ResName=HID,ResNum=25) 0 -18.236141 -0.570034 10.674143 L C-CT-0.018800(PDBName=CA,ResName=HID,ResNum=25) 0 -16.118416 -0.522215 10.590581 L H-H1-0.088100(PDBName=HA,ResName=HID,ResNum=25) 0 -16.337663 0.534711 10.452545 L C-CT--0.046200(PDBName=CB,ResName=HID,ResNum=25) 0 -15.305920 -0.619525 11.889167 L H-HC-0.040200(PDBName=HB2,ResName=HID,ResNum=25) 0 -15.001007 -1.653495 12.054485 L H-HC-0.040200(PDBName=HB3,ResName=HID,ResNum=25) 0 -14.403030 -0.016843 11.792705 L C-CC--0.026600(PDBName=CG,ResName=HID,ResNum=25) 0 -16.074285 -0.128222 13.086635 L N-NA--0.381100(PDBName=ND1,ResName=HID,ResNum=25) 0 -16.699005 1.091980 13.205506 L H-H-0.364900(PDBName=HD1,ResName=HID,ResNum=25) 0 -16.756963 1.808386 12.483717 L C-CR-0.205700(PDBName=CE1,ResName=HID,ResNum=25) 0 -17.302920 1.138717 14.403142 L H-H5-0.139200(PDBName=HE1,ResName=HID,ResNum=25) 0 -17.889301 1.972522 14.772038 L N-NB--0.572700(PDBName=NE2,ResName=HID,ResNum=25) 0 -17.077990 -0.000801 15.079816 L C-CV-0.129200(PDBName=CD2,ResName=HID,ResNum=25) 0 -16.317308 -0.822551 14.238496 L H-H4-0.114700(PDBName=HD2,ResName=HID,ResNum=25) 0 -15.984595 -1.829659 14.454541 L C-C-0.597300(PDBName=C,ResName=HID,ResNum=25) 0 -15.321489 -0.902518 9.329483 L O-O--0.567900(PDBName=O,ResName=HID,ResNum=25) 0 -14.189367 -0.438828 9.163180 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=26) 0 -15.915820 -1.670957 8.413664 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=26) 0 -16.865455 -1.980906 8.597420 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=26) 0 -15.408366 -1.910654 7.062193 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=26) 0 -14.324427 -1.978552 7.111421 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=26) 0 -15.951250 -3.231551 6.476303 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=26) 0 -17.018383 -3.136344 6.278617 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=26) 0 -15.246438 -3.545599 5.156614 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=26) 0 -14.171607 -3.616941 5.316130 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=26) 0 -15.616952 -4.492212 4.763719 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=26) 0 -15.453624 -2.760198 4.435212 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=26) 0 -15.739887 -4.440664 7.395787 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=26) 0 -16.168132 -5.331133 6.934762 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=26) 0 -14.677288 -4.602421 7.564745 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=26) 0 -16.241811 -4.280532 8.349344 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=26) 0 -15.812383 -0.723645 6.184784 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=26) 0 -16.995409 -0.396107 6.085860 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=27) 0 -14.851064 -0.054603 5.547112 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=27) 0 -13.895207 -0.374700 5.656759 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=27) 0 -15.113101 1.152433 4.759954 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=27) 0 -15.699426 1.822114 5.382375 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=27) 0 -13.824643 1.904182 4.366989 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=27) 0 -13.474732 1.507231 3.417797 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=27) 0 -14.114824 2.940316 4.191187 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=27) 0 -12.612225 1.895594 5.314845 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=27) 0 -12.158764 0.911950 5.297743 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=27) 0 -11.559939 2.852987 4.759824 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=27) 0 -11.955828 3.859471 4.673684 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=27) 0 -10.685352 2.859937 5.409753 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=27) 0 -11.265108 2.517115 3.766953 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=27) 0 -12.934152 2.236047 6.768492 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=27) 0 -13.370358 1.366607 7.256725 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=27) 0 -12.023687 2.511460 7.297519 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=27) 0 -13.645378 3.051602 6.827638 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=27) 0 -15.940926 0.799016 3.514057 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=27) 0 -15.492133 0.016003 2.681287 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=28) 0 -17.136462 1.358889 3.351022 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=28) 0 -17.397288 2.101906 3.989199 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=28) 0 -18.041661 1.023688 2.239279 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=28) 0 -17.794000 0.021591 1.887926 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=28) 0 -19.516593 0.977354 2.663216 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=28) 0 -19.908160 1.982222 2.809659 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=28) 0 -20.337745 0.248568 1.597914 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=28) 0 -21.393998 0.264206 1.867334 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=28) 0 -20.224482 0.731554 0.627825 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=28) 0 -20.000335 -0.781795 1.525937 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=28) 0 -19.674417 0.209226 3.970451 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=28) 0 -19.504723 0.893529 4.792550 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=28) 0 -20.681172 -0.184530 4.047981 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=28) 0 -18.952496 -0.602689 4.028010 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=28) 0 -17.781766 1.978016 1.086874 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=28) 0 -18.483240 2.975458 0.902296 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=29) 0 -16.697382 1.704311 0.364928 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=29) 0 -16.195070 0.850980 0.575587 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=29) 0 -16.130200 2.636498 -0.602227 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=29) 0 -16.266398 3.640511 -0.199419 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=29) 0 -14.615451 2.418069 -0.755148 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=29) 0 -14.439190 1.426058 -1.172617 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=29) 0 -14.230942 3.159240 -1.457896 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=29) 0 -13.842855 2.548667 0.572091 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=29) 0 -14.137307 1.733750 1.225799 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=29) 0 -12.340745 2.428146 0.326311 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=29) 0 -11.997361 3.252684 -0.296370 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=29) 0 -11.806380 2.452394 1.275111 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=29) 0 -12.122220 1.484113 -0.171092 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=29) 0 -14.114319 3.866272 1.301256 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=29) 0 -15.135510 3.884317 1.680353 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=29) 0 -13.445406 3.962939 2.153455 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=29) 0 -13.963651 4.705141 0.620859 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=29) 0 -16.894231 2.631148 -1.925959 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=29) 0 -17.476996 1.626779 -2.341031 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=30) 0 -16.911792 3.805506 -2.548194 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=30) 0 -16.321689 4.531984 -2.150921 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=30) 0 -17.759249 4.211605 -3.668406 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=30) 0 -18.388583 3.379342 -3.976704 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=30) 0 -18.630680 5.405167 -3.214131 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=30) 0 -18.092454 5.983448 -2.462336 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=30) 0 -18.776672 6.064990 -4.065073 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=30) 0 -20.034402 5.095764 -2.678120 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=30) 0 -20.457760 6.016546 -2.274387 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=30) 0 -20.669205 4.794159 -3.503073 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=30) 0 -20.101643 4.016204 -1.603230 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=30) 0 -19.573699 3.124281 -1.937741 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=30) 0 -19.628509 4.406060 -0.702825 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=30) 0 -21.501329 3.649690 -1.350491 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=30) 0 -22.141589 3.682163 -2.136180 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=30) 0 -22.053983 3.307699 -0.208818 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=30) 0 -21.387119 3.244106 0.899471 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=30) 0 -20.384985 3.369484 0.897579 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=30) 0 -21.930238 3.227618 1.760375 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=30) 0 -23.317264 3.023686 -0.167625 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=30) 0 -23.861400 3.096696 -1.015297 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=30) 0 -23.700694 2.625828 0.685029 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=30) 0 -16.907814 4.614218 -4.868575 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=30) 0 -15.772383 5.060208 -4.698521 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=31) 0 -17.488814 4.591020 -6.072648 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=31) 0 -18.438423 4.221013 -6.121994 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=31) 0 -16.874524 5.194698 -7.277918 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=31) 0 -15.890139 4.740243 -7.407073 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=31) 0 -17.680595 4.856507 -8.550184 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=31) 0 -17.213310 5.345420 -9.405506 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=31) 0 -17.626350 3.778516 -8.709697 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=31) 0 -19.159503 5.264340 -8.483102 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=31) 0 -19.614931 4.729557 -7.659666 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=31) 0 -19.241320 6.334212 -8.297237 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=31) 0 -19.971566 4.897147 -9.727480 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=31) 0 -19.692499 3.898752 -10.063201 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=31) 0 -21.025621 4.870497 -9.448036 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=31) 0 -19.791294 5.911159 -10.859676 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=31) 0 -20.081875 6.901856 -10.497140 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=31) 0 -18.738578 5.939103 -11.154879 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=31) 0 -20.632104 5.539945 -12.016894 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=31) 0 -21.616072 5.469200 -11.765164 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=31) 0 -20.552076 6.202083 -12.785898 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=31) 0 -20.354491 4.629592 -12.380210 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=31) 0 -16.571383 6.698944 -7.128059 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=31) 0 -15.786443 7.234141 -7.905015 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=32) 0 -17.085872 7.368288 -6.091203 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=32) 0 -17.771579 6.905703 -5.515052 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=32) 0 -16.597862 8.672214 -5.623315 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=32) 0 -16.442786 9.317564 -6.488919 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=32) 0 -17.640638 9.354474 -4.727259 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=32) 0 -17.195182 10.238540 -4.269852 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=32) 0 -18.493650 9.667472 -5.323358 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=32) 0 -18.089486 8.492057 -3.704651 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=32) 0 -18.430291 9.062520 -2.976792 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=32) 0 -15.266046 8.603805 -4.858809 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=32) 0 -14.307719 9.258721 -5.269533 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=33) 0 -15.217023 7.868207 -3.741676 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=33) 0 -16.006600 7.255994 -3.585770 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=33) 0 -14.460848 8.246807 -2.535564 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=33) 0 -14.067301 9.249909 -2.697257 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=33) 0 -15.448550 8.330848 -1.349938 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=33) 0 -14.969294 8.870947 -0.538416 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=33) 0 -16.322871 8.903948 -1.646253 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=33) 0 -15.908377 6.985419 -0.799040 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=33) 0 -15.571152 5.918585 -1.283112 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=33) 0 -16.713827 6.971561 0.234118 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=33) 0 -17.010739 6.077787 0.576795 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=33) 0 -17.038094 7.839196 0.651671 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=33) 0 -13.233037 7.378355 -2.194743 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=33) 0 -12.734973 7.439830 -1.064733 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=34) 0 -12.778072 6.535773 -3.123450 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=34) 0 -13.263874 6.503300 -4.008229 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=34) 0 -11.780908 5.505114 -2.833782 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=34) 0 -12.111383 4.958681 -1.949906 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=34) 0 -11.726032 4.517484 -3.994837 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=34) 0 -12.717943 4.083693 -4.118124 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=34) 0 -11.470745 5.042382 -4.916518 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=34) 0 -10.725847 3.408469 -3.752598 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=34) 0 -11.074132 2.335909 -2.915005 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=34) 0 -12.058693 2.293986 -2.478484 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=34) 0 -10.144102 1.321421 -2.644059 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=34) 0 -10.413724 0.510414 -1.987270 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=34) 0 -8.869155 1.365784 -3.232712 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=34) 0 -8.150817 0.585125 -3.038585 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=34) 0 -8.525483 2.425081 -4.087150 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=34) 0 -7.555995 2.436137 -4.563420 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=34) 0 -9.446860 3.456251 -4.336537 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=34) 0 -9.175974 4.271843 -4.992907 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=34) 0 -10.386820 6.055839 -2.509122 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=34) 0 -9.854991 5.773210 -1.434726 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=35) 0 -9.798526 6.873307 -3.387246 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=35) 0 -10.242649 7.055687 -4.277213 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=35) 0 -8.487978 7.466470 -3.116315 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=35) 0 -7.787144 6.662260 -2.887311 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=35) 0 -7.992158 8.171781 -4.374347 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=35) 0 -8.636118 9.020469 -4.596784 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=35) 0 -6.974444 8.524916 -4.207204 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=35) 0 -7.990551 7.479997 -5.215977 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=35) 0 -8.517857 8.408760 -1.896589 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=35) 0 -7.547378 8.475980 -1.152312 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=36) 0 -9.656158 9.044973 -1.610203 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=36) 0 -10.405422 8.999681 -2.291371 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=36) 0 -9.905766 9.809649 -0.382188 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=36) 0 -9.126339 10.563356 -0.264593 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=36) 0 -11.249763 10.525351 -0.569508 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=36) 0 -11.137416 11.266053 -1.361548 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=36) 0 -11.981925 9.794292 -0.902553 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=36) 0 -11.837663 11.231163 0.651875 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=36) 0 -11.789817 10.593234 1.530583 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=36) 0 -11.273590 12.138871 0.861505 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=36) 0 -13.299736 11.553186 0.358725 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=36) 0 -13.567749 12.426616 -0.498432 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=36) 0 -14.201048 10.910063 0.950293 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=36) 0 -9.905169 8.924011 0.880045 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=36) 0 -9.526542 9.389112 1.959086 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=37) 0 -10.297024 7.651046 0.780176 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=37) 0 -10.614305 7.307189 -0.119886 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=37) 0 -10.176122 6.691575 1.876870 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=37) 0 -10.488989 7.165017 2.804514 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=37) 0 -11.113589 5.513290 1.632540 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=37) 0 -12.125506 5.887331 1.484716 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=37) 0 -10.797840 4.955356 0.753742 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=37) 0 -11.095822 4.850564 2.496930 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=37) 0 -8.723199 6.252151 2.074000 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=37) 0 -8.248202 6.248851 3.209272 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=38) 0 -7.986217 5.993279 0.986634 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=38) 0 -8.445092 6.007673 0.080636 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=38) 0 -6.538692 5.766337 1.051839 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=38) 0 -6.345889 4.918615 1.710052 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=38) 0 -5.976273 5.446173 -0.348149 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=38) 0 -6.105900 6.320373 -0.984710 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=38) 0 -4.907602 5.274441 -0.225564 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=38) 0 -6.535119 4.240190 -1.116951 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=38) 0 -7.552580 4.450625 -1.440855 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=38) 0 -5.657788 4.020227 -2.350252 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=38) 0 -4.630798 3.801606 -2.055152 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=38) 0 -6.042937 3.184487 -2.930347 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=38) 0 -5.662974 4.917894 -2.967122 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=38) 0 -6.536185 2.965375 -0.283290 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=38) 0 -7.254696 3.072466 0.520007 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=38) 0 -6.840127 2.122683 -0.904140 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=38) 0 -5.544757 2.788456 0.133523 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=38) 0 -5.806530 6.985023 1.653500 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=38) 0 -4.923518 6.835498 2.497771 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=39) 0 -6.193679 8.199554 1.266147 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=39) 0 -6.868711 8.266070 0.511532 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=39) 0 -5.591146 9.443533 1.737089 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=39) 0 -4.509315 9.320486 1.706986 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=39) 0 -5.959293 10.556687 0.753961 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=39) 0 -7.034571 10.723375 0.757279 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=39) 0 -5.449173 11.480397 1.030350 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=39) 0 -5.648186 10.270993 -0.250637 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=39) 0 -5.960761 9.802656 3.189146 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=39) 0 -5.342932 10.694934 3.771124 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=40) 0 -6.926658 9.108026 3.799049 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=40) 0 -7.436044 8.429063 3.250571 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=40) 0 -7.253444 9.217356 5.223223 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=40) 0 -6.821569 10.132687 5.632449 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=40) 0 -8.772047 9.332946 5.355589 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=40) 0 -9.250070 8.429289 4.976193 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=40) 0 -9.029720 9.464901 6.406845 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=40) 0 -9.127285 10.198325 4.795634 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=40) 0 -6.700167 8.044377 6.056589 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=40) 0 -6.325876 8.242411 7.211702 L N-N--0.415700(PDBName=N,ResName=HID,ResNum=41) 0 -6.603989 6.843610 5.475849 L H-H-0.271900(PDBName=H,ResName=HID,ResNum=41) 0 -6.954686 6.743349 4.529662 L C-CT-0.018800(PDBName=CA,ResName=HID,ResNum=41) 0 -6.187362 5.609332 6.146384 L H-H1-0.088100(PDBName=HA,ResName=HID,ResNum=41) 0 -5.886627 5.832806 7.168368 L C-CT--0.046200(PDBName=CB,ResName=HID,ResNum=41) 0 -7.380434 4.649769 6.218024 L H-HC-0.040200(PDBName=HB2,ResName=HID,ResNum=41) 0 -7.677226 4.369413 5.207920 L H-HC-0.040200(PDBName=HB3,ResName=HID,ResNum=41) 0 -7.073126 3.744774 6.742573 L C-CC--0.026600(PDBName=CG,ResName=HID,ResNum=41) 0 -8.569901 5.246689 6.924438 L N-NA--0.381100(PDBName=ND1,ResName=HID,ResNum=41) 0 -8.658241 5.536482 8.265621 L H-H-0.364900(PDBName=HD1,ResName=HID,ResNum=41) 0 -7.925004 5.401468 8.962177 L C-CR-0.205700(PDBName=CE1,ResName=HID,ResNum=41) 0 -9.867615 6.064125 8.500401 L H-H5-0.139200(PDBName=HE1,ResName=HID,ResNum=41) 0 -10.222934 6.368415 9.477117 L N-NB--0.572700(PDBName=NE2,ResName=HID,ResNum=41) 0 -10.569103 6.159182 7.355966 L C-CV-0.129200(PDBName=CD2,ResName=HID,ResNum=41) 0 -9.747122 5.638515 6.348629 L H-H4-0.114700(PDBName=HD2,ResName=HID,ResNum=41) 0 -9.989122 5.565574 5.297268 L C-C-0.597300(PDBName=C,ResName=HID,ResNum=41) 0 -4.987507 4.987858 5.423381 L O-O--0.567900(PDBName=O,ResName=HID,ResNum=41) 0 -5.127594 4.351422 4.376063 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=42) 0 -3.785871 5.198427 5.974429 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=42) 0 -3.763313 5.671078 6.875078 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=42) 0 -2.505547 5.007854 5.262893 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=42) 0 -2.588485 5.488208 4.287275 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=42) 0 -1.371494 5.713619 6.029856 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=42) 0 -1.547660 5.652402 7.105010 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=42) 0 -0.427029 5.204190 5.826865 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=42) 0 -1.189672 7.182406 5.609223 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=42) 0 -0.381583 7.603861 6.208865 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=42) 0 -0.876935 7.201971 4.564654 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=42) 0 -2.432130 8.075598 5.756031 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=42) 0 -3.214230 7.747007 5.069977 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=42) 0 -2.797449 8.034070 6.782556 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=42) 0 -2.034465 9.510921 5.413286 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=42) 0 -1.245034 9.826265 6.101496 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=42) 0 -1.617992 9.533710 4.403635 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=42) 0 -3.172589 10.449976 5.507422 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=42) 0 -3.598199 10.423474 6.428952 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=42) 0 -2.860815 11.407436 5.385980 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=42) 0 -3.879523 10.293827 4.796314 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=42) 0 -2.152296 3.555694 4.920284 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=42) 0 -1.287989 3.354868 4.070947 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=43) 0 -2.856620 2.576738 5.492834 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=43) 0 -3.561033 2.844630 6.161544 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=43) 0 -2.813113 1.162657 5.103968 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=43) 0 -2.311831 1.064907 4.139245 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=43) 0 -2.039614 0.339297 6.147149 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=43) 0 -2.650927 0.257172 7.043076 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=43) 0 -1.893201 -0.662563 5.751167 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=43) 0 -0.700835 0.925249 6.541833 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=43) 0 0.246145 1.214930 5.545102 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=43) 0 0.056986 0.944773 4.515773 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=43) 0 1.376099 1.983405 5.861531 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=43) 0 2.052120 2.280052 5.078638 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=43) 0 1.590744 2.422804 7.183688 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=43) 0 2.628359 3.250256 7.457454 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=43) 0 3.000380 3.575258 6.613716 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=43) 0 0.697805 2.038687 8.203134 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=43) 0 0.866189 2.367888 9.219642 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=43) 0 -0.456036 1.302876 7.877651 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=43) 0 -1.176746 1.085541 8.654787 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=43) 0 -4.238542 0.625351 4.963672 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=43) 0 -5.040408 0.767678 5.892030 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=44) 0 -4.557607 0.000847 3.827378 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=44) 0 -3.864673 -0.070807 3.084711 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=44) 0 -5.918285 -0.448795 3.529233 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=44) 0 -6.429842 -0.611024 4.475155 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=44) 0 -6.657762 0.665994 2.750871 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=44) 0 -5.960868 1.474723 2.522850 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=44) 0 -7.030059 0.284684 1.798399 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=44) 0 -7.828840 1.237744 3.565484 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=44) 0 -7.495896 1.414311 4.586602 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=44) 0 -8.311117 2.568972 2.994763 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=44) 0 -7.466072 3.251080 2.903214 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=44) 0 -8.778959 2.420155 2.022439 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=44) 0 -9.025077 3.023161 3.674598 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=44) 0 -9.013002 0.267315 3.571577 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=44) 0 -8.704457 -0.709193 3.933983 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=44) 0 -9.798053 0.645935 4.221972 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=44) 0 -9.396029 0.150468 2.558812 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=44) 0 -5.945399 -1.786849 2.786191 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=44) 0 -5.291436 -1.939804 1.757393 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=45) 0 -6.744508 -2.737412 3.279153 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=45) 0 -7.225670 -2.549347 4.152917 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=45) 0 -7.085101 -3.968504 2.558226 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=45) 0 -6.429819 -4.052736 1.693747 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=45) 0 -6.855814 -5.194782 3.462216 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=45) 0 -6.045824 -4.993229 4.161048 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=45) 0 -7.760453 -5.359129 4.042194 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=45) 0 -6.528419 -6.479928 2.680233 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=45) 0 -7.185489 -6.560474 1.816510 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=45) 0 -5.081794 -6.479693 2.198538 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=45) 0 -4.394150 -6.453465 3.041703 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=45) 0 -4.894569 -7.379094 1.620720 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=45) 0 -4.912660 -5.619999 1.562562 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=45) 0 -6.707655 -7.714903 3.557853 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=45) 0 -6.565559 -8.612225 2.957098 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=45) 0 -5.980514 -7.705554 4.368840 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=45) 0 -7.718236 -7.734968 3.964540 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=45) 0 -8.527290 -3.886968 2.039492 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=45) 0 -9.443673 -3.557577 2.788215 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=46) 0 -8.765838 -4.221524 0.775583 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=46) 0 -7.978372 -4.542237 0.221801 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=46) 0 -10.009446 -3.924154 0.050445 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=46) 0 -10.727492 -3.477317 0.735682 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=46) 0 -9.754015 -2.893924 -1.069024 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=46) 0 -9.174449 -3.362325 -1.864799 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=46) 0 -11.084264 -2.394876 -1.647675 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=46) 0 -11.672799 -1.896098 -0.878921 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=46) 0 -10.893715 -1.702384 -2.466103 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=46) 0 -11.660145 -3.230527 -2.047882 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=46) 0 -8.962443 -1.670750 -0.577774 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=46) 0 -7.984231 -1.971700 -0.204363 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=46) 0 -8.794736 -0.990190 -1.408634 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=46) 0 -9.501873 -1.154762 0.213523 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=46) 0 -10.628568 -5.200207 -0.519877 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=46) 0 -10.045194 -5.841722 -1.387774 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=47) 0 -11.814163 -5.538442 -0.026012 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=47) 0 -12.207049 -4.934576 0.687535 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=47) 0 -12.731288 -6.572931 -0.505439 L H-HC 1 0.0000 H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=47) 0 -12.168652 -7.442057 -0.848952 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=47) 0 -13.567003 -6.026479 -1.674577 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=47) 0 -14.163672 -4.956946 -1.572432 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=48) 0 -13.653633 -6.767862 -2.776151 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=48) 0 -13.083575 -7.606121 -2.827056 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=48) 0 -14.525527 -6.489541 -3.920792 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=48) 0 -15.165055 -5.635430 -3.707064 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=48) 0 -13.685599 -6.173097 -5.166226 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=48) 0 -13.160096 -7.076119 -5.455390 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=48) 0 -14.366865 -5.930211 -5.982545 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=48) 0 -12.651714 -5.066254 -5.042911 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=48) 0 -12.928019 -3.787772 -5.554052 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=48) 0 -13.900978 -3.585775 -5.968204 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=48) 0 -11.946388 -2.780712 -5.538508 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=48) 0 -12.164923 -1.803987 -5.947205 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=48) 0 -10.677152 -3.049932 -4.999299 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=48) 0 -9.918940 -2.278607 -4.985824 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=48) 0 -10.402926 -4.321061 -4.465204 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=48) 0 -9.440743 -4.530011 -4.027464 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=48) 0 -11.384668 -5.326036 -4.488054 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=48) 0 -11.161577 -6.297576 -4.073584 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=48) 0 -15.403287 -7.724797 -4.147859 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=48) 0 -14.869307 -8.807263 -4.403788 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=49) 0 -16.723192 -7.600653 -3.984553 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=49) 0 -17.122431 -6.674101 -3.865969 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=49) 0 -17.575536 -8.753167 -3.656186 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=49) 0 -17.071349 -9.666042 -3.976683 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=49) 0 -17.723652 -8.842394 -2.129037 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=49) 0 -18.101308 -9.832267 -1.893661 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=49) 0 -16.735605 -8.767388 -1.676523 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=49) 0 -18.647046 -7.834730 -1.466530 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=49) 0 -19.895040 -8.259231 -0.968071 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=49) 0 -20.201943 -9.288909 -1.087018 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=49) 0 -20.743695 -7.344812 -0.316177 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=49) 0 -21.700896 -7.661683 0.058830 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=49) 0 -20.358762 -5.994640 -0.184519 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=49) 0 -21.169363 -5.117139 0.462761 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=49) 0 -20.887736 -4.199579 0.283180 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=49) 0 -19.123260 -5.562997 -0.709031 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=49) 0 -18.840284 -4.525420 -0.627696 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=49) 0 -18.258779 -6.488411 -1.324416 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=49) 0 -17.301138 -6.159640 -1.700490 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=49) 0 -18.943620 -8.757194 -4.348477 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=49) 0 -19.468818 -7.704264 -4.715396 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=50) 0 -19.525549 -9.952440 -4.494469 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=50) 0 -19.036678 -10.764919 -4.118962 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=50) 0 -20.858326 -10.172547 -5.057401 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=50) 0 -21.248032 -9.216498 -5.406411 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=50) 0 -20.741676 -11.088491 -6.282117 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=50) 0 -20.140620 -10.601159 -7.050275 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=50) 0 -20.263609 -12.028172 -6.005590 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=50) 0 -21.731323 -11.292468 -6.693144 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=50) 0 -21.809684 -10.739980 -3.979932 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=50) 0 -21.509087 -11.779923 -3.375780 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=51) 0 -22.981096 -10.116054 -3.736818 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=51) 0 -23.648160 -9.173680 -4.626322 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=51) 0 -23.537235 -9.455333 -5.674729 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=51) 0 -23.258518 -8.167154 -4.460674 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=51) 0 -25.117364 -9.236286 -4.223925 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=51) 0 -25.587388 -10.113056 -4.669081 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=51) 0 -25.662256 -8.337099 -4.502598 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=51) 0 -25.014411 -9.411135 -2.708987 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=51) 0 -25.927106 -9.842487 -2.297058 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=51) 0 -24.812797 -8.443011 -2.246891 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=51) 0 -23.795993 -10.330543 -2.529267 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=51) 0 -23.238503 -10.015059 -1.646989 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=51) 0 -24.229825 -11.789244 -2.326657 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=51) 0 -24.326557 -12.284450 -1.202367 L N-N--0.415700(PDBName=N,ResName=TRP,ResNum=52) 0 -24.451030 -12.520079 -3.416827 L H-H-0.271900(PDBName=H,ResName=TRP,ResNum=52) 0 -24.416556 -12.052769 -4.314841 L C-CT--0.005000(PDBName=CB,ResName=TRP,ResNum=52) 0 -25.936295 -14.078016 -4.523779 L H-HC-0.033900(PDBName=HB2,ResName=TRP,ResNum=52) 0 -26.190180 -15.132872 -4.639200 L H-HC-0.033900(PDBName=HB3,ResName=TRP,ResNum=52) 0 -26.848985 -13.555502 -4.231332 L C-C*--0.141500(PDBName=CG,ResName=TRP,ResNum=52) 0 -25.485483 -13.536650 -5.840753 L C-CW--0.163800(PDBName=CD1,ResName=TRP,ResNum=52) 0 -25.929741 -12.405935 -6.436681 L H-H4-0.206200(PDBName=HD1,ResName=TRP,ResNum=52) 0 -26.732755 -11.772021 -6.074992 L N-NA--0.341800(PDBName=NE1,ResName=TRP,ResNum=52) 0 -25.206826 -12.179432 -7.590223 L H-H-0.341200(PDBName=HE1,ResName=TRP,ResNum=52) 0 -25.419605 -11.433738 -8.251121 L C-CN-0.138000(PDBName=CE2,ResName=TRP,ResNum=52) 0 -24.281681 -13.172905 -7.808909 L C-CA--0.260100(PDBName=CZ2,ResName=TRP,ResNum=52) 0 -23.357110 -13.410668 -8.828792 L H-HA-0.157200(PDBName=HZ2,ResName=TRP,ResNum=52) 0 -23.266765 -12.730815 -9.665315 L C-CA--0.113400(PDBName=CH2,ResName=TRP,ResNum=52) 0 -22.627108 -14.604801 -8.806086 L H-HA-0.141700(PDBName=HH2,ResName=TRP,ResNum=52) 0 -21.975406 -14.841991 -9.627314 L C-CA--0.197200(PDBName=CZ3,ResName=TRP,ResNum=52) 0 -22.761093 -15.505765 -7.739315 L H-HA-0.144700(PDBName=HZ3,ResName=TRP,ResNum=52) 0 -22.178863 -16.413346 -7.730007 L C-CA--0.238700(PDBName=CE3,ResName=TRP,ResNum=52) 0 -23.686300 -15.255143 -6.716956 L H-HA-0.170000(PDBName=HE3,ResName=TRP,ResNum=52) 0 -23.850324 -16.003672 -5.962160 L C-CB-0.124300(PDBName=CD2,ResName=TRP,ResNum=52) 0 -24.466978 -14.080542 -6.726044 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=57) 0 -20.176823 -14.708029 2.202096 L H-H 153 0.0000 H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=57) 0 -20.412038 -13.721681 2.605467 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=57) 0 -21.483751 -15.477803 1.982894 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=57) 0 -21.237293 -16.432797 1.519866 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=57) 0 -21.926145 -15.691366 2.955876 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=57) 0 -22.554090 -14.761760 1.139847 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=57) 0 -22.983879 -13.933628 1.705054 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=57) 0 -22.135836 -14.382258 0.209689 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=57) 0 -23.626738 -15.811610 0.838516 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=57) 0 -23.151440 -16.646973 0.324791 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=57) 0 -24.031984 -16.164191 1.788016 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=57) 0 -24.791450 -15.340432 -0.024249 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=57) 0 -25.429270 -14.676775 0.568812 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=57) 0 -24.407784 -14.768802 -0.870335 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=57) 0 -25.572990 -16.510727 -0.499395 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=57) 0 -25.102179 -17.010565 -1.251731 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=57) 0 -25.691861 -17.191262 0.248271 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=57) 0 -26.489631 -16.216152 -0.832106 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=57) 0 -19.317956 -15.433005 3.259958 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=57) 0 -19.673594 -15.404926 4.445720 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=58) 0 -18.198822 -16.060145 2.867842 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=58) 0 -17.982877 -16.108423 1.877468 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=58) 0 -17.181477 -16.557005 3.794317 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=58) 0 -17.669492 -16.978958 4.670909 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=58) 0 -16.392824 -17.695271 3.133332 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=58) 0 -17.077627 -18.461091 2.767974 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=58) 0 -15.794998 -17.321567 2.303919 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=58) 0 -15.723686 -18.146473 3.867952 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=58) 0 -16.272274 -15.409256 4.268186 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=58) 0 -16.003235 -15.301183 5.463126 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=59) 0 -15.876487 -14.515898 3.350606 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=59) 0 -16.127788 -14.687011 2.383059 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=59) 0 -15.004190 -13.373003 3.641810 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=59) 0 -14.172937 -13.728338 4.254562 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=59) 0 -14.448092 -12.833637 2.310459 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=59) 0 -15.284330 -12.460633 1.721933 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=59) 0 -13.998819 -13.649719 1.749298 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=59) 0 -13.411929 -11.700425 2.462790 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=59) 0 -13.831920 -10.888475 3.054768 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=59) 0 -12.113834 -12.186198 3.107222 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=59) 0 -11.703422 -13.016522 2.539916 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=59) 0 -12.294352 -12.496347 4.137344 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=59) 0 -11.378955 -11.382872 3.117501 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=59) 0 -13.054561 -11.145005 1.089275 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=59) 0 -12.550788 -11.906184 0.497054 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=59) 0 -13.961076 -10.832155 0.576699 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=59) 0 -12.402464 -10.278920 1.206105 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=59) 0 -15.698583 -12.248893 4.428907 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=59) 0 -15.108383 -11.713954 5.359083 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=60) 0 -16.927462 -11.860286 4.074403 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=60) 0 -17.356178 -12.310478 3.275658 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=60) 0 -17.516677 -10.601880 4.553674 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=60) 0 -16.849192 -9.803506 4.224095 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=60) 0 -18.858126 -10.359371 3.845494 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=60) 0 -19.251852 -9.386868 4.145153 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=60) 0 -18.706926 -10.348980 2.765627 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=60) 0 -19.585124 -11.128407 4.096145 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=60) 0 -17.609344 -10.455727 6.097127 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=60) 0 -17.221476 -9.390977 6.593954 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=61) 0 -18.022880 -11.482162 6.878819 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=61) 0 -18.637699 -12.734136 6.462194 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=61) 0 -17.874012 -13.511203 6.401168 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=61) 0 -19.163520 -12.653668 5.514392 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=61) 0 -19.626246 -13.066753 7.573443 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=61) 0 -19.860299 -14.130935 7.605143 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=61) 0 -20.532685 -12.471233 7.451981 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=61) 0 -18.871401 -12.612028 8.820479 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=61) 0 -18.210692 -13.416825 9.149539 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=61) 0 -19.556121 -12.336164 9.623654 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=61) 0 -18.047033 -11.405192 8.347667 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=61) 0 -18.557655 -10.488433 8.646462 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=61) 0 -16.647853 -11.430735 8.983767 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=61) 0 -16.456935 -10.938930 10.097689 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=62) 0 -15.661067 -11.979877 8.272192 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=62) 0 -15.870431 -12.336223 7.349479 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=62) 0 -14.256491 -12.020846 8.688190 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=62) 0 -14.212639 -12.148298 9.765801 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=62) 0 -13.553564 -13.213856 8.027930 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=62) 0 -13.738744 -13.209441 6.954571 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=62) 0 -12.479260 -13.119839 8.183652 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=62) 0 -14.035372 -14.547427 8.617300 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=62) 0 -15.111993 -14.643792 8.461060 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=62) 0 -13.550033 -15.364154 8.079803 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=62) 0 -13.717867 -14.668842 10.113334 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=62) 0 -14.354464 -15.489179 10.813155 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=62) 0 -12.814299 -13.966653 10.613172 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=62) 0 -13.530618 -10.710469 8.386634 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=62) 0 -12.746759 -10.237425 9.204237 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=63) 0 -13.894302 -10.041631 7.292385 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=63) 0 -14.492662 -10.517277 6.626042 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=63) 0 -13.560653 -8.639940 7.051424 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=63) 0 -12.474409 -8.538957 7.066677 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=63) 0 -14.084353 -8.223159 5.667211 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=63) 0 -14.638338 -9.037892 5.199812 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=63) 0 -14.776731 -7.386726 5.772281 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=63) 0 -12.961076 -7.825912 4.742376 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=63) 0 -12.014776 -8.787541 4.343844 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=63) 0 -12.124377 -9.810146 4.675034 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=63) 0 -10.919093 -8.410098 3.546002 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=63) 0 -10.177536 -9.132569 3.239710 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=63) 0 -10.779679 -7.063897 3.157768 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=63) 0 -9.739979 -6.675472 2.391732 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=63) 0 -9.803711 -5.738167 2.193606 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=63) 0 -11.724342 -6.103401 3.558714 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=63) 0 -11.601636 -5.077120 3.263019 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=63) 0 -12.823290 -6.487524 4.341552 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=63) 0 -13.558506 -5.756426 4.638070 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=63) 0 -14.107944 -7.733938 8.161538 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=63) 0 -13.401909 -6.846323 8.638810 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=64) 0 -15.324454 -8.008201 8.643989 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=64) 0 -15.880585 -8.713208 8.177164 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=64) 0 -15.884748 -7.335808 9.811152 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=64) 0 -15.773302 -6.259609 9.668441 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=64) 0 -17.387507 -7.628684 9.868826 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=64) 0 -17.575503 -8.698036 9.898061 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=64) 0 -17.817328 -7.177305 10.760501 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=64) 0 -17.876814 -7.209551 8.988928 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=64) 0 -15.129079 -7.683361 11.114164 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=64) 0 -14.808528 -6.763125 11.871577 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=65) 0 -14.751584 -8.951648 11.362310 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=65) 0 -15.067803 -9.679706 10.729382 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=65) 0 -13.900214 -9.326956 12.515897 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=65) 0 -14.376232 -8.984751 13.436709 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=65) 0 -13.678326 -10.850645 12.610785 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=65) 0 -13.662856 -11.276684 11.610998 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=65) 0 -12.701591 -11.010924 13.066290 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=65) 0 -14.670376 -11.627099 13.486703 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=65) 0 -14.529292 -11.331347 14.527236 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=65) 0 -15.686038 -11.374745 13.189382 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=65) 0 -14.503425 -13.155103 13.365662 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=65) 0 -15.152787 -13.633926 14.098971 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=65) 0 -14.859819 -13.440968 12.376079 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=65) 0 -13.065842 -13.686515 13.544885 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=65) 0 -12.414045 -13.153170 12.847921 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=65) 0 -12.722764 -13.499658 14.565497 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=65) 0 -12.987560 -15.133316 13.223667 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=65) 0 -13.379930 -15.281659 12.289418 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=65) 0 -12.036285 -15.480961 13.178515 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=65) 0 -13.510464 -15.690451 13.890762 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=65) 0 -12.539522 -8.629296 12.451957 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=65) 0 -12.080032 -8.139806 13.478381 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=66) 0 -11.921009 -8.540598 11.272944 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=66) 0 -12.335169 -9.028920 10.485953 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=66) 0 -10.646855 -7.858630 11.051636 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=66) 0 -9.915232 -8.238255 11.765632 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=66) 0 -10.145356 -8.188330 9.641668 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=66) 0 -9.187980 -7.695003 9.471559 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=66) 0 -10.010883 -9.262763 9.536150 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=66) 0 -10.862782 -7.849651 8.894403 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=66) 0 -10.758762 -6.341184 11.261374 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=66) 0 -9.895429 -5.752765 11.908993 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=67) 0 -11.833789 -5.709651 10.777860 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=67) 0 -12.479980 -6.227211 10.189951 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=67) 0 -12.090980 -4.287251 10.994686 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=67) 0 -11.216262 -3.722251 10.685306 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=67) 0 -13.278152 -3.857239 10.131497 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=67) 0 -13.441977 -2.788034 10.253304 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=67) 0 -13.064466 -4.064884 9.086507 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=67) 0 -14.180651 -4.394103 10.425374 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=67) 0 -12.321779 -3.955023 12.471891 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=67) 0 -11.739699 -2.991659 12.975601 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=68) 0 -13.108902 -4.781626 13.168046 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=68) 0 -13.549584 -5.547243 12.669892 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=68) 0 -13.341886 -4.674656 14.607347 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=68) 0 -13.738010 -3.686049 14.840707 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=68) 0 -14.073541 -5.425332 14.906980 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=68) 0 -12.060201 -4.897987 15.410214 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=68) 0 -11.746528 -4.078641 16.271706 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=69) 0 -11.285336 -5.936681 15.058496 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=69) 0 -11.644573 -6.566123 14.348356 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=69) 0 -9.966856 -6.257745 15.625067 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=69) 0 -10.075041 -6.425220 16.698762 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=69) 0 -9.405783 -7.544182 14.990931 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=69) 0 -9.987594 -8.387247 15.355444 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=69) 0 -9.518342 -7.495495 13.909109 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=69) 0 -7.917641 -7.787239 15.295899 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=69) 0 -7.316164 -7.088344 14.713310 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=69) 0 -7.725522 -7.605530 16.354476 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=69) 0 -7.489937 -9.212032 14.918683 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=69) 0 -8.155500 -9.613889 14.152940 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=69) 0 -6.481048 -9.190071 14.505328 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=69) 0 -7.508902 -10.126481 16.144253 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=69) 0 -8.375113 -9.884231 16.766014 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=69) 0 -7.605176 -11.160741 15.803303 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=69) 0 -6.253965 -9.993236 16.918281 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=69) 0 -5.486896 -10.341929 16.350370 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=69) 0 -6.018964 -9.018105 17.120153 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=69) 0 -6.278745 -10.542223 17.772075 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=69) 0 -8.995780 -5.101662 15.479665 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=69) 0 -8.571495 -4.563228 16.488813 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=70) 0 -8.664896 -4.679776 14.259287 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=70) 0 -9.070414 -5.143669 13.454086 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=70) 0 -7.655113 -3.638958 14.052521 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=70) 0 -6.750400 -3.943729 14.575757 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=70) 0 -7.337916 -3.513712 12.549831 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=70) 0 -8.267166 -3.559042 11.979851 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=70) 0 -6.885740 -2.541492 12.357382 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=70) 0 -6.365323 -4.602419 12.051266 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=70) 0 -6.719953 -5.583378 12.366390 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=70) 0 -6.283044 -4.580894 10.524798 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=70) 0 -6.194454 -3.556314 10.168557 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=70) 0 -5.430368 -5.161546 10.176199 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=70) 0 -7.183997 -5.028978 10.120520 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=70) 0 -4.945993 -4.395406 12.582357 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=70) 0 -4.598305 -3.400486 12.317335 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=70) 0 -4.923486 -4.501382 13.664732 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=70) 0 -4.274889 -5.142064 12.162083 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=70) 0 -8.072122 -2.310924 14.701466 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=70) 0 -7.229822 -1.623496 15.277068 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=71) 0 -9.372902 -1.994466 14.729047 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=71) 0 -10.028080 -2.603006 14.252570 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=71) 0 -9.886032 -0.805261 15.419606 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=71) 0 -9.245609 0.034959 15.145737 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=71) 0 -11.292132 -0.511279 14.884428 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=71) 0 -11.219991 -0.442116 13.798143 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=71) 0 -11.957498 -1.340712 15.130271 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=71) 0 -11.907835 0.794997 15.402524 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=71) 0 -12.265223 0.643430 16.419544 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=71) 0 -11.159095 1.584834 15.399870 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=71) 0 -13.072335 1.199261 14.487126 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=71) 0 -12.678465 1.651050 13.574870 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=71) 0 -13.614382 0.296802 14.207841 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=71) 0 -14.085237 2.144929 15.135661 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=71) 0 -14.890149 2.327616 14.420711 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=71) 0 -14.530934 1.645771 16.001164 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=71) 0 -13.514738 3.443249 15.559115 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=71) 0 -13.043863 3.940281 14.809428 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=71) 0 -14.282236 4.022285 15.899792 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=71) 0 -12.894304 3.312631 16.353216 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=71) 0 -9.794408 -0.931336 16.946349 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=71) 0 -9.446877 0.057474 17.591318 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=72) 0 -9.998989 -2.119143 17.519084 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=72) 0 -10.299288 -2.889246 16.932660 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=72) 0 -9.807949 -2.400982 18.946273 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=72) 0 -10.252561 -1.590166 19.524023 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=72) 0 -10.569219 -3.685999 19.287737 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=72) 0 -10.139638 -4.533916 18.752168 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=72) 0 -10.509032 -3.874756 20.358675 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=72) 0 -11.618869 -3.582150 19.012935 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=72) 0 -8.318691 -2.484569 19.347040 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=72) 0 -7.931887 -1.972465 20.398538 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=73) 0 -7.452853 -3.004446 18.474415 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=73) 0 -7.844137 -3.475224 17.664186 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=73) 0 -5.982974 -2.965461 18.569125 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=73) 0 -5.688031 -3.330893 19.550621 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=73) 0 -5.359369 -3.908336 17.516129 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=73) 0 -5.743923 -3.640836 16.533230 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=73) 0 -4.280339 -3.752217 17.506444 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=73) 0 -5.613413 -5.407307 17.782875 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=73) 0 -5.221587 -5.652188 18.769762 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=73) 0 -6.684408 -5.603532 17.805250 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=73) 0 -4.956067 -6.340557 16.748323 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=73) 0 -4.367480 -5.856761 15.754980 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=73) 0 -5.002360 -7.582785 16.936452 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=73) 0 -5.409226 -1.533507 18.434969 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=73) 0 -4.193692 -1.334765 18.522885 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=74) 0 -6.266111 -0.522985 18.235918 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=74) 0 -7.246668 -0.753578 18.164693 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=74) 0 -5.891398 0.888441 18.116477 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=74) 0 -6.784350 1.500288 18.240802 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=74) 0 -5.187633 1.140232 18.910252 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=74) 0 -5.247802 1.248038 16.774350 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=74) 0 -4.708649 2.345558 16.630921 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=75) 0 -5.295304 0.348891 15.792663 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=75) 0 -5.847878 -0.489084 15.941592 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=75) 0 -4.543790 0.431931 14.543216 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=75) 0 -3.513720 0.693434 14.785690 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=75) 0 -4.531622 -0.931059 13.855945 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=75) 0 -4.263105 -1.712475 14.568357 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=75) 0 -5.521095 -1.140305 13.452906 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=75) 0 -3.599542 -0.909972 12.800464 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=75) 0 -2.773400 -1.324567 13.135120 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=75) 0 -5.086212 1.467582 13.562404 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=75) 0 -6.297550 1.606675 13.360975 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=76) 0 -4.164284 2.140914 12.883747 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=76) 0 -3.191260 1.981802 13.140101 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=76) 0 -4.401236 2.985008 11.714683 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=76) 0 -5.266903 3.614103 11.925716 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=76) 0 -3.188395 3.918160 11.518775 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=76) 0 -3.490603 4.707711 10.832434 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=76) 0 -2.954983 4.401895 12.468540 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=76) 0 -1.903384 3.281744 10.947153 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=76) 0 -2.127452 2.885247 9.954964 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=76) 0 -1.167474 4.077090 10.812681 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=76) 0 -1.271988 2.177478 11.813889 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=76) 0 -1.391781 2.229985 13.062635 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=76) 0 -0.681570 1.242197 11.232717 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=76) 0 -4.729316 2.187392 10.435263 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=76) 0 -5.258299 2.765558 9.482873 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=77) 0 -4.452899 0.876584 10.410593 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=77) 0 -4.043156 0.460783 11.242579 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=77) 0 -4.774810 -0.028462 9.296753 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=77) 0 -4.434990 0.429290 8.369773 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=77) 0 -4.089480 -1.406192 9.471904 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=77) 0 -4.574239 -1.900873 10.313874 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=77) 0 -4.309014 -2.266856 8.211753 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=77) 0 -5.369677 -2.466217 8.058315 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=77) 0 -3.913224 -1.761487 7.331668 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=77) 0 -3.806832 -3.223670 8.325473 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=77) 0 -2.578906 -1.343753 9.789704 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=77) 0 -2.014841 -1.120268 8.887148 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=77) 0 -2.378461 -0.552698 10.506172 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=77) 0 -2.062984 -2.648365 10.414473 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=77) 0 -2.041671 -3.450570 9.679205 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=77) 0 -1.060282 -2.490049 10.803864 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=77) 0 -2.692963 -2.946978 11.247656 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=77) 0 -6.291464 -0.234627 9.226601 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=77) 0 -6.908841 -0.556645 10.245281 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=78) 0 -6.895279 -0.108096 8.037295 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=78) 0 -6.315360 0.141418 7.238940 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=78) 0 -8.339208 -0.325323 7.814570 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=78) 0 -8.780051 -0.709169 8.735875 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=78) 0 -9.039275 1.007262 7.470977 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=78) 0 -8.623818 1.396836 6.543135 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=78) 0 -10.100234 0.820408 7.301161 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=78) 0 -8.919106 2.103494 8.542861 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=78) 0 -7.876382 2.409633 8.623845 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=78) 0 -9.500016 2.962897 8.214057 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=78) 0 -9.409413 1.689612 9.934902 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=78) 0 -8.884673 0.793328 10.238347 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=78) 0 -9.142638 2.459956 10.654500 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=78) 0 -10.857860 1.422732 9.980312 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=78) 0 -11.126067 0.448194 10.069592 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=78) 0 -11.812940 2.319879 10.116254 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=78) 0 -11.549263 3.576260 10.300961 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=78) 0 -10.594597 3.868827 10.498141 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=78) 0 -12.297938 4.211362 10.514077 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=78) 0 -13.064332 1.971168 10.072949 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=78) 0 -13.311907 1.024380 9.805925 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=78) 0 -13.791425 2.685702 10.072335 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=78) 0 -8.636772 -1.408077 6.775736 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=78) 0 -7.767316 -1.860044 6.031804 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=79) 0 -9.904467 -1.809759 6.741192 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=79) 0 -10.547598 -1.364112 7.376781 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=79) 0 -10.482520 -2.792199 5.826981 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=79) 0 -9.735720 -3.122933 5.108971 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=79) 0 -11.014853 -4.008569 6.611559 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=79) 0 -11.790965 -3.660084 7.291133 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=79) 0 -11.505852 -4.668488 5.900783 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=79) 0 -10.032327 -4.873947 7.420414 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=79) 0 -10.607959 -5.706477 7.823196 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=79) 0 -8.912796 -5.449758 6.560614 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=79) 0 -9.339799 -6.052504 5.758685 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=79) 0 -8.312311 -4.643467 6.141723 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=79) 0 -8.269679 -6.075417 7.176649 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=79) 0 -9.398114 -4.145369 8.604536 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=79) 0 -8.453262 -3.683007 8.321261 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=79) 0 -10.068070 -3.376091 8.978402 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=79) 0 -9.215347 -4.865430 9.396816 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=79) 0 -11.643160 -2.120766 5.087139 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=79) 0 -12.437782 -1.446263 5.733781 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=80) 0 -11.779395 -2.309835 3.777066 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=80) 0 -11.075426 -2.867835 3.305949 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=80) 0 -12.838729 -1.721613 2.949622 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=80) 0 -13.563105 -1.224600 3.588865 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=80) 0 -12.207995 -0.671209 2.035468 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=80) 0 -11.777356 0.129974 2.633186 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=80) 0 -11.428439 -1.131256 1.431498 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=80) 0 -12.970673 -0.260570 1.376165 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=80) 0 -13.601348 -2.771957 2.128264 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=80) 0 -13.021590 -3.790839 1.774678 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=81) 0 -14.867154 -2.509759 1.779509 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=81) 0 -15.251757 -1.619066 2.077082 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=81) 0 -15.722429 -3.360447 0.939132 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=81) 0 -15.085099 -4.126825 0.499041 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=81) 0 -16.762132 -4.115223 1.793167 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=81) 0 -17.248338 -4.859292 1.164085 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=81) 0 -16.231486 -4.656395 2.573841 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=81) 0 -17.841633 -3.236983 2.450810 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=81) 0 -17.368686 -2.510652 3.112137 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=81) 0 -18.383855 -2.696492 1.676121 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=81) 0 -16.336020 -2.582677 -0.232544 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=81) 0 -16.883032 -1.488529 -0.063851 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=82) 0 -16.254893 -3.168265 -1.423200 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=82) 0 -15.706932 -4.021565 -1.470094 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=82) 0 -16.675774 -2.597213 -2.708297 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=82) 0 -17.099615 -1.612010 -2.551977 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=82) 0 -15.476623 -2.400084 -3.648310 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=82) 0 -15.011372 -3.362782 -3.845771 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=82) 0 -15.939184 -1.791540 -4.979336 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=82) 0 -16.497380 -0.874265 -4.796942 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=82) 0 -15.077184 -1.581298 -5.607834 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=82) 0 -16.581136 -2.493342 -5.511366 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=82) 0 -14.432107 -1.476097 -3.008582 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=82) 0 -14.901859 -0.549136 -2.683215 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=82) 0 -13.982743 -1.971096 -2.148260 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=82) 0 -13.638141 -1.257556 -3.721743 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=82) 0 -17.733551 -3.486929 -3.350635 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=82) 0 -17.448918 -4.622826 -3.733860 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=83) 0 -18.950680 -2.962497 -3.474960 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=83) 0 -19.119800 -2.026982 -3.123409 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=83) 0 -20.078881 -3.693326 -4.050455 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=83) 0 -20.091640 -4.697511 -3.619587 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=83) 0 -21.387777 -3.001041 -3.647333 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=83) 0 -21.354923 -2.745672 -2.591516 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=83) 0 -21.513647 -2.076256 -4.212855 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=83) 0 -22.577739 -3.919530 -3.889366 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=83) 0 -22.732703 -4.368455 -5.043131 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=83) 0 -23.337944 -4.196752 -2.932316 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=83) 0 -19.940592 -3.828299 -5.579144 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=83) 0 -20.021410 -2.842607 -6.323343 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=84) 0 -19.734422 -5.054251 -6.065696 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=84) 0 -19.686021 -5.842036 -5.425464 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=84) 0 -19.505102 -5.310455 -7.484545 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=84) 0 -18.851308 -4.521360 -7.858241 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=84) 0 -18.744250 -6.631326 -7.637000 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=84) 0 -18.413187 -6.733520 -8.669901 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=84) 0 -17.870029 -6.637654 -6.984501 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=84) 0 -19.394570 -7.469432 -7.382265 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=84) 0 -20.780689 -5.260796 -8.351363 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=84) 0 -20.668022 -5.378575 -9.575336 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=85) 0 -21.972255 -5.074746 -7.770679 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=85) 0 -22.025162 -5.005950 -6.754478 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=85) 0 -23.241010 -4.931303 -8.511115 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=85) 0 -23.058929 -5.067337 -9.576855 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=85) 0 -24.264008 -6.011269 -8.111949 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=85) 0 -25.140244 -5.912501 -8.752060 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=85) 0 -23.720976 -7.434728 -8.243428 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=85) 0 -22.875606 -7.588202 -7.573675 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=85) 0 -24.508347 -8.144133 -7.988720 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=85) 0 -23.413885 -7.612485 -9.272366 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=85) 0 -24.675150 -5.862350 -6.778056 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=85) 0 -25.396100 -5.195088 -6.795992 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=85) 0 -23.844975 -3.531103 -8.365486 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=85) 0 -24.447111 -3.030144 -9.315732 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=86) 0 -23.666579 -2.850787 -7.226508 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=86) 0 -23.249778 -3.355981 -6.443078 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=86) 0 -24.238280 -1.513760 -6.978276 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=86) 0 -25.035754 -1.335283 -7.699075 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=86) 0 -24.884335 -1.419671 -5.584602 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=86) 0 -24.102462 -1.410306 -4.823857 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=86) 0 -25.412093 -0.466684 -5.527159 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=86) 0 -25.882567 -2.537388 -5.244434 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=86) 0 -25.320820 -3.392898 -4.876104 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=86) 0 -26.532389 -2.193692 -4.437114 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=86) 0 -26.734863 -2.980878 -6.436461 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=86) 0 -27.430324 -2.141654 -7.057550 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=86) 0 -26.675481 -4.170783 -6.821608 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=86) 0 -23.253816 -0.357318 -7.188651 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=86) 0 -23.663503 0.687260 -7.697734 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=87) 0 -21.966752 -0.516473 -6.859748 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=87) 0 -21.670979 -1.397910 -6.453339 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=87) 0 -20.933972 0.467948 -7.224193 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=87) 0 -21.390478 1.451231 -7.343044 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=87) 0 -19.846158 0.583434 -6.140264 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=87) 0 -19.442646 -0.400378 -5.907944 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=87) 0 -19.025863 1.188842 -6.530010 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=87) 0 -20.354510 1.231718 -4.847778 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=87) 0 -21.140295 0.609325 -4.414226 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=87) 0 -19.531963 1.276082 -4.132888 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=87) 0 -20.879398 2.647633 -5.100560 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=87) 0 -22.069979 2.910869 -4.818964 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=87) 0 -20.112904 3.505727 -5.597582 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=87) 0 -20.318730 0.135683 -8.582731 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=87) 0 -20.259538 1.011245 -9.448323 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=88) 0 -19.922406 -1.130042 -8.779901 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=88) 0 -20.035004 -1.757872 -7.987346 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=88) 0 -19.343879 -1.713460 -10.004772 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=88) 0 -19.089047 -2.746978 -9.772161 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=88) 0 -20.411823 -1.768157 -11.104343 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=88) 0 -21.294644 -2.291125 -10.732036 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=88) 0 -20.698995 -0.755158 -11.389504 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=88) 0 -19.913791 -2.444893 -12.238947 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=88) 0 -20.528620 -2.241929 -12.979986 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=88) 0 -18.042786 -1.057387 -10.499960 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=88) 0 -16.987631 -1.690722 -10.503988 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=89) 0 -18.077101 0.227659 -10.851287 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=89) 0 -18.965537 0.700954 -10.733680 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=89) 0 -16.982192 0.967496 -11.487527 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=89) 0 -16.673883 0.425791 -12.381451 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=89) 0 -17.468862 2.362498 -11.889056 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=89) 0 -17.795168 2.898770 -10.997805 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=89) 0 -16.637308 2.911850 -12.329194 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=89) 0 -18.593751 2.323575 -12.909899 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=89) 0 -18.468435 1.594438 -13.914737 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=89) 0 -19.586450 3.068653 -12.733380 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=89) 0 -15.746625 1.133809 -10.602922 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=89) 0 -14.647831 1.335121 -11.120044 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=90) 0 -15.904220 1.035720 -9.280267 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=90) 0 -16.839421 0.903073 -8.926536 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=90) 0 -14.776200 0.985799 -8.353322 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=90) 0 -14.052789 1.736523 -8.662804 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=90) 0 -15.267845 1.347054 -6.940066 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=90) 0 -15.684539 2.354158 -6.959819 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=90) 0 -16.059639 0.656603 -6.649551 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=90) 0 -14.147185 1.293644 -5.886246 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=90) 0 -13.765645 0.277046 -5.814554 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=90) 0 -12.989879 2.220294 -6.234674 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=90) 0 -13.332846 3.252245 -6.314242 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=90) 0 -12.237245 2.131300 -5.459444 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=90) 0 -12.524330 1.924885 -7.172269 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=90) 0 -14.664003 1.697488 -4.509021 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=90) 0 -13.909544 1.464532 -3.760367 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=90) 0 -14.862928 2.763445 -4.484010 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=90) 0 -15.579099 1.158362 -4.274525 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=90) 0 -14.053731 -0.369813 -8.410544 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=90) 0 -12.828823 -0.422003 -8.354558 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=91) 0 -14.794040 -1.465575 -8.581532 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=91) 0 -15.784573 -1.363079 -8.751042 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=91) 0 -14.214216 -2.796223 -8.721446 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=91) 0 -13.437710 -2.917701 -7.969562 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=91) 0 -15.322799 -3.825994 -8.459814 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=91) 0 -14.877776 -4.798785 -8.272467 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=91) 0 -15.897439 -3.547678 -7.576589 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=91) 0 -15.994307 -3.892873 -9.316880 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=91) 0 -13.520418 -2.949644 -10.084417 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=91) 0 -12.354280 -3.338198 -10.152609 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=92) 0 -14.179800 -2.505427 -11.158475 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=92) 0 -15.138275 -2.194262 -11.033009 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=92) 0 -13.619910 -2.502257 -12.515178 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=92) 0 -13.172050 -3.480556 -12.688372 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=92) 0 -14.754168 -2.312835 -13.541809 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=92) 0 -15.230529 -1.348231 -13.365903 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=92) 0 -14.324068 -2.298602 -14.544271 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=92) 0 -15.834566 -3.412774 -13.496910 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=92) 0 -16.359713 -3.380697 -12.542816 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=92) 0 -16.565915 -3.216377 -14.280840 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=92) 0 -15.258861 -4.812577 -13.692031 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=92) 0 -14.895890 -5.501325 -12.746656 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=92) 0 -15.091013 -5.282722 -14.906785 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=92) 0 -14.640942 -6.189898 -15.009888 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=92) 0 -15.397619 -4.755350 -15.704220 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=92) 0 -12.464446 -1.496477 -12.719231 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=92) 0 -11.852319 -1.481913 -13.789120 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=93) 0 -12.110018 -0.694236 -11.704796 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=93) 0 -12.658401 -0.724318 -10.857096 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=93) 0 -10.896447 0.136835 -11.695788 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=93) 0 -10.667486 0.400789 -12.724858 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=93) 0 -11.154675 1.443074 -10.914187 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=93) 0 -12.218097 1.526866 -10.711106 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=93) 0 -10.659171 1.407388 -9.942669 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=93) 0 -10.737518 2.720209 -11.670474 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=93) 0 -10.814561 2.573986 -12.746621 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=93) 0 -11.434709 3.515280 -11.413423 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=93) 0 -9.342712 3.217379 -11.310320 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=93) 0 -9.175800 4.004361 -10.387589 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=93) 0 -8.312907 2.826252 -12.022929 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=93) 0 -7.379605 3.084654 -11.722826 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=93) 0 -8.450664 2.195719 -12.808795 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=93) 0 -9.656774 -0.604620 -11.168075 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=93) 0 -8.544091 -0.193252 -11.485211 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=94) 0 -9.819335 -1.702714 -10.416774 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=94) 0 -10.762510 -2.009069 -10.206500 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=94) 0 -8.716421 -2.385951 -9.716910 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=94) 0 -7.775257 -2.014936 -10.120921 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=94) 0 -8.735867 -2.007897 -8.225646 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=94) 0 -9.657894 -2.384781 -7.780880 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=94) 0 -7.899358 -2.494037 -7.722506 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=94) 0 -8.617540 -0.514138 -7.976694 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=94) 0 -7.496481 0.192331 -8.458240 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=94) 0 -6.708220 -0.332651 -8.979077 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=94) 0 -7.417901 1.589507 -8.312059 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=94) 0 -6.575828 2.124669 -8.717712 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=94) 0 -8.449921 2.282682 -7.648749 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=94) 0 -8.413912 3.633528 -7.519316 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=94) 0 -7.723936 4.030828 -8.065767 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=94) 0 -9.546472 1.571110 -7.131226 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=94) 0 -10.315459 2.117504 -6.617687 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=94) 0 -9.641452 0.178600 -7.304500 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=94) 0 -10.510800 -0.349719 -6.941350 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=94) 0 -8.645350 -3.903749 -9.957554 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=94) 0 -8.016247 -4.622369 -9.185612 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=95) 0 -9.248332 -4.399338 -11.041609 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=95) 0 -9.806812 -3.773427 -11.599659 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=95) 0 -9.039147 -5.763989 -11.534672 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=95) 0 -9.443777 -5.851398 -12.543433 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=95) 0 -7.969526 -5.955660 -11.581757 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=95) 0 -9.669033 -6.842015 -10.652504 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=95) 0 -9.035744 -7.376452 -9.737581 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=96) 0 -10.925499 -7.175917 -10.945342 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=96) 0 -11.369802 -6.689443 -11.719595 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=96) 0 -11.690163 -8.218402 -10.251948 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=96) 0 -11.420824 -8.195894 -9.196807 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=96) 0 -13.206616 -7.958685 -10.340320 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=96) 0 -13.516440 -7.990418 -11.382293 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=96) 0 -14.016341 -8.988412 -9.541825 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=96) 0 -15.081061 -8.770819 -9.629904 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=96) 0 -13.848122 -9.989949 -9.931282 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=96) 0 -13.731620 -8.960206 -8.489773 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=96) 0 -13.574288 -6.582399 -9.790178 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=96) 0 -14.653456 -6.445590 -9.856737 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=96) 0 -13.245267 -6.490329 -8.754832 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=96) 0 -13.100992 -5.807962 -10.390058 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=96) 0 -11.309125 -9.588029 -10.814223 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=96) 0 -11.850698 -10.046002 -11.828664 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=97) 0 -10.394653 -10.276857 -10.130630 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=97) 0 -10.029407 -9.832039 -9.294765 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=97) 0 -9.989848 -11.666548 -10.391569 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=97) 0 -9.991224 -11.824402 -11.469124 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=97) 0 -8.543620 -11.888973 -9.935695 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=97) 0 -8.267683 -12.898071 -10.232904 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=97) 0 -7.898871 -11.204590 -10.486470 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=97) 0 -8.272721 -11.696136 -8.429550 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=97) 0 -8.065974 -10.642398 -8.238274 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=97) 0 -9.140560 -11.981523 -7.836855 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=97) 0 -7.081802 -12.547493 -7.967933 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=97) 0 -6.841346 -12.289444 -6.937915 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=97) 0 -7.363510 -13.599006 -7.974993 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=97) 0 -5.893051 -12.317895 -8.804670 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=97) 0 -5.457524 -11.405144 -8.709976 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=97) 0 -5.391127 -13.107360 -9.734311 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=97) 0 -5.905617 -14.269222 -10.030511 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=97) 0 -6.748130 -14.588438 -9.570289 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=97) 0 -5.518459 -14.833299 -10.775355 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=97) 0 -4.356102 -12.707724 -10.407534 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=97) 0 -4.030397 -11.752374 -10.303563 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=97) 0 -3.993863 -13.284434 -11.158335 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=97) 0 -10.988807 -12.686478 -9.832416 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=97) 0 -10.628810 -13.610792 -9.100170 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=98) 0 -12.263174 -12.499080 -10.161431 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=98) 0 -12.476111 -11.722333 -10.771465 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=98) 0 -13.369211 -13.207910 -9.528335 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=98) 0 -14.226607 -13.226333 -10.197520 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=98) 0 -13.072075 -14.236209 -9.332945 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=98) 0 -13.799906 -12.597679 -8.195337 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=98) 0 -13.233023 -11.614999 -7.716273 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=99) 0 -14.812235 -13.205182 -7.586996 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=99) 0 -15.188230 -14.037900 -8.023853 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=99) 0 -15.426098 -12.763310 -6.342734 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=99) 0 -14.987927 -11.801778 -6.093363 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=99) 0 -16.923287 -12.485288 -6.537797 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=99) 0 -17.484608 -13.405144 -6.400942 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=99) 0 -17.246863 -11.809939 -5.747263 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=99) 0 -17.319819 -11.876051 -7.872257 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=99) 0 -17.425051 -10.479806 -8.012941 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=99) 0 -17.170917 -9.830556 -7.186024 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=99) 0 -17.901146 -9.931916 -9.219605 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=99) 0 -17.996953 -8.865257 -9.324215 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=99) 0 -18.289084 -10.778392 -10.280673 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=99) 0 -18.777510 -10.269508 -11.438588 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=99) 0 -18.755094 -9.293309 -11.427714 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=99) 0 -18.135829 -12.170297 -10.156164 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=99) 0 -18.431095 -12.813119 -10.973830 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=99) 0 -17.634760 -12.712956 -8.961356 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=99) 0 -17.551606 -13.783097 -8.864226 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=99) 0 -15.149974 -13.788062 -5.218019 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=99) 0 -15.233506 -15.003433 -5.454188 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=100) 0 -14.745042 -13.345328 -4.016993 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=100) 0 -14.644393 -14.175857 -2.830681 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=100) 0 -14.102864 -15.098656 -3.035727 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=100) 0 -15.648658 -14.401562 -2.483594 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=100) 0 -13.909144 -13.339261 -1.783954 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=100) 0 -12.840117 -13.532614 -1.847198 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=100) 0 -14.278957 -13.537633 -0.778076 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=100) 0 -14.180680 -11.901153 -2.218073 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=100) 0 -13.399850 -11.215535 -1.886187 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=100) 0 -15.150915 -11.583727 -1.843227 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=100) 0 -14.248852 -12.004075 -3.739003 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=100) 0 -14.954285 -11.254641 -4.094309 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=100) 0 -12.872497 -11.789034 -4.387584 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=100) 0 -12.045751 -12.705915 -4.448815 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=101) 0 -12.603904 -10.565558 -4.828637 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=101) 0 -13.343272 -9.871675 -4.746448 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=101) 0 -11.236080 -10.063788 -5.017495 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=101) 0 -10.549948 -10.895512 -5.169291 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=101) 0 -11.133418 -9.176117 -6.264245 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=101) 0 -11.991202 -8.514376 -6.321985 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=101) 0 -9.853861 -8.347271 -6.373458 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=101) 0 -8.982945 -9.001104 -6.358173 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=101) 0 -9.867180 -7.788670 -7.307656 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=101) 0 -9.788787 -7.631399 -5.556037 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=101) 0 -11.136075 -10.012523 -7.388991 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=101) 0 -11.950789 -10.554459 -7.372543 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=101) 0 -10.816374 -9.351561 -3.737415 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=101) 0 -11.638546 -8.714396 -3.080897 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=102) 0 -9.546902 -9.481626 -3.363857 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=102) 0 -8.921661 -10.008819 -3.963698 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=102) 0 -8.954898 -8.829207 -2.199251 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=102) 0 -9.620002 -8.033167 -1.887847 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=102) 0 -8.784947 -9.785704 -0.995657 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=102) 0 -7.935738 -10.434193 -1.195564 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=102) 0 -8.477229 -8.933515 0.247605 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=102) 0 -8.286277 -9.572278 1.110736 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=102) 0 -7.596170 -8.312637 0.094440 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=102) 0 -9.329183 -8.289918 0.462933 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=102) 0 -10.002207 -10.676766 -0.649284 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=102) 0 -9.957918 -10.945804 0.407173 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=102) 0 -10.925422 -10.119297 -0.809213 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=102) 0 -10.051994 -12.000093 -1.423945 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=102) 0 -10.282158 -11.826173 -2.470872 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=102) 0 -9.095088 -12.516459 -1.342206 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=102) 0 -10.827035 -12.636581 -1.000790 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=102) 0 -7.612114 -8.219087 -2.612680 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=102) 0 -6.758781 -8.927862 -3.152312 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=103) 0 -7.412826 -6.924638 -2.345767 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=103) 0 -8.173637 -6.417785 -1.900040 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=103) 0 -6.169128 -6.188029 -2.643414 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=103) 0 -5.364631 -6.901786 -2.822679 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=103) 0 -6.343486 -5.332296 -3.910097 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=103) 0 -7.261956 -4.753446 -3.838486 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=103) 0 -5.507567 -4.633037 -3.983807 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=103) 0 -6.353415 -6.187319 -5.183255 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=103) 0 -5.397925 -6.701705 -5.244318 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=103) 0 -7.154741 -6.925134 -5.142484 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=103) 0 -6.526524 -5.329929 -6.439864 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=103) 0 -7.582156 -5.104284 -6.598535 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=103) 0 -5.988670 -4.390734 -6.308775 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=103) 0 -5.931195 -6.031939 -7.664266 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=103) 0 -5.886832 -5.312601 -8.487481 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=103) 0 -4.907379 -6.326661 -7.424560 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=103) 0 -6.697984 -7.221025 -8.104349 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=103) 0 -7.616596 -6.972379 -8.464370 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=103) 0 -6.198176 -7.682086 -8.856298 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=103) 0 -6.764484 -7.925056 -7.368151 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=103) 0 -5.709677 -5.320581 -1.473814 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=103) 0 -6.512133 -4.948059 -0.625985 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=104) 0 -4.430503 -4.975668 -1.444776 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=104) 0 -3.849374 -5.301927 -2.209522 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=104) 0 -3.807924 -4.044793 -0.506310 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=104) 0 -4.503777 -3.820769 0.299407 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=104) 0 -2.566791 -4.716558 0.088269 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=104) 0 -2.873867 -5.660680 0.529688 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=104) 0 -1.884614 -4.957178 -0.724543 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=104) 0 -1.819643 -3.910493 1.136339 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=104) 0 -2.465589 -3.511189 2.322605 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=104) 0 -3.501632 -3.767208 2.488161 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=104) 0 -1.770490 -2.767253 3.292779 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=104) 0 -2.278428 -2.452354 4.191791 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=104) 0 -0.420064 -2.434459 3.089340 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=104) 0 0.120580 -1.862526 3.829470 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=104) 0 0.230045 -2.843520 1.913354 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=104) 0 1.273117 -2.608607 1.757812 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=104) 0 -0.467444 -3.572951 0.935618 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=104) 0 0.047416 -3.878629 0.033766 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=104) 0 -3.460561 -2.724393 -1.194159 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=104) 0 -3.195017 -2.710626 -2.391543 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=105) 0 -3.469568 -1.636106 -0.424688 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=105) 0 -3.752682 -1.747947 0.543460 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=105) 0 -3.122873 -0.276943 -0.835245 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=105) 0 -2.416938 -0.315618 -1.667825 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=105) 0 -4.389142 0.465239 -1.285400 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=105) 0 -5.128218 0.400262 -0.485420 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=105) 0 -4.136743 1.518117 -1.408935 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=105) 0 -5.030348 -0.009341 -2.577984 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=105) 0 -4.751335 0.655550 -3.787300 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=105) 0 -4.040931 1.469898 -3.803314 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=105) 0 -5.401914 0.268239 -4.972410 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=105) 0 -5.193096 0.783258 -5.899962 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=105) 0 -6.316732 -0.799443 -4.956334 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=105) 0 -6.812571 -1.095983 -5.869097 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=105) 0 -6.580388 -1.482487 -3.756531 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=105) 0 -7.280378 -2.304346 -3.744684 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=105) 0 -5.945002 -1.080376 -2.567974 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=105) 0 -6.151786 -1.599247 -1.644281 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=105) 0 -2.469892 0.483543 0.335601 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=105) 0 -2.693728 0.164545 1.509961 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=106) 0 -1.685248 1.521976 0.019681 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=106) 0 -1.608878 1.781888 -0.955982 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=106) 0 -0.954682 2.360833 0.989058 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=106) 0 -1.398320 2.243997 1.975728 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=106) 0 0.531661 1.960994 1.038835 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=106) 0 0.995759 2.275871 0.101552 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=106) 0 0.992852 2.513158 1.857119 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=106) 0 0.856973 0.478843 1.249869 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=106) 0 0.536554 0.168297 2.243740 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=106) 0 0.335301 -0.123217 0.506133 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=106) 0 2.363165 0.230202 1.075987 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=106) 0 2.516302 -0.844546 1.060895 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=106) 0 2.681398 0.624109 0.108428 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=106) 0 3.184207 0.837037 2.142369 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=106) 0 3.449026 1.810563 2.053651 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=106) 0 3.604350 0.258231 3.248905 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=106) 0 3.513933 -1.017035 3.461440 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=106) 0 3.495351 -1.633595 2.648520 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=106) 0 3.920125 -1.396809 4.308611 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=106) 0 4.136665 0.996258 4.169353 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=106) 0 4.373831 1.955839 3.921674 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=106) 0 4.383289 0.629106 5.083246 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=106) 0 -1.017060 3.841790 0.607785 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=106) 0 -1.233714 4.146045 -0.557031 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=107) 0 -0.691282 4.747459 1.532875 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=107) 0 -0.605644 4.395795 2.480250 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=107) 0 -0.201352 6.116271 1.264052 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=107) 0 -0.192821 6.636679 2.222441 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=107) 0 1.257834 6.031355 0.776227 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=107) 0 1.261208 5.651819 -0.245864 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=107) 0 1.706550 7.024857 0.768464 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=107) 0 2.127512 5.143001 1.632202 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=107) 0 2.166921 5.245605 2.850771 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=107) 0 2.833169 4.221120 1.039309 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=107) 0 3.537704 3.779269 1.621605 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=107) 0 2.930481 4.196227 0.031132 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=107) 0 -1.047511 7.007929 0.320776 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=107) 0 -0.498777 7.887513 -0.353302 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=108) 0 -2.358485 6.775698 0.198254 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=108) 0 -2.757036 6.003936 0.722718 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=108) 0 -3.185502 7.456641 -0.814445 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=108) 0 -4.234066 7.351726 -0.571591 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=108) 0 -2.970272 8.523521 -0.785568 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=108) 0 -2.959109 6.973675 -2.259231 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=108) 0 -3.504581 7.559445 -3.190995 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=109) 0 -2.131761 5.947935 -2.458070 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=109) 0 -1.796685 5.446439 -1.643274 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=109) 0 -1.507840 5.568871 -3.723283 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=109) 0 -1.504037 6.440852 -4.378539 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=109) 0 -0.043301 5.182774 -3.449599 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=109) 0 0.415054 5.946829 -2.822705 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=109) 0 0.004352 4.236372 -2.909088 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=109) 0 0.752655 5.076242 -4.745706 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=109) 0 0.974046 6.137660 -5.380144 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=109) 0 1.116332 3.951425 -5.155151 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=109) 0 -2.273408 4.449533 -4.439277 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=109) 0 -2.089128 3.258073 -4.181682 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=110) 0 -3.125681 4.826851 -5.391534 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=110) 0 -3.268096 5.816167 -5.558676 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=110) 0 -3.879627 3.856118 -6.203303 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=110) 0 -4.277622 3.101558 -5.526454 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=110) 0 -5.085512 4.497392 -6.895654 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=110) 0 -5.629057 3.716850 -7.424382 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=110) 0 -6.036331 5.165178 -5.902831 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=110) 0 -5.538196 5.979303 -5.375622 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=110) 0 -6.897226 5.567257 -6.431014 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=110) 0 -6.388596 4.426647 -5.186142 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=110) 0 -4.688966 5.477873 -7.824030 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=110) 0 -5.408968 5.518342 -8.480359 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=110) 0 -3.010492 3.093867 -7.213638 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=110) 0 -3.462861 2.084288 -7.753627 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=111) 0 -1.753775 3.512603 -7.414601 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=111) 0 -1.474387 4.382610 -6.982659 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=111) 0 -0.712808 2.780926 -8.144674 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=111) 0 -1.169670 2.329382 -9.025377 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=111) 0 0.335181 3.786199 -8.635186 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=111) 0 0.815237 4.275811 -7.788722 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=111) 0 1.102413 3.264520 -9.206572 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=111) 0 -0.133816 4.528650 -9.280535 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=111) 0 -0.070482 1.622428 -7.344349 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=111) 0 0.802664 0.925001 -7.863284 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=112) 0 -0.529819 1.355310 -6.114527 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=112) 0 -1.185976 2.008624 -5.704380 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=112) 0 -0.087804 0.228838 -5.274036 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=112) 0 0.781213 -0.238190 -5.735868 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=112) 0 0.382624 0.786626 -3.919061 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=112) 0 -0.421954 1.354414 -3.449835 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=112) 0 0.654833 -0.039357 -3.260350 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=112) 0 1.526870 1.607437 -4.072883 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=112) 0 1.260312 2.459494 -4.499615 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=112) 0 -1.124243 -0.913927 -5.090892 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=112) 0 -1.259672 -1.378337 -3.961775 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=113) 0 -1.872717 -1.392935 -6.116396 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=113) 0 -1.753456 -1.051407 -7.530805 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=113) 0 -0.746111 -1.236819 -7.902347 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=113) 0 -2.033737 -0.012559 -7.681504 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=113) 0 -2.766478 -1.911529 -8.282020 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=113) 0 -2.324302 -2.872883 -8.546699 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=113) 0 -3.145775 -1.406047 -9.168275 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=113) 0 -3.848579 -2.096978 -7.225224 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=113) 0 -4.518942 -2.922039 -7.463374 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=113) 0 -4.417692 -1.172799 -7.131877 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=113) 0 -3.000956 -2.329285 -5.963652 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=113) 0 -3.585336 -2.057969 -5.083009 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=113) 0 -2.566805 -3.806568 -5.805899 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=113) 0 -2.984281 -4.676485 -6.580484 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=114) 0 -1.708681 -4.115506 -4.828535 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=114) 0 -1.460512 -3.364591 -4.188176 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=114) 0 -1.141808 -5.461391 -4.608702 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=114) 0 -0.600287 -5.757186 -5.505968 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=114) 0 -0.150783 -5.389065 -3.434065 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=114) 0 0.648154 -4.691213 -3.688606 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=114) 0 -0.674554 -4.967399 -2.577910 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=114) 0 0.471335 -6.729199 -2.987876 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=114) 0 0.940979 -6.555145 -2.019649 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=114) 0 -0.304480 -7.470021 -2.809783 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=114) 0 1.552860 -7.284866 -3.937545 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=114) 0 1.940396 -6.475141 -4.558185 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=114) 0 2.385235 -7.647551 -3.332308 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=114) 0 1.108273 -8.430684 -4.850815 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=114) 0 0.245910 -8.113629 -5.436782 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=114) 0 1.926347 -8.650415 -5.542333 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=114) 0 0.779335 -9.652853 -4.085775 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=114) 0 -0.083958 -9.549829 -3.560594 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=114) 0 0.643382 -10.461079 -4.691478 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=114) 0 1.503873 -9.900768 -3.415240 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=114) 0 -2.239854 -6.494691 -4.341859 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=114) 0 -3.046485 -6.323138 -3.434501 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=115) 0 -2.246895 -7.605562 -5.073554 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=115) 0 -1.621800 -7.665777 -5.869151 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=115) 0 -3.155889 -8.728539 -4.806380 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=115) 0 -4.177921 -8.356231 -4.825560 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=115) 0 -3.004271 -9.782817 -5.915379 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=115) 0 -2.759609 -9.295064 -6.860200 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=115) 0 -2.179347 -10.450496 -5.665136 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=115) 0 -4.281147 -10.605657 -6.116597 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=115) 0 -4.028071 -11.505501 -6.680580 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=115) 0 -4.679666 -10.919194 -5.149398 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=115) 0 -5.331550 -9.812823 -6.901750 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=115) 0 -5.182599 -9.669433 -8.136000 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=115) 0 -6.339015 -9.360869 -6.313531 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=115) 0 -2.909635 -9.345484 -3.414689 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=115) 0 -1.765828 -9.611596 -3.044347 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=116) 0 -3.967547 -9.594743 -2.642147 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=116) 0 -4.893736 -9.370472 -2.992080 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=116) 0 -3.890735 -10.316449 -1.367589 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=116) 0 -2.887021 -10.222909 -0.949787 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=116) 0 -4.869917 -9.697131 -0.362966 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=116) 0 -4.472393 -8.729105 -0.063812 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=116) 0 -5.810811 -9.513570 -0.869719 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=116) 0 -5.180728 -10.533366 0.871635 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=116) 0 -4.512337 -10.286510 2.083689 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=116) 0 -3.766452 -9.507935 2.132237 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=116) 0 -4.825271 -11.038368 3.233638 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=116) 0 -4.321557 -10.840323 4.163733 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=116) 0 -5.815618 -12.040324 3.174850 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=116) 0 -6.131981 -12.768324 4.273952 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=116) 0 -5.516748 -12.611160 5.001408 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=116) 0 -6.480271 -12.295472 1.962259 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=116) 0 -7.224168 -13.075813 1.926065 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=116) 0 -6.156004 -11.551854 0.813956 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=116) 0 -6.650918 -11.780551 -0.117515 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=116) 0 -4.183107 -11.802524 -1.568541 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=116) 0 -5.099456 -12.174094 -2.307518 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=117) 0 -3.467243 -12.666713 -0.847926 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=117) 0 -2.714921 -12.308937 -0.274014 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=117) 0 -3.887089 -14.052334 -0.594567 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=117) 0 -4.971611 -14.067819 -0.511079 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=117) 0 -3.488820 -14.990659 -1.748347 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=117) 0 -2.403960 -14.994386 -1.849782 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=117) 0 -3.985401 -16.424221 -1.559400 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=117) 0 -5.074602 -16.446256 -1.517075 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=117) 0 -3.634635 -17.049782 -2.377372 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=117) 0 -3.581524 -16.843825 -0.644463 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=117) 0 -4.072827 -14.545929 -2.961345 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=117) 0 -4.555373 -13.720187 -2.749117 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=117) 0 -3.308083 -14.551348 0.733239 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=117) 0 -2.159088 -14.266182 1.068663 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=118) 0 -4.102672 -15.311660 1.482646 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=118) 0 -5.048876 -15.451790 1.138831 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=118) 0 -3.715563 -16.092266 2.657683 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=118) 0 -2.727940 -16.528442 2.501626 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=118) 0 -3.647995 -15.151430 3.871669 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=118) 0 -4.630717 -14.731305 4.062839 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=118) 0 -3.318190 -15.704266 4.750348 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=118) 0 -2.945191 -14.339349 3.681919 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=118) 0 -4.729521 -17.249708 2.817717 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=118) 0 -4.973386 -17.993641 1.861065 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=119) 0 -5.360636 -17.374073 3.988339 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=119) 0 -5.028704 -16.788960 4.739172 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=119) 0 -6.745901 -17.839532 4.104547 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=119) 0 -6.950678 -18.614094 3.367110 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=119) 0 -6.898657 -18.272954 5.089491 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=119) 0 -7.729182 -16.679268 3.880521 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=119) 0 -7.531783 -15.878740 2.963468 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=120) 0 -8.784972 -16.565678 4.695196 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=120) 0 -8.886495 -17.264618 5.426790 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=120) 0 -9.738848 -15.430915 4.691116 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=120) 0 -9.220948 -14.536984 4.338426 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=120) 0 -10.916409 -15.731179 3.744629 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=120) 0 -11.341903 -16.701852 3.989524 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=120) 0 -11.698707 -14.988337 3.898982 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=120) 0 -10.520565 -15.685734 2.264595 L H-H1 57 0.0000 H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=120) 0 -10.050148 -14.724548 2.050707 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=120) 0 -9.821434 -16.488693 2.036128 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=120) 0 -10.280080 -15.034705 6.072164 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=120) 0 -11.096479 -14.121356 6.148769 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=121) 0 -9.861086 -15.697199 7.146135 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=121) 0 -9.142957 -16.404403 7.035391 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=121) 0 -10.251794 -15.350038 8.513266 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=121) 0 -11.325155 -15.175301 8.515533 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=121) 0 -9.948993 -16.532340 9.454293 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=121) 0 -9.981645 -17.467619 8.893328 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=121) 0 -8.954318 -16.417907 9.888575 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=121) 0 -11.008068 -16.601867 10.558772 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=121) 0 -11.027489 -15.649829 11.082363 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=121) 0 -11.979696 -16.767031 10.094163 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=121) 0 -10.782314 -17.697906 11.593456 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=121) 0 -10.184097 -18.751990 11.273127 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=121) 0 -11.235547 -17.511186 12.747165 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=121) 0 -9.575394 -14.048613 8.977385 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=121) 0 -8.567670 -13.627442 8.408001 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=122) 0 -10.085202 -13.404005 10.026092 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=122) 0 -10.964163 -13.730644 10.424954 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=122) 0 -9.543720 -12.135970 10.508163 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=122) 0 -9.665803 -11.406572 9.710341 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=122) 0 -10.376298 -11.678014 11.697926 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=122) 0 -10.316841 -12.409893 12.503950 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=122) 0 -10.013562 -10.714691 12.055085 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=122) 0 -11.402654 -11.580069 11.357460 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=122) 0 -8.045448 -12.177674 10.850982 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=122) 0 -7.341080 -11.219254 10.551705 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=123) 0 -7.521377 -13.276029 11.397924 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=123) 0 -8.159256 -13.998815 11.713744 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=123) 0 -6.074814 -13.445352 11.591384 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=123) 0 -5.674954 -12.476944 11.891912 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=123) 0 -5.764085 -14.388221 12.760847 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=123) 0 -4.719056 -14.247160 13.042726 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=123) 0 -6.373613 -14.107986 13.621865 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=123) 0 -5.985252 -15.863012 12.439808 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=123) 0 -7.147626 -16.328511 12.516867 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=123) 0 -4.993071 -16.589119 12.196626 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=123) 0 -5.321764 -13.825121 10.303210 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=123) 0 -4.150374 -13.486882 10.186421 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=124) 0 -5.972502 -14.410269 9.290263 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=124) 0 -6.967675 -14.569430 9.386320 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=124) 0 -5.369804 -14.575241 7.953741 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=124) 0 -4.383523 -15.026140 8.065435 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=124) 0 -6.222856 -15.476898 7.045198 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=124) 0 -7.148969 -14.964342 6.790893 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=124) 0 -5.677204 -15.619945 6.113866 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=124) 0 -6.554584 -16.855754 7.606971 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=124) 0 -5.733908 -17.429543 8.352571 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=124) 0 -7.610704 -17.407165 7.222996 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=124) 0 -5.209717 -13.219319 7.246550 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=124) 0 -4.260343 -12.996242 6.489709 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=125) 0 -6.152819 -12.307692 7.486864 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=125) 0 -6.949939 -12.620336 8.037102 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=125) 0 -6.143243 -10.912682 7.038459 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=125) 0 -5.869318 -10.859794 5.987197 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=125) 0 -7.575747 -10.342143 7.191079 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=125) 0 -7.948031 -10.604292 8.179508 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=125) 0 -7.594749 -8.809693 7.087443 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=125) 0 -7.087482 -8.366607 7.944049 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=125) 0 -7.097337 -8.494994 6.175075 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=125) 0 -8.618642 -8.442397 7.079039 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=125) 0 -8.522875 -10.976303 6.143715 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=125) 0 -8.326518 -10.541212 5.162608 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=125) 0 -8.331669 -12.047361 6.074176 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=125) 0 -10.010983 -10.814855 6.483094 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=125) 0 -10.297254 -9.764763 6.489991 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=125) 0 -10.605314 -11.337171 5.734477 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=125) 0 -10.221306 -11.254399 7.457759 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=125) 0 -5.078204 -10.127283 7.814364 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=125) 0 -4.208213 -9.488341 7.218739 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=126) 0 -5.105110 -10.207704 9.146045 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=126) 0 -5.851017 -10.748684 9.575372 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=126) 0 -4.250716 -9.399473 10.020085 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=126) 0 -4.210732 -8.396470 9.596136 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=126) 0 -4.878087 -9.247666 11.421023 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=126) 0 -5.150909 -10.225774 11.814818 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=126) 0 -3.933214 -8.569314 12.414546 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=126) 0 -3.573615 -7.631973 11.992866 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=126) 0 -4.453595 -8.366236 13.351854 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=126) 0 -3.092947 -9.227573 12.631305 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=126) 0 -6.127159 -8.356502 11.323842 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=126) 0 -6.596998 -8.261636 12.300692 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=126) 0 -5.847430 -7.368952 10.965503 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=126) 0 -6.853784 -8.779605 10.633671 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=126) 0 -2.800574 -9.886269 10.026954 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=126) 0 -1.924459 -9.044258 9.866048 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=127) 0 -2.499133 -11.190661 10.083775 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=127) 0 -3.244403 -11.874646 10.181163 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=127) 0 -1.111555 -11.685374 9.991359 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=127) 0 -0.534526 -11.304948 10.836475 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=127) 0 -1.075598 -13.223961 10.002733 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=127) 0 -1.785321 -13.607130 9.274648 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=127) 0 -0.083091 -13.554681 9.699181 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=127) 0 -1.357264 -13.875372 11.337950 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=127) 0 -1.446846 -13.239149 12.378814 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=127) 0 -1.424818 -15.181466 11.358894 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=127) 0 -1.722174 -15.644413 12.209480 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=127) 0 -1.380387 -15.698869 10.492776 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=127) 0 -0.416336 -11.211072 8.707557 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=127) 0 0.761455 -10.862617 8.733512 L N-N--0.415700(PDBName=N,ResName=TRP,ResNum=128) 0 -1.146327 -11.169602 7.590592 L H-H-0.271900(PDBName=H,ResName=TRP,ResNum=128) 0 -2.106966 -11.481069 7.637973 L C-CT--0.027500(PDBName=CA,ResName=TRP,ResNum=128) 0 -0.628780 -10.708976 6.303770 L H-H1-0.112300(PDBName=HA,ResName=TRP,ResNum=128) 0 0.303007 -11.234008 6.089525 L C-CT--0.005000(PDBName=CB,ResName=TRP,ResNum=128) 0 -1.652409 -11.081682 5.230640 L H-HC-0.033900(PDBName=HB2,ResName=TRP,ResNum=128) 0 -1.952899 -12.119341 5.375927 L H-HC-0.033900(PDBName=HB3,ResName=TRP,ResNum=128) 0 -2.535416 -10.460325 5.368715 L C-C*--0.141500(PDBName=CG,ResName=TRP,ResNum=128) 0 -1.190052 -10.945328 3.817766 L C-CW--0.163800(PDBName=CD1,ResName=TRP,ResNum=128) 0 -0.687797 -11.944701 3.061375 L H-H4-0.206200(PDBName=HD1,ResName=TRP,ResNum=128) 0 -0.546106 -12.966634 3.392838 L N-NA--0.341800(PDBName=NE1,ResName=TRP,ResNum=128) 0 -0.372890 -11.466657 1.805814 L H-H-0.341200(PDBName=HE1,ResName=TRP,ResNum=128) 0 0.092721 -12.039444 1.105117 L C-CN-0.138000(PDBName=CE2,ResName=TRP,ResNum=128) 0 -0.681039 -10.130515 1.679409 L C-CA--0.260100(PDBName=CZ2,ResName=TRP,ResNum=128) 0 -0.570284 -9.214235 0.624508 L H-HA-0.157200(PDBName=HZ2,ResName=TRP,ResNum=128) 0 -0.174799 -9.527422 -0.332118 L C-CA--0.113400(PDBName=CH2,ResName=TRP,ResNum=128) 0 -0.967741 -7.883508 0.835557 L H-HA-0.141700(PDBName=HH2,ResName=TRP,ResNum=128) 0 -0.878400 -7.162597 0.034124 L C-CA--0.197200(PDBName=CZ3,ResName=TRP,ResNum=128) 0 -1.462139 -7.490493 2.094167 L H-HA-0.144700(PDBName=HZ3,ResName=TRP,ResNum=128) 0 -1.753332 -6.465422 2.264910 L C-CA--0.238700(PDBName=CE3,ResName=TRP,ResNum=128) 0 -1.568127 -8.416851 3.145767 L H-HA-0.170000(PDBName=HE3,ResName=TRP,ResNum=128) 0 -1.957477 -8.102966 4.101669 L C-CB-0.124300(PDBName=CD2,ResName=TRP,ResNum=128) 0 -1.185923 -9.762375 2.963532 L C-C-0.597300(PDBName=C,ResName=TRP,ResNum=128) 0 -0.329071 -9.200866 6.314581 L O-O--0.567900(PDBName=O,ResName=TRP,ResNum=128) 0 0.705714 -8.771639 5.803739 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=129) 0 -1.186287 -8.394683 6.951919 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=129) 0 -2.022854 -8.813926 7.344573 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=129) 0 -0.976628 -6.953770 7.148500 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=129) 0 -0.692946 -6.508938 6.194319 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=129) 0 -2.303350 -6.325939 7.621622 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=129) 0 -2.689437 -6.913799 8.454367 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=129) 0 -2.112917 -5.319221 7.995438 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=129) 0 -3.372683 -6.250228 6.512157 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=129) 0 -3.383606 -7.177652 5.941124 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=129) 0 -4.766393 -6.049610 7.108636 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=129) 0 -4.814773 -5.122756 7.673715 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=129) 0 -5.508666 -6.024108 6.312108 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=129) 0 -5.002182 -6.883847 7.768193 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=129) 0 -3.077652 -5.090958 5.557207 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=129) 0 -3.050239 -4.149851 6.104108 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=129) 0 -2.124262 -5.247396 5.054622 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=129) 0 -3.854921 -5.031094 4.800225 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=129) 0 0.178359 -6.663879 8.126778 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=129) 0 0.998552 -5.777554 7.865434 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=130) 0 0.323605 -7.461878 9.192781 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=130) 0 -0.397764 -8.165805 9.332851 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=130) 0 1.406642 -7.408087 10.202366 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=130) 0 1.542847 -6.369189 10.507892 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=130) 0 0.999887 -8.220571 11.456275 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=130) 0 0.915524 -9.265654 11.152873 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=130) 0 1.795894 -8.168494 12.200824 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=130) 0 -0.327836 -7.824857 12.137526 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=130) 0 -1.003924 -7.379887 11.410738 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=130) 0 -0.783913 -8.745526 12.503182 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=130) 0 -0.234287 -6.854577 13.321195 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=130) 0 0.427691 -7.262463 14.087210 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=130) 0 0.146330 -5.893537 12.973739 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=130) 0 -1.655632 -6.698131 13.887936 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=130) 0 -2.310636 -6.322376 13.099257 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=130) 0 -2.022936 -7.683770 14.189614 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=130) 0 -1.735615 -5.789155 15.048298 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=130) 0 -1.171133 -6.127936 15.820970 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=130) 0 -1.400405 -4.863246 14.822095 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=130) 0 -2.702673 -5.734905 15.383246 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=130) 0 2.778332 -7.870290 9.654846 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=130) 0 3.674650 -8.195895 10.430541 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=131) 0 2.941938 -7.916018 8.323862 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=131) 0 2.109484 -7.758239 7.775903 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=131) 0 4.192079 -8.203499 7.586185 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=131) 0 5.015825 -8.274804 8.300050 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=131) 0 4.064935 -9.560257 6.866725 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=131) 0 3.163776 -9.565389 6.255219 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=131) 0 4.925317 -9.724123 6.216406 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=131) 0 4.013692 -10.700003 7.885186 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=131) 0 4.983103 -10.754050 8.376255 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=131) 0 3.252277 -10.485222 8.631007 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=131) 0 3.718824 -12.065692 7.264079 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=131) 0 2.977939 -11.957994 6.471098 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=131) 0 4.639094 -12.463617 6.834478 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=131) 0 3.160952 -13.041433 8.308703 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=131) 0 2.153785 -12.717434 8.581828 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=131) 0 3.082828 -14.034093 7.855327 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=131) 0 3.997572 -13.112813 9.528913 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=131) 0 4.091756 -12.211226 9.990177 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=131) 0 3.608464 -13.772122 10.196516 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=131) 0 4.938602 -13.432842 9.316694 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=131) 0 4.598611 -7.094551 6.604794 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=131) 0 5.611143 -7.235204 5.917913 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=132) 0 3.826716 -6.004281 6.524670 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=132) 0 3.014356 -5.976203 7.122599 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=132) 0 4.096476 -4.867018 5.620333 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=132) 0 5.177115 -4.767923 5.499110 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=132) 0 3.500760 -5.174290 4.234164 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=132) 0 3.763825 -4.366260 3.551711 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=132) 0 3.965585 -6.084451 3.856612 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=132) 0 1.971574 -5.349943 4.224518 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=132) 0 1.668729 -6.111037 4.944299 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=132) 0 1.499872 -4.404966 4.493832 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=132) 0 1.476527 -5.759290 2.836135 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=132) 0 0.388752 -5.702557 2.828618 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=132) 0 1.852709 -5.040515 2.107458 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=132) 0 1.888810 -7.131762 2.484811 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=132) 0 1.638019 -7.884773 3.111701 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=132) 0 2.536909 -7.514964 1.402717 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=132) 0 2.913689 -6.697440 0.472935 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=132) 0 2.780671 -5.688659 0.549829 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=132) 0 3.466066 -7.041580 -0.295018 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=132) 0 2.831010 -8.767954 1.240648 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=132) 0 2.584787 -9.405786 1.990577 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=132) 0 3.327870 -9.089164 0.423483 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=132) 0 3.630495 -3.500341 6.124307 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=132) 0 4.138502 -2.479555 5.675479 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=133) 0 2.639410 -3.455217 7.010869 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=133) 0 2.266743 -4.321503 7.363664 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=133) 0 2.101919 -2.195394 7.553436 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=133) 0 2.051850 -1.467013 6.742925 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=133) 0 0.677623 -2.373044 8.082754 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=133) 0 0.337526 -1.427348 8.504276 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=133) 0 -0.283242 -2.789071 6.968479 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=133) 0 -0.037913 -3.777510 6.584918 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=133) 0 -1.303082 -2.796796 7.348301 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=133) 0 -0.209934 -2.074364 6.153023 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=133) 0 0.634618 -3.363905 9.077271 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=133) 0 0.804314 -4.221120 8.658652 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=133) 0 3.024102 -1.591508 8.615338 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=133) 0 3.798942 -2.302950 9.255525 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=134) 0 2.965505 -0.269690 8.782248 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=134) 0 2.257840 0.241059 8.275170 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=134) 0 4.107523 0.520327 9.253219 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=134) 0 3.748968 1.390863 9.802339 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=134) 0 4.729615 -0.077508 9.919685 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=134) 0 4.957890 1.003706 8.065346 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=134) 0 4.533585 0.844189 6.913605 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=135) 0 6.132075 1.617903 8.297393 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=135) 0 6.802510 1.775649 9.579710 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=135) 0 6.775891 0.854621 10.162999 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=135) 0 6.338150 2.592578 10.134072 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=135) 0 8.251345 2.135032 9.244100 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=135) 0 8.836811 1.226662 9.098980 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=135) 0 8.703334 2.759646 10.014672 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=135) 0 8.121989 2.878937 7.915592 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=135) 0 9.038608 2.823610 7.326857 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=135) 0 7.862928 3.916561 8.112917 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=135) 0 6.941612 2.190430 7.224679 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=135) 0 6.355803 2.937666 6.692545 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=135) 0 7.398214 1.116515 6.233215 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=135) 0 7.878333 0.057286 6.639122 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=136) 0 7.269268 1.394449 4.931437 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=136) 0 6.834647 2.274045 4.666520 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=136) 0 7.635860 0.434790 3.882982 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=136) 0 7.081558 -0.492355 4.043660 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=136) 0 7.255814 0.997976 2.512917 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=136) 0 7.746651 1.957549 2.357139 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=136) 0 7.573886 0.300440 1.736106 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=136) 0 6.180498 1.119813 2.433392 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=136) 0 9.129835 0.082325 3.905232 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=136) 0 9.489870 -1.052233 3.599264 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=137) 0 9.989844 1.030278 4.294968 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=137) 0 9.620292 1.929427 4.555476 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=137) 0 11.371981 0.734372 4.638948 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=137) 0 11.707287 -0.097006 4.028011 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=137) 0 12.274322 1.919925 4.289235 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=137) 0 12.096041 2.748034 4.971984 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=137) 0 13.309033 1.600099 4.384815 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=137) 0 12.101288 2.241156 3.262676 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=137) 0 11.456151 0.310482 6.113636 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=137) 0 11.432040 1.153290 7.014490 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=138) 0 11.549645 -0.995795 6.354645 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=138) 0 11.525420 -1.634430 5.563076 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=138) 0 11.702323 -1.588641 7.689456 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=138) 0 10.841539 -1.318072 8.295614 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=138) 0 11.780447 -3.117098 7.578677 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=138) 0 12.702262 -3.381574 7.064962 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=138) 0 11.739690 -3.826009 8.930985 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=138) 0 10.820763 -3.570324 9.457687 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=138) 0 11.774064 -4.904816 8.777125 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=138) 0 12.599992 -3.537309 9.535127 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=138) 0 10.689203 -3.606270 6.832783 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=138) 0 10.968965 -4.466126 6.457489 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=138) 0 12.976422 -1.072967 8.354090 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=138) 0 14.043863 -1.108020 7.743895 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=139) 0 12.904858 -0.598341 9.596256 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=139) 0 12.011228 -0.580638 10.073103 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=139) 0 14.086448 -0.022987 10.261550 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=139) 0 14.635292 0.555533 9.519613 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=139) 0 13.697741 0.964375 11.365556 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=139) 0 13.252612 0.422230 12.198981 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=139) 0 14.907522 1.760125 11.852387 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=139) 0 15.374909 2.281450 11.016259 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=139) 0 14.588486 2.490915 12.591429 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=139) 0 15.633963 1.096077 12.319622 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=139) 0 12.757836 1.895003 10.864405 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=139) 0 11.927979 1.735449 11.356071 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=139) 0 15.023212 -1.121256 10.777771 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=139) 0 14.602480 -2.020582 11.506227 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=140) 0 16.300515 -1.046189 10.397077 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=140) 0 16.550293 -0.271227 9.790520 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=140) 0 17.336127 -2.057991 10.616131 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=140) 0 16.896633 -2.945191 11.069542 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=140) 0 17.936776 -2.456756 9.253860 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=140) 0 18.334713 -1.557210 8.787576 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=140) 0 18.775222 -3.132922 9.431755 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=140) 0 16.981310 -3.116795 8.247253 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=140) 0 16.111348 -2.488504 8.086757 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=140) 0 17.720250 -3.258880 6.916839 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=140) 0 18.672390 -3.759853 7.074390 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=140) 0 17.124446 -3.831143 6.209230 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=140) 0 17.906846 -2.268466 6.503584 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=140) 0 16.521400 -4.493488 8.719178 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=140) 0 15.916917 -4.392001 9.620353 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=140) 0 15.912011 -4.967240 7.951266 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=140) 0 17.386939 -5.116014 8.926926 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=140) 0 18.452410 -1.509308 11.525852 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=140) 0 19.196819 -0.616589 11.101087 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=141) 0 18.629706 -2.026300 12.753237 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=141) 0 17.707569 -2.896523 13.470547 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=141) 0 17.646061 -3.882353 13.007260 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=141) 0 16.722956 -2.430346 13.498838 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=141) 0 18.257085 -3.015335 14.893655 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=141) 0 18.885835 -3.901305 14.975015 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=141) 0 17.457923 -3.041737 15.635201 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=141) 0 19.133405 -1.777705 15.047656 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=141) 0 19.907671 -1.927738 15.800607 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=141) 0 18.511781 -0.918407 15.305137 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=141) 0 19.706825 -1.591984 13.640626 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=141) 0 19.919431 -0.535476 13.488242 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=141) 0 21.020001 -2.368138 13.436168 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=141) 0 22.060322 -1.920882 13.925376 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=142) 0 20.990240 -3.512079 12.741437 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=142) 0 20.103305 -3.819542 12.370533 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=142) 0 22.096924 -4.473251 12.663696 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=142) 0 23.036835 -3.932888 12.782280 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=142) 0 21.975651 -5.450298 13.839500 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=142) 0 22.930528 -5.963224 13.964121 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=142) 0 21.772376 -4.904122 14.762658 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=142) 0 20.882727 -6.487240 13.595024 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=142) 0 21.210294 -7.558673 13.039471 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=142) 0 19.709975 -6.254791 13.959522 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=142) 0 22.171149 -5.247344 11.325741 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=142) 0 21.218800 -5.290357 10.540528 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=143) 0 23.321878 -5.880810 11.073766 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=143) 0 24.064630 -5.831560 11.766009 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=143) 0 23.621136 -6.597774 9.832433 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=143) 0 23.372910 -5.960638 8.984879 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=143) 0 24.693169 -6.791472 9.810065 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=143) 0 22.908601 -7.943506 9.644518 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=143) 0 22.752691 -8.372383 8.497627 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=144) 0 22.451051 -8.604603 10.712729 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=144) 0 22.505579 -8.161517 11.623155 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=144) 0 21.715273 -9.868832 10.624037 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=144) 0 22.183492 -10.492348 9.867157 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=144) 0 21.813004 -10.644054 11.940681 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=144) 0 21.298758 -10.113400 12.740785 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=144) 0 21.349747 -11.624049 11.818982 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=144) 0 22.859089 -10.786723 12.205320 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=144) 0 20.257177 -9.621086 10.217622 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=144) 0 19.712958 -10.338103 9.373594 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=145) 0 19.634668 -8.567155 10.754172 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=145) 0 20.114256 -8.042177 11.484322 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=145) 0 18.330318 -8.102183 10.287426 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=145) 0 17.609784 -8.916043 10.386079 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=145) 0 17.876081 -6.944549 11.184707 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=145) 0 18.580316 -6.113605 11.121212 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=145) 0 16.887099 -6.605591 10.875664 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=145) 0 17.818203 -7.281153 12.220305 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=145) 0 18.387485 -7.706850 8.797796 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=145) 0 17.522725 -8.108565 8.017464 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=146) 0 19.446441 -6.998514 8.382238 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=146) 0 20.105188 -6.671269 9.079413 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=146) 0 19.648989 -6.585226 6.992925 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=146) 0 18.801958 -5.967851 6.693882 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=146) 0 20.921432 -5.731495 6.922940 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=146) 0 21.788503 -6.320176 7.216691 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=146) 0 21.075708 -5.381630 5.903028 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=146) 0 20.827109 -4.872960 7.588240 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=146) 0 19.698475 -7.768797 6.008115 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=146) 0 18.947904 -7.786743 5.032374 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=147) 0 20.512798 -8.796103 6.272371 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=147) 0 21.116083 -8.746988 7.085177 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=147) 0 20.623377 -9.944005 5.356453 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=147) 0 20.799675 -9.555869 4.352549 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=147) 0 21.824739 -10.826838 5.708232 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=147) 0 21.900018 -11.616759 4.959781 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=147) 0 22.731963 -10.225671 5.667365 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=147) 0 21.714298 -11.460419 7.095719 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=147) 0 21.942623 -10.699153 7.831721 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=147) 0 20.704774 -11.822985 7.278375 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=147) 0 22.668065 -12.631860 7.254257 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=147) 0 22.187932 -13.787343 7.237970 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=147) 0 23.887806 -12.402074 7.415583 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=147) 0 19.351343 -10.803209 5.279298 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=147) 0 19.122211 -11.455768 4.261408 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=148) 0 18.515993 -10.814418 6.325072 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=148) 0 18.775906 -10.290417 7.153602 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=148) 0 17.253846 -11.564407 6.330057 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=148) 0 17.381170 -12.450399 5.709034 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=148) 0 16.926805 -12.058527 7.735556 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=148) 0 17.825883 -12.470062 8.195637 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=148) 0 16.555456 -11.231617 8.343165 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=148) 0 15.951568 -13.079249 7.639669 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=148) 0 16.429771 -13.941014 7.629870 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=148) 0 16.095620 -10.756791 5.736787 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=148) 0 15.127060 -11.335042 5.233757 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=149) 0 16.198637 -9.424224 5.707277 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=149) 0 16.958245 -8.981361 6.216325 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=149) 0 15.367075 -8.583259 4.846797 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=149) 0 14.326102 -8.881132 4.975948 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=149) 0 15.490010 -7.119310 5.298185 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=149) 0 15.283930 -7.098173 6.369676 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=149) 0 16.507990 -6.756741 5.153800 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=149) 0 14.493611 -6.186599 4.581176 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=149) 0 13.585423 -6.738128 4.337109 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=149) 0 14.113513 -5.041882 5.511483 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=149) 0 14.979766 -4.427021 5.735536 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=149) 0 13.345720 -4.436752 5.035197 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=149) 0 13.700975 -5.441175 6.437550 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=149) 0 15.069495 -5.575590 3.300595 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=149) 0 15.276052 -6.346978 2.563532 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=149) 0 14.344701 -4.887893 2.866443 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=149) 0 15.986153 -5.029714 3.519419 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=149) 0 15.730121 -8.816865 3.374427 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=149) 0 14.840873 -9.118257 2.577756 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=150) 0 17.024980 -8.810657 3.035873 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=150) 0 17.701511 -8.530362 3.741703 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=150) 0 17.523756 -9.164886 1.691943 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=150) 0 17.064906 -8.491094 0.976050 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=150) 0 19.052907 -8.969674 1.609796 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=150) 0 19.522265 -9.445206 2.468870 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=150) 0 19.678579 -9.562938 0.341644 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=150) 0 19.134163 -9.219737 -0.537363 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=150) 0 20.723804 -9.262761 0.263072 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=150) 0 19.642841 -10.651646 0.379590 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=150) 0 19.383377 -7.473084 1.635479 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=150) 0 18.991268 -7.019272 2.541550 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=150) 0 20.464218 -7.327576 1.620375 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=150) 0 18.941080 -6.975427 0.773262 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=150) 0 17.106735 -10.578573 1.271595 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=150) 0 16.812662 -10.811613 0.101846 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=151) 0 17.001959 -11.518851 2.210703 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=151) 0 17.384676 -11.317476 3.127155 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=151) 0 16.536080 -12.880020 1.930591 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=151) 0 17.081892 -13.239102 1.058145 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=151) 0 16.867303 -13.772648 3.137826 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=151) 0 17.808655 -13.451548 3.565397 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=151) 0 16.105503 -13.642775 3.904415 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=151) 0 16.996712 -15.262160 2.802733 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=151) 0 17.229401 -15.804684 3.718996 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=151) 0 16.044711 -15.634974 2.422440 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=151) 0 18.109173 -15.518148 1.784456 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=151) 0 19.265343 -15.098645 2.022645 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=151) 0 17.817541 -16.104243 0.714038 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=151) 0 15.034220 -12.972075 1.608325 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=151) 0 14.610298 -13.932575 0.963155 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=152) 0 14.214196 -12.007555 2.040563 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=152) 0 14.633163 -11.207689 2.500270 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=152) 0 12.743345 -12.137856 2.058146 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=152) 0 12.535612 -13.149178 2.400078 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=152) 0 12.128524 -11.227758 3.124978 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=152) 0 11.058868 -11.431970 3.195622 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=152) 0 12.579855 -11.465872 4.087730 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=152) 0 12.314382 -9.849843 2.859235 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=152) 0 13.252888 -9.663984 2.646180 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=152) 0 12.038434 -12.010648 0.691462 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=152) 0 10.820147 -12.184758 0.595548 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=153) 0 12.798591 -11.764084 -0.375203 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=153) 0 13.792788 -11.653189 -0.221638 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=153) 0 12.360115 -11.712703 -1.776326 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=153) 0 11.617156 -12.483148 -1.969881 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=153) 0 11.736191 -10.335638 -2.018407 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=153) 0 10.773307 -10.283340 -1.507940 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=153) 0 12.404537 -9.602827 -1.571786 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=153) 0 11.569285 -9.969159 -3.374243 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=153) 0 12.110970 -9.155414 -3.467435 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=153) 0 13.571620 -11.948052 -2.685154 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=153) 0 14.707385 -11.704693 -2.274434 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=154) 0 13.373940 -12.378652 -3.932567 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=154) 0 12.426644 -12.573068 -4.242034 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=154) 0 14.471811 -12.542747 -4.910955 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=154) 0 15.252251 -13.150062 -4.458294 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=154) 0 13.966736 -13.283460 -6.151308 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=154) 0 13.157993 -12.712227 -6.606457 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=154) 0 14.775946 -13.368058 -6.878175 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=154) 0 13.488329 -14.692328 -5.795449 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=154) 0 14.347673 -15.289367 -5.487321 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=154) 0 12.780955 -14.661520 -4.965245 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=154) 0 12.796371 -15.328117 -6.991153 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=154) 0 13.431162 -16.139241 -7.704396 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=154) 0 11.595361 -15.041373 -7.212023 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=154) 0 15.127337 -11.212528 -5.325652 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=154) 0 16.178113 -11.210907 -5.966698 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=155) 0 14.505736 -10.101226 -4.922810 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=155) 0 13.632180 -10.251472 -4.439336 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=155) 0 14.923332 -8.702376 -5.062515 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=155) 0 15.994939 -8.644667 -5.244017 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=155) 0 14.162624 -8.056156 -6.234869 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=155) 0 13.093127 -8.188617 -6.069074 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=155) 0 14.431418 -6.552576 -6.331068 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=155) 0 15.495204 -6.367626 -6.481630 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=155) 0 13.845811 -6.152674 -7.151853 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=155) 0 14.100443 -6.039946 -5.429616 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=155) 0 14.517261 -8.702855 -7.581865 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=155) 0 14.293078 -9.768415 -7.559507 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=155) 0 13.907504 -8.267142 -8.371405 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=155) 0 15.574258 -8.565952 -7.803430 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=155) 0 14.579380 -7.959304 -3.765602 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=155) 0 13.460524 -8.108185 -3.274026 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=156) 0 15.484655 -7.133284 -3.240051 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=156) 0 16.375236 -7.041677 -3.721725 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=156) 0 15.299647 -6.302013 -2.042319 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=156) 0 14.248978 -6.043920 -1.924023 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=156) 0 15.728354 -7.122964 -0.823265 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=156) 0 16.779914 -7.392579 -0.922441 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=156) 0 15.583874 -6.539359 0.086460 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=156) 0 15.127318 -8.031276 -0.756754 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=156) 0 16.101823 -4.987104 -2.140651 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=156) 0 16.985590 -4.862015 -2.986971 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=157) 0 15.841820 -3.998876 -1.278318 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=157) 0 15.088742 -4.123448 -0.603580 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=157) 0 16.602554 -2.728786 -1.249434 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=157) 0 17.576488 -2.890867 -1.707002 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=157) 0 15.883442 -1.614719 -2.048215 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=157) 0 14.978401 -1.326102 -1.514732 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=157) 0 16.775927 -0.379983 -2.214751 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=157) 0 17.680664 -0.643572 -2.762110 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=157) 0 16.238646 0.392110 -2.765511 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=157) 0 17.051634 0.019831 -1.241965 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=157) 0 15.491975 -2.025871 -3.474471 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=157) 0 14.787725 -2.850483 -3.437827 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=157) 0 15.005383 -1.194219 -3.984393 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=157) 0 16.373500 -2.334449 -4.034240 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=157) 0 16.849572 -2.274224 0.191647 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=157) 0 15.951583 -2.360854 1.023325 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=158) 0 18.038739 -1.747166 0.502370 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=158) 0 18.748740 -1.693848 -0.223266 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=158) 0 18.325232 -1.093201 1.791306 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=158) 0 17.385439 -0.979099 2.317789 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=158) 0 19.227597 -1.956190 2.707326 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=158) 0 20.168420 -2.143644 2.191980 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=158) 0 19.532154 -1.209565 4.025286 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=158) 0 18.608258 -0.988749 4.559153 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=158) 0 20.188927 -1.797850 4.662891 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=158) 0 20.058486 -0.275579 3.829915 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=158) 0 18.545319 -3.313274 3.006803 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=158) 0 17.612832 -3.132771 3.542836 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=158) 0 18.302106 -3.813454 2.069732 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=158) 0 19.395901 -4.296715 3.817075 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=158) 0 18.837431 -5.221852 3.949800 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=158) 0 20.326628 -4.508874 3.289622 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=158) 0 19.615967 -3.895006 4.802666 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=158) 0 18.877794 0.319469 1.569261 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=158) 0 19.785330 0.520404 0.763389 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=159) 0 18.332432 1.294832 2.296086 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=159) 0 17.565675 1.042487 2.911459 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=159) 0 18.834154 2.665057 2.388240 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=159) 0 19.399047 2.915164 1.491894 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=159) 0 18.001268 3.360493 2.466112 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=159) 0 19.726668 2.849804 3.612733 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=159) 0 19.385459 2.415763 4.711466 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=160) 0 20.861242 3.508058 3.420015 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=160) 0 21.029727 3.903323 2.501131 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=160) 0 21.928759 3.695301 4.394802 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=160) 0 21.673900 3.216067 5.340446 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=160) 0 23.212184 3.047358 3.850846 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=160) 0 23.471064 3.504921 2.894345 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=160) 0 24.030667 3.257459 4.536191 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=160) 0 23.116631 1.547254 3.658153 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=160) 0 22.575619 1.021640 2.470946 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=160) 0 22.218703 1.686058 1.697458 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=160) 0 22.481267 -0.367861 2.294948 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=160) 0 22.029838 -0.759507 1.400028 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=160) 0 22.948252 -1.241632 3.289157 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=160) 0 22.874352 -2.311183 3.149430 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=160) 0 23.497399 -0.717898 4.470650 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=160) 0 23.858404 -1.384341 5.234575 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=160) 0 23.573534 0.672517 4.660227 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=160) 0 23.987420 1.069534 5.574137 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=160) 0 22.086127 5.194556 4.637739 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=160) 0 22.752523 5.888364 3.869933 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=161) 0 21.429141 5.695650 5.683470 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=161) 0 20.943383 5.053707 6.302922 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=161) 0 21.352824 7.119780 5.997022 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=161) 0 22.150331 7.648515 5.478762 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=161) 0 20.025013 7.700121 5.502364 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=161) 0 19.195607 7.196470 6.001987 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=161) 0 19.999100 8.752216 5.786274 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=161) 0 19.847687 7.601349 4.002478 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=161) 0 20.603413 8.433138 3.156506 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=161) 0 21.281289 9.159400 3.579805 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=161) 0 20.513564 8.290806 1.762905 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=161) 0 21.130467 8.901479 1.117631 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=161) 0 19.642767 7.334253 1.216329 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=161) 0 19.583268 7.215279 0.148126 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=161) 0 18.871321 6.514016 2.057671 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=161) 0 18.213005 5.772742 1.632913 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=161) 0 18.979764 6.640214 3.452253 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=161) 0 18.409172 5.991368 4.100356 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=161) 0 21.527123 7.344824 7.494685 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=161) 0 20.595718 7.160529 8.278120 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=162) 0 22.729450 7.764143 7.896454 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=162) 0 23.432431 7.935670 7.176582 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=162) 0 23.059240 8.091972 9.289611 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=162) 0 22.864443 7.223734 9.917802 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=162) 0 24.559899 8.401174 9.354425 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=162) 0 25.114356 7.524084 9.014425 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=162) 0 24.784594 9.233028 8.683654 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=162) 0 25.018838 8.762677 10.771376 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=162) 0 24.532216 9.691746 11.061686 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=162) 0 24.719045 7.982108 11.472527 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=162) 0 26.545183 8.925978 10.820309 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=162) 0 26.989740 7.952675 11.027478 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=162) 0 26.921129 9.261574 9.854004 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=162) 0 26.991833 9.928768 11.887963 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=162) 0 26.611048 9.616964 12.865353 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=162) 0 28.084221 9.921412 11.935327 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=162) 0 26.517212 11.296031 11.568304 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=162) 0 25.508182 11.368366 11.670721 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=162) 0 26.912684 11.985808 12.200972 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=162) 0 26.732680 11.561683 10.609536 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=162) 0 22.176440 9.226198 9.828940 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=162) 0 21.819203 9.215373 11.005958 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=163) 0 21.761630 10.152852 8.966875 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=163) 0 22.131382 10.121184 8.023096 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=163) 0 20.721558 11.142348 9.230912 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=163) 0 20.505446 11.153408 10.299427 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=163) 0 21.237666 12.535455 8.855745 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=163) 0 22.278306 12.628542 9.173051 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=163) 0 21.200334 12.690168 7.777376 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=163) 0 20.408360 13.587790 9.576441 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=163) 0 19.182861 13.676794 9.351478 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=163) 0 20.967525 14.221645 10.500496 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=163) 0 19.421317 10.778616 8.495363 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=163) 0 19.258052 11.045072 7.302890 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=164) 0 18.479262 10.156452 9.203282 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=164) 0 18.647035 9.991486 10.185514 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=164) 0 17.228589 9.650138 8.613491 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=164) 0 17.485994 9.282460 7.624573 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=164) 0 16.734390 8.411908 9.386708 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=164) 0 17.527099 7.663586 9.344202 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=164) 0 16.467805 8.715047 10.857246 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=164) 0 15.733661 9.515844 10.945757 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=164) 0 16.095185 7.820736 11.352598 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=164) 0 17.395650 9.002952 11.343268 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=164) 0 15.483887 7.774769 8.778561 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=164) 0 15.621377 7.656213 7.706422 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=164) 0 15.314540 6.796818 9.230791 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=164) 0 14.614493 8.402493 8.962233 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=164) 0 16.165154 10.742291 8.384810 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=164) 0 15.246285 10.549688 7.588668 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=165) 0 16.304631 11.927359 8.986496 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=165) 0 17.051546 12.029885 9.665113 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=165) 0 15.503524 13.122236 8.655287 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=165) 0 14.494746 12.805483 8.393963 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=165) 0 15.390682 14.058742 9.875610 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=165) 0 16.276273 13.980779 10.503352 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=165) 0 15.337685 15.091325 9.528401 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=165) 0 14.130027 13.811561 10.713540 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=165) 0 14.079647 14.575606 11.492087 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=165) 0 13.254845 13.936976 10.074358 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=165) 0 14.086174 12.427221 11.362644 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=165) 0 14.456133 12.303394 12.554397 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=165) 0 13.609671 11.467722 10.713264 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=165) 0 16.014039 13.889645 7.418913 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=165) 0 15.305775 14.771053 6.913858 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=166) 0 17.205393 13.568421 6.904160 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=166) 0 17.763130 12.879620 7.394980 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=166) 0 17.772588 14.197944 5.702760 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=166) 0 17.784069 15.274474 5.873513 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=166) 0 19.226261 13.761785 5.486100 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=166) 0 19.667872 14.384142 4.706591 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=166) 0 19.791577 13.912978 6.406333 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=166) 0 19.315120 12.406337 5.085119 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=166) 0 19.214968 11.855491 5.897171 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=166) 0 16.949305 13.943979 4.431851 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=166) 0 16.210755 12.959811 4.330986 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=167) 0 17.098930 14.837524 3.446199 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=167) 0 17.657350 15.663669 3.624945 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=167) 0 16.397628 14.815702 2.154314 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=167) 0 15.369669 15.153077 2.289609 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=167) 0 17.111719 15.760297 1.169321 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=167) 0 18.175359 15.517205 1.130323 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=167) 0 16.695645 15.595104 0.173572 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=167) 0 16.957286 17.236010 1.521693 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=167) 0 17.201714 17.610451 2.692374 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=167) 0 16.552455 18.014977 0.633524 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=167) 0 16.362720 13.417072 1.534784 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=167) 0 15.290715 12.882301 1.257586 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=168) 0 17.542899 12.817771 1.376556 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=168) 0 18.365281 13.347257 1.626811 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=168) 0 17.768223 11.529755 0.723110 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=168) 0 17.344291 11.555603 -0.279941 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=168) 0 19.273989 11.325766 0.602307 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=168) 0 19.734766 11.352134 1.591859 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=168) 0 19.477871 10.357372 0.147546 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=168) 0 19.811226 12.359534 -0.202491 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=168) 0 20.766916 12.147806 -0.304644 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=168) 0 17.154753 10.347175 1.469790 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=168) 0 16.643265 9.423847 0.839475 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=169) 0 17.136314 10.385373 2.802343 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=169) 0 17.512952 11.196484 3.276183 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=169) 0 16.524927 9.338857 3.613725 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=169) 0 16.884668 8.366082 3.277660 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=169) 0 16.968231 9.560311 5.054214 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=169) 0 16.588037 10.514367 5.417902 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=169) 0 16.586954 8.750488 5.674747 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=169) 0 18.052667 9.586090 5.107545 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=169) 0 14.994267 9.347397 3.497651 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=169) 0 14.363495 8.299672 3.336728 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=170) 0 14.391548 10.541224 3.509371 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=170) 0 14.972416 11.363718 3.661976 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=170) 0 12.945587 10.722647 3.328415 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=170) 0 12.425152 9.949121 3.888758 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=170) 0 12.545681 12.083246 3.914420 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=170) 0 13.197616 12.844379 3.485636 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=170) 0 11.526018 12.320467 3.622618 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=170) 0 12.639254 12.141291 5.454664 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=170) 0 13.613124 11.776333 5.780744 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=170) 0 12.557704 13.184237 5.756953 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=170) 0 11.519439 11.364606 6.171958 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=170) 0 10.560611 11.771209 5.845449 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=170) 0 11.547161 10.309187 5.907761 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=170) 0 11.614431 11.527999 7.696847 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=170) 0 11.879256 12.566437 7.915360 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=170) 0 10.633745 11.346462 8.145431 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=170) 0 12.607675 10.619498 8.315623 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=170) 0 13.481729 10.584792 7.799858 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=170) 0 12.862760 10.952284 9.246671 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=170) 0 12.259343 9.675062 8.456768 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=170) 0 12.508855 10.525687 1.868810 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=170) 0 11.429133 9.979955 1.646208 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=171) 0 13.365446 10.835896 0.891762 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=171) 0 14.196716 11.359171 1.145219 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=171) 0 13.209227 10.436089 -0.516998 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=171) 0 12.256408 10.801594 -0.900849 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=171) 0 14.355933 11.026259 -1.351268 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=171) 0 15.291115 10.874966 -0.819149 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=171) 0 14.435416 10.480244 -2.291026 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=171) 0 14.204475 12.520822 -1.656732 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=171) 0 13.823597 13.045751 -0.788609 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=171) 0 15.191592 12.923626 -1.878895 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=171) 0 13.288344 12.815018 -2.834115 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=171) 0 12.430516 12.033456 -3.224915 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=171) 0 13.471211 13.932000 -3.483703 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=171) 0 12.835531 14.164119 -4.235971 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=171) 0 14.168283 14.595493 -3.154223 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=171) 0 13.232003 8.912352 -0.687343 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=171) 0 12.417358 8.353400 -1.420145 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=172) 0 14.139487 8.226269 0.011207 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=172) 0 14.846235 8.736601 0.531234 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=172) 0 14.226087 6.769939 -0.007982 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=172) 0 14.223503 6.441198 -1.040721 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=172) 0 15.549253 6.335456 0.625661 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=172) 0 16.374106 6.651339 -0.014564 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=172) 0 15.671279 6.827585 1.590340 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=172) 0 15.618223 4.841787 0.826054 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=172) 0 15.814288 3.990592 -0.274226 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=172) 0 15.966770 4.403048 -1.258218 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=172) 0 15.779232 2.599657 -0.099550 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=172) 0 15.908348 1.950102 -0.949006 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=172) 0 15.542985 2.057613 1.173508 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=172) 0 15.511848 0.984912 1.310144 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=172) 0 15.329182 2.909836 2.268070 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=172) 0 15.129579 2.493618 3.239667 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=172) 0 15.371506 4.300884 2.098187 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=172) 0 15.187273 4.955049 2.936517 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=172) 0 13.007277 6.099971 0.637937 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=172) 0 12.448930 5.168425 0.056798 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=173) 0 12.519495 6.628283 1.764801 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=173) 0 13.056892 7.352959 2.230440 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=173) 0 11.213157 6.251662 2.312321 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=173) 0 11.221207 5.182228 2.525865 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=173) 0 10.964935 7.025984 3.620826 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=173) 0 11.316446 8.048330 3.497060 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=173) 0 9.893037 7.073314 3.820741 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=173) 0 11.667815 6.373887 4.826655 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=173) 0 12.636007 5.981015 4.517651 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=173) 0 11.899779 7.387983 5.945768 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=173) 0 10.951779 7.828214 6.254462 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=173) 0 12.363207 6.890877 6.798791 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=173) 0 12.577718 8.163422 5.591538 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=173) 0 10.819349 5.228776 5.385291 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=173) 0 10.606205 4.503424 4.602919 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=173) 0 11.359003 4.735021 6.194111 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=173) 0 9.877042 5.616084 5.772711 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=173) 0 10.096777 6.477533 1.279701 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=173) 0 9.299319 5.575270 1.051101 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=174) 0 10.085614 7.608148 0.568984 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=174) 0 10.751135 8.336059 0.803093 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=174) 0 9.115316 7.869642 -0.500641 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=174) 0 8.125997 7.702893 -0.075222 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=174) 0 9.218318 9.344206 -0.943229 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=174) 0 10.199272 9.743808 -0.692675 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=174) 0 9.113552 9.417177 -2.022187 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=174) 0 8.140788 10.225226 -0.295786 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=174) 0 8.142698 10.075650 0.783742 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=174) 0 8.370460 11.271601 -0.494515 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=174) 0 6.753806 9.913893 -0.846955 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=174) 0 6.019383 9.079393 -0.333902 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=174) 0 6.346986 10.498316 -1.949454 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=174) 0 5.407022 10.309289 -2.281920 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=174) 0 6.920687 11.190673 -2.425539 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=174) 0 9.210963 6.899189 -1.697733 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=174) 0 8.189971 6.657375 -2.345190 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=175) 0 10.372601 6.298835 -1.977084 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=175) 0 11.193458 6.581602 -1.454873 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=175) 0 10.508398 5.215835 -2.958294 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=175) 0 9.920975 5.462122 -3.842828 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=175) 0 11.974743 5.104847 -3.383387 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=175) 0 12.581928 4.756741 -2.548121 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=175) 0 12.060848 4.394078 -4.206220 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=175) 0 12.339096 6.076079 -3.710421 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=175) 0 9.976641 3.873895 -2.425491 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=175) 0 9.197735 3.206905 -3.108229 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=176) 0 10.332691 3.511229 -1.188879 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=176) 0 10.981629 4.102707 -0.679831 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=176) 0 9.826313 2.312371 -0.518148 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=176) 0 10.131382 1.430565 -1.079311 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=176) 0 10.443261 2.262305 0.885125 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=176) 0 10.094744 3.101871 1.485582 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=176) 0 10.149510 1.334043 1.371615 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=176) 0 11.529752 2.307440 0.817327 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=176) 0 8.291872 2.312231 -0.443212 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=176) 0 7.626813 1.332876 -0.766145 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=177) 0 7.718793 3.460943 -0.090125 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=177) 0 8.335679 4.221602 0.183819 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=177) 0 6.278645 3.689956 0.023589 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=177) 0 5.845815 2.857282 0.576577 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=177) 0 6.081943 4.986172 0.837164 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=177) 0 6.669307 5.775609 0.366494 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=177) 0 5.051289 5.318623 0.792396 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=177) 0 6.508379 4.875963 2.319202 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=177) 0 7.532124 4.512245 2.385441 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=177) 0 6.489693 5.880984 2.745710 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=177) 0 5.648187 3.965260 3.202683 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=177) 0 4.730373 3.259517 2.727462 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=177) 0 5.858001 3.942997 4.437396 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=177) 0 5.539935 3.706005 -1.336588 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=177) 0 4.313508 3.841413 -1.364297 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=178) 0 6.253057 3.539433 -2.458846 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=178) 0 7.258098 3.452092 -2.364060 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=178) 0 5.699498 3.376400 -3.807633 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=178) 0 4.630010 3.592087 -3.786115 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=178) 0 6.359923 4.421743 -4.711210 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=178) 0 7.440459 4.281678 -4.726285 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=178) 0 5.977789 4.330993 -5.728254 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=178) 0 6.126160 5.413397 -4.329986 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=178) 0 5.846823 1.945523 -4.375685 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=178) 0 5.041659 1.542825 -5.225621 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=179) 0 6.806186 1.145167 -3.890335 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=179) 0 7.424443 1.518058 -3.177900 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=179) 0 6.999144 -0.268199 -4.270016 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=179) 0 6.131977 -0.599082 -4.837755 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=179) 0 8.220876 -0.461730 -5.209201 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=179) 0 9.124905 -0.183390 -4.668817 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=179) 0 8.342532 -1.929432 -5.669398 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=179) 0 7.557099 -2.161921 -6.385067 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=179) 0 9.306645 -2.092278 -6.143348 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=179) 0 8.276522 -2.623083 -4.837001 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=179) 0 8.112725 0.435965 -6.465926 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=179) 0 7.150227 0.267556 -6.949097 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=179) 0 8.153893 1.479090 -6.155541 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=179) 0 9.216579 0.215546 -7.511808 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=179) 0 9.143183 -0.777290 -7.953299 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=179) 0 9.102529 0.935227 -8.317985 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=179) 0 10.193682 0.346494 -7.049710 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=179) 0 7.018372 -1.150829 -3.010209 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=179) 0 8.041334 -1.683382 -2.595438 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=180) 0 5.836896 -1.366123 -2.431315 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=180) 0 5.030027 -0.878660 -2.802093 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=180) 0 5.603075 -2.371388 -1.381884 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=180) 0 6.316441 -2.209416 -0.571035 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=180) 0 4.183731 -2.125332 -0.852591 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=180) 0 4.146887 -1.101674 -0.483338 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=180) 0 3.472802 -2.199922 -1.674840 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=180) 0 3.737529 -3.068320 0.265242 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=180) 0 4.069769 -2.799325 1.441952 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=180) 0 2.963505 -4.008829 -0.023367 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=180) 0 5.801473 -3.816255 -1.896256 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=180) 0 5.897620 -4.762088 -1.114694 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=181) 0 5.887444 -3.993507 -3.217983 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=181) 0 5.772508 -3.169566 -3.796833 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=181) 0 6.161234 -5.246049 -3.930214 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=181) 0 5.711960 -6.043960 -3.357488 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=181) 0 5.416423 -5.283817 -5.280712 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=181) 0 5.754991 -6.149616 -5.850983 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=181) 0 4.358485 -5.445807 -5.069094 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=181) 0 5.511917 -4.025078 -6.150614 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=181) 0 5.148040 -2.919066 -5.678861 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=181) 0 5.818185 -4.157229 -7.358196 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=181) 0 7.652130 -5.641689 -3.963909 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=181) 0 8.025587 -6.640579 -4.585295 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=182) 0 8.495650 -4.920119 -3.222800 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=182) 0 8.116164 -4.117002 -2.730451 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=182) 0 9.877681 -5.272219 -2.873515 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=182) 0 10.058464 -6.317595 -3.111432 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=182) 0 10.859732 -4.405460 -3.703158 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=182) 0 10.605908 -3.358929 -3.545297 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=182) 0 12.311689 -4.617035 -3.252887 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=182) 0 12.573476 -5.667657 -3.354516 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=182) 0 12.984982 -4.020011 -3.858880 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=182) 0 12.441897 -4.292932 -2.221970 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=182) 0 10.741026 -4.710445 -5.215366 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=182) 0 10.998794 -5.755983 -5.381975 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=182) 0 9.709097 -4.567961 -5.531430 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=182) 0 11.610581 -3.829569 -6.127927 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=182) 0 12.657436 -4.119783 -6.058194 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=182) 0 11.288731 -3.953733 -7.162236 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=182) 0 11.508659 -2.781284 -5.847310 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=182) 0 10.048651 -5.061752 -1.351048 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=182) 0 9.490126 -4.100538 -0.821017 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=183) 0 10.825624 -5.885191 -0.617299 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=183) 0 11.305437 -7.208600 -0.944469 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=183) 0 12.316252 -7.131526 -1.339101 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=183) 0 10.653881 -7.722720 -1.644538 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=183) 0 11.333058 -7.946348 0.392700 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=183) 0 12.027527 -8.783847 0.387699 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=183) 0 10.328425 -8.277575 0.658463 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=183) 0 11.794452 -6.861248 1.357666 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=183) 0 12.885106 -6.833614 1.365893 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=183) 0 11.417714 -7.037685 2.365143 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=183) 0 11.212850 -5.575276 0.753230 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=183) 0 10.323576 -5.293296 1.317542 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=183) 0 12.224612 -4.429148 0.754761 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=183) 0 13.339846 -4.563361 0.238699 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=184) 0 11.836419 -3.308807 1.354127 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=184) 0 10.909760 -3.288127 1.762106 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=184) 0 12.722933 -2.180996 1.618106 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=184) 0 13.615506 -2.276159 1.007263 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=184) 0 12.053775 -0.856993 1.231601 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=184) 0 11.020025 -0.870379 1.571624 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=184) 0 12.557990 -0.051180 1.766303 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=184) 0 12.068836 -0.514056 -0.246788 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=184) 0 11.167349 -1.128211 -1.130968 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=184) 0 10.478881 -1.877257 -0.772139 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=184) 0 11.114922 -0.725111 -2.474854 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=184) 0 10.402677 -1.185241 -3.138901 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=184) 0 11.939696 0.309817 -2.939448 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=184) 0 11.840522 0.653293 -3.956132 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=184) 0 12.854688 0.919124 -2.066805 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=184) 0 13.481169 1.727755 -2.413822 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=184) 0 12.916632 0.501745 -0.726218 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=184) 0 13.578485 1.002802 -0.045786 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=184) 0 13.142474 -2.184159 3.090696 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=184) 0 12.317673 -2.405480 3.976005 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=185) 0 14.408605 -1.876703 3.362216 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=185) 0 15.044308 -1.777717 2.576577 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=185) 0 14.935510 -1.606017 4.700502 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=185) 0 14.128107 -1.641897 5.426235 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=185) 0 15.664755 -2.368299 4.965048 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=185) 0 15.618484 -0.241717 4.780788 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=185) 0 16.088707 0.269798 3.769352 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=186) 0 15.710083 0.355088 5.966423 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=186) 0 15.286137 -0.102536 6.770082 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=186) 0 16.475884 1.587981 6.209925 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=186) 0 17.144927 1.737837 5.365238 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=186) 0 15.549633 2.823766 6.281453 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=186) 0 14.910037 2.797194 5.403830 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=186) 0 14.624753 2.804531 7.510145 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=186) 0 15.197021 2.946902 8.427490 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=186) 0 13.884561 3.599551 7.432590 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=186) 0 14.090745 1.856311 7.564802 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=186) 0 16.372616 4.127030 6.190276 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=186) 0 16.961719 4.261009 7.098468 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=186) 0 17.058287 4.051297 5.345169 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=186) 0 15.508668 5.375259 5.978385 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=186) 0 14.905769 5.571015 6.863866 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=186) 0 16.154347 6.233079 5.790143 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=186) 0 14.848247 5.233822 5.125445 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=186) 0 17.355587 1.434932 7.449120 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=186) 0 16.937902 0.827948 8.431869 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=187) 0 18.572014 1.974452 7.420278 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=187) 0 18.897135 2.406901 6.559586 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=187) 0 19.490414 1.945185 8.562545 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=187) 0 18.901366 1.785496 9.463381 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=187) 0 20.470201 0.768143 8.452059 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=187) 0 19.896564 -0.140170 8.278733 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=187) 0 21.491865 0.893644 7.321853 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=187) 0 22.242858 1.643942 7.567796 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=187) 0 21.975790 -0.065845 7.164015 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=187) 0 20.991832 1.168108 6.394923 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=187) 0 21.160167 0.626899 9.671982 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=187) 0 20.557520 0.137901 10.261116 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=187) 0 20.235003 3.262227 8.743515 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=187) 0 20.702099 3.860964 7.772866 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=188) 0 20.387525 3.677796 10.001701 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=188) 0 19.914737 3.157467 10.734988 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=188) 0 21.251481 4.788014 10.417631 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=188) 0 21.666512 5.246447 9.522411 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=188) 0 20.433946 5.879759 11.123749 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=188) 0 21.082287 6.729145 11.337320 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=188) 0 19.637497 6.217213 10.459040 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=188) 0 19.854866 5.428870 12.336940 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=188) 0 19.473377 6.234105 12.770873 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=188) 0 22.469213 4.331881 11.234403 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=188) 0 23.163093 5.165438 11.816633 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=189) 0 22.750448 3.021456 11.294021 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=189) 0 22.167973 2.376638 10.773334 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=189) 0 23.898586 2.469822 12.018360 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=189) 0 24.300994 3.240132 12.679477 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=189) 0 23.448315 1.306557 12.920178 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=189) 0 22.693329 1.662795 13.616513 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=189) 0 23.013657 0.514436 12.313116 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=189) 0 24.607685 0.747146 13.729359 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=189) 0 25.652826 1.364528 13.859455 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=189) 0 24.500601 -0.440080 14.268317 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=189) 0 25.348867 -0.805522 14.706425 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=189) 0 23.684489 -1.018088 14.105080 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=189) 0 25.030023 2.057802 11.061922 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=189) 0 24.843907 1.215383 10.179857 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=190) 0 26.234464 2.593722 11.273692 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=190) 0 26.373364 3.192331 12.075932 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=190) 0 27.386354 2.325347 10.411306 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=190) 0 27.031852 2.430061 9.390029 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=190) 0 28.468870 3.386882 10.585666 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=190) 0 29.260997 3.198077 9.861066 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=190) 0 28.048740 4.374344 10.388075 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=190) 0 29.010983 3.359608 11.888546 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=190) 0 29.964590 3.559559 11.784048 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=190) 0 27.960119 0.904141 10.522034 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=190) 0 28.692266 0.490503 9.623117 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=191) 0 27.566567 0.091173 11.511475 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=191) 0 27.030285 0.483124 12.277440 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=191) 0 27.802637 -1.366257 11.468763 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=191) 0 28.874168 -1.568276 11.473782 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=191) 0 27.152146 -2.059608 12.674998 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=191) 0 26.102817 -1.774114 12.721698 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=191) 0 27.173178 -3.137230 12.518913 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=191) 0 27.839390 -1.776056 14.006594 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=191) 0 29.028218 -2.141675 14.171203 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=191) 0 27.162996 -1.241677 14.913913 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=191) 0 27.195124 -1.994022 10.200909 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=191) 0 27.809757 -2.831921 9.534891 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=192) 0 25.983135 -1.562390 9.841465 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=192) 0 25.557743 -0.822217 10.388415 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=192) 0 25.215797 -2.112115 8.716956 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=192) 0 25.344246 -3.194962 8.715509 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=192) 0 23.711157 -1.812974 8.874006 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=192) 0 23.529012 -0.774440 8.607011 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=192) 0 22.875378 -2.730361 7.973116 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=192) 0 23.002791 -3.767784 8.279593 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=192) 0 21.821166 -2.463214 8.053688 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=192) 0 23.179588 -2.629134 6.934633 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=192) 0 23.224826 -2.035630 10.311918 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=192) 0 23.619084 -1.259854 10.964825 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=192) 0 22.136278 -1.989650 10.354946 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=192) 0 23.566412 -3.005304 10.663795 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=192) 0 25.763434 -1.584216 7.390480 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=192) 0 25.892176 -2.348742 6.438897 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=193) 0 26.193531 -0.316218 7.351089 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=193) 0 26.057071 0.247844 8.178312 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=193) 0 26.994596 0.237139 6.248842 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=193) 0 26.417487 0.236433 5.323396 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=193) 0 27.437075 1.672024 6.581549 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=193) 0 27.868436 1.688601 7.576021 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=193) 0 28.263153 1.900932 5.920043 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=193) 0 26.453398 2.825490 6.474843 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=193) 0 26.807217 3.944006 5.693183 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=193) 0 27.710804 3.932226 5.097677 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=193) 0 26.015864 5.103258 5.714267 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=193) 0 26.303042 5.967879 5.134038 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=193) 0 24.851645 5.144973 6.495328 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=193) 0 24.246835 6.039048 6.496283 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=193) 0 24.470619 4.023686 7.252098 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=193) 0 23.564628 4.053347 7.843043 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=193) 0 25.274597 2.869025 7.246997 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=193) 0 24.983312 2.025928 7.850786 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=193) 0 28.271235 -0.596281 6.017609 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=193) 0 28.575864 -0.983832 4.887690 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=194) 0 29.003816 -0.901062 7.096657 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=194) 0 28.694060 -0.541348 7.991503 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=194) 0 30.294130 -1.604281 7.045957 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=194) 0 30.971002 -1.054575 6.389939 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=194) 0 30.938829 -1.690917 8.432786 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=194) 0 30.325873 -2.328342 9.071152 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=194) 0 31.924361 -2.149810 8.333841 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=194) 0 31.086663 -0.421326 9.049516 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=194) 0 30.187636 -0.084319 9.259072 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=194) 0 30.161247 -3.025712 6.498185 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=194) 0 31.038928 -3.477223 5.763592 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=195) 0 29.049607 -3.725491 6.775997 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=195) 0 28.374501 -3.316653 7.414450 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=195) 0 28.771222 -5.059014 6.206208 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=195) 0 29.582521 -5.729263 6.495382 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=195) 0 27.459654 -5.603806 6.802286 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=195) 0 27.541825 -5.592494 7.890828 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=195) 0 26.624985 -4.964757 6.509622 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=195) 0 27.181786 -7.043593 6.337847 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=195) 0 26.918760 -7.038745 5.279748 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=195) 0 28.084460 -7.641964 6.472492 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=195) 0 26.042477 -7.698333 7.122226 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=195) 0 26.317427 -7.742060 8.178018 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=195) 0 25.129387 -7.111217 7.007052 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=195) 0 25.813256 -9.116953 6.590224 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=195) 0 25.413004 -9.057813 5.573564 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=195) 0 26.770527 -9.643620 6.548474 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=195) 0 24.881586 -9.860211 7.460986 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=195) 0 23.991498 -9.382684 7.554428 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=195) 0 24.703466 -10.809037 7.133716 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=195) 0 25.246654 -9.956704 8.407074 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=195) 0 28.749945 -5.057604 4.669243 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=195) 0 29.064916 -6.074468 4.052239 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=196) 0 28.455150 -3.912452 4.051404 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=196) 0 28.215323 -3.116364 4.628363 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=196) 0 28.390011 -3.737042 2.597955 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=196) 0 28.637704 -4.690192 2.131205 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=196) 0 26.937589 -3.427548 2.197373 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=196) 0 26.658721 -2.449047 2.591997 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=196) 0 26.861671 -3.385813 1.110572 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=196) 0 25.966995 -4.481941 2.708585 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=196) 0 26.015884 -5.791139 2.190076 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=196) 0 26.699945 -6.031339 1.387675 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=196) 0 25.211435 -6.804216 2.747166 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=196) 0 25.271674 -7.811719 2.364867 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=196) 0 24.348177 -6.512035 3.825488 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=196) 0 23.613050 -7.499080 4.403384 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=196) 0 23.776241 -8.360508 3.972184 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=196) 0 24.285632 -5.196971 4.332197 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=196) 0 23.633636 -4.979744 5.163912 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=196) 0 25.096856 -4.187891 3.776209 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=196) 0 25.080122 -3.191874 4.194690 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=196) 0 29.445182 -2.756102 2.051610 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=196) 0 29.303032 -2.274247 0.925750 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=197) 0 30.535846 -2.524614 2.796685 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=197) 0 30.591042 -2.975070 3.703059 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=197) 0 31.675395 -1.669169 2.417512 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=197) 0 32.349021 -1.662125 3.274605 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=197) 0 32.460257 -2.279802 1.232470 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=197) 0 31.820344 -2.315851 0.350999 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=197) 0 33.298785 -1.627101 0.989263 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=197) 0 33.020389 -3.685584 1.486749 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=197) 0 32.207298 -4.373958 1.708400 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=197) 0 33.515854 -4.028394 0.581287 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=197) 0 34.029419 -3.710277 2.625101 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=197) 0 33.845660 -4.365786 3.640655 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=197) 0 35.121192 -2.996497 2.520169 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=197) 0 35.780956 -3.009997 3.285224 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=197) 0 35.330197 -2.499537 1.660551 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=197) 0 31.327127 -0.184006 2.187785 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=197) 0 31.974616 0.488843 1.384281 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=198) 0 30.300444 0.348659 2.857214 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=198) 0 29.799639 -0.222574 3.528492 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=198) 0 29.847919 1.725752 2.638323 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=198) 0 30.129681 2.026713 1.629851 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=198) 0 28.311976 1.801510 2.699194 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=198) 0 27.997377 1.615635 3.722308 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=198) 0 28.010411 2.816960 2.437849 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=198) 0 27.560283 0.810804 1.790738 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=198) 0 27.780360 -0.208087 2.106739 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=198) 0 26.062159 1.037379 1.960435 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=198) 0 25.783565 2.027179 1.597445 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=198) 0 25.509032 0.278706 1.412327 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=198) 0 25.801856 0.954524 3.013415 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=198) 0 27.910440 0.952283 0.308328 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=198) 0 28.955515 0.690531 0.146207 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=198) 0 27.287333 0.283691 -0.284533 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=198) 0 27.740317 1.977555 -0.017826 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=198) 0 30.524637 2.711161 3.606866 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=198) 0 30.255613 2.712594 4.807152 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=199) 0 31.361801 3.605126 3.082385 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=199) 0 31.576140 3.532789 2.095628 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=199) 0 31.898680 4.761480 3.820709 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=199) 0 32.103497 4.460183 4.849537 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=199) 0 33.227296 5.200182 3.184287 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=199) 0 33.756147 5.836942 3.895175 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=199) 0 33.849136 4.323546 2.998756 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=199) 0 33.030894 5.973672 1.876148 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=199) 0 32.571327 5.366242 0.878951 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=199) 0 33.336285 7.188544 1.836500 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=199) 0 30.917721 5.949909 3.860797 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=199) 0 31.054910 6.855646 4.685206 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=200) 0 29.943631 5.954804 2.947253 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=200) 0 29.890048 5.138534 2.348991 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=200) 0 29.119340 7.100935 2.549321 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=200) 0 29.256947 7.926889 3.248607 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=200) 0 29.617641 7.524243 1.155054 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=200) 0 30.673465 7.785765 1.229668 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=200) 0 29.543502 6.657063 0.504188 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=200) 0 28.887500 8.700280 0.489295 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=200) 0 27.811587 8.588466 0.580722 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=200) 0 29.172899 9.622931 0.995488 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=200) 0 29.240811 8.808562 -1.004738 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=200) 0 28.814749 9.726978 -1.396846 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=200) 0 30.321381 8.889965 -1.108919 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=200) 0 28.754039 7.635626 -1.872677 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=200) 0 29.119777 7.789739 -2.892581 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=200) 0 29.196874 6.703358 -1.511398 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=200) 0 27.275409 7.528585 -1.891523 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=200) 0 26.863649 8.411808 -2.184673 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=200) 0 26.978624 6.798095 -2.534112 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=200) 0 26.901158 7.312897 -0.971480 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=200) 0 27.643182 6.708678 2.533059 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=200) 0 27.308094 5.574187 2.191006 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=201) 0 26.762944 7.652160 2.849429 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=201) 0 27.101015 8.552959 3.157188 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=201) 0 25.311687 7.470295 2.753211 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=201) 0 25.033168 6.618680 3.373306 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=201) 0 24.604190 8.711628 3.307040 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=201) 0 24.835584 9.565731 2.668351 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=201) 0 23.527323 8.550710 3.274069 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=201) 0 25.019631 9.034367 4.742338 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=201) 0 24.326093 8.623066 5.697491 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=201) 0 26.004901 9.785850 4.926009 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=201) 0 24.843579 7.170042 1.313202 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=201) 0 25.459659 7.596009 0.325451 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=202) 0 23.740446 6.436276 1.172429 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=202) 0 23.238204 6.145318 2.010321 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=202) 0 23.213659 6.015751 -0.126468 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=202) 0 22.721555 6.858012 -0.609179 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=202) 0 24.039949 5.688553 -0.758511 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=202) 0 22.198007 4.884082 -0.033451 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=202) 0 21.560367 4.678109 0.993076 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=203) 0 22.029372 4.142060 -1.125871 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=203) 0 22.623301 4.312470 -1.924339 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=203) 0 21.075420 3.027465 -1.228123 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=203) 0 20.816639 2.683330 -0.227759 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=203) 0 19.772874 3.470479 -1.933856 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=203) 0 19.995206 3.759016 -2.957291 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=203) 0 18.727526 2.353817 -1.973741 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=203) 0 18.502719 2.022041 -0.961047 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=203) 0 17.814045 2.715681 -2.439463 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=203) 0 19.089791 1.514628 -2.564594 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=203) 0 19.134671 4.679969 -1.240746 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=203) 0 19.773578 5.551943 -1.365758 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=203) 0 18.170300 4.911727 -1.682616 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=203) 0 18.997596 4.472246 -0.181108 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=203) 0 21.742280 1.862177 -1.952580 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=203) 0 22.545998 2.076222 -2.859205 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=204) 0 21.407984 0.631316 -1.571248 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=204) 0 20.758728 0.526017 -0.795625 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=204) 0 21.876199 -0.589738 -2.233091 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=204) 0 22.365690 -0.315810 -3.164585 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=204) 0 22.913409 -1.336224 -1.377081 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=204) 0 22.438636 -1.689687 -0.466214 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=204) 0 23.468546 -2.551514 -2.113087 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=204) 0 23.955024 -2.236680 -3.036067 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=204) 0 24.188802 -3.056700 -1.470433 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=204) 0 22.668339 -3.255535 -2.340410 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=204) 0 24.108451 -0.448612 -1.005385 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=204) 0 23.784047 0.375630 -0.371392 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=204) 0 24.847696 -1.031861 -0.457402 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=204) 0 24.569568 -0.042152 -1.905941 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=204) 0 20.686226 -1.484134 -2.569043 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=204) 0 19.878088 -1.811859 -1.700739 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=205) 0 20.589053 -1.889105 -3.833940 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=205) 0 21.335738 -1.614048 -4.464715 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=205) 0 19.629452 -2.871921 -4.330667 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=205) 0 18.786393 -2.930485 -3.640976 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=205) 0 19.078516 -2.391842 -5.683914 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=205) 0 18.517612 -1.484634 -5.467481 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=205) 0 19.902323 -2.115325 -6.340436 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=205) 0 18.141102 -3.357653 -6.437731 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=205) 0 17.491115 -3.873220 -5.731455 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=205) 0 17.271771 -2.527971 -7.383648 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=205) 0 17.896931 -1.967914 -8.078481 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=205) 0 16.597222 -3.174954 -7.936738 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=205) 0 16.677975 -1.825561 -6.801715 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=205) 0 18.888165 -4.387324 -7.295322 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=205) 0 19.423079 -5.094621 -6.667895 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=205) 0 18.180946 -4.958339 -7.892082 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=205) 0 19.588968 -3.886803 -7.961226 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=205) 0 20.295071 -4.245193 -4.364790 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=205) 0 21.360642 -4.422577 -4.954946 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=206) 0 19.643159 -5.219843 -3.750795 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=206) 0 18.721278 -5.012885 -3.381403 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=206) 0 20.068024 -6.608131 -3.677466 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=206) 0 21.074965 -6.702245 -4.079915 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=206) 0 20.097010 -7.066016 -2.216596 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=206) 0 19.088104 -6.996759 -1.807229 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=206) 0 20.384839 -8.117634 -2.199083 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=206) 0 21.043451 -6.294735 -1.314994 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=206) 0 20.624740 -5.095080 -0.706538 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=206) 0 19.637597 -4.701509 -0.903828 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=206) 0 21.484071 -4.410187 0.169522 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=206) 0 21.157214 -3.491874 0.632709 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=206) 0 22.764069 -4.921621 0.444174 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=206) 0 23.420611 -4.402261 1.128952 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=206) 0 23.187958 -6.113292 -0.169140 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=206) 0 24.168872 -6.510673 0.047245 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=206) 0 22.331398 -6.797604 -1.049865 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=206) 0 22.657611 -7.721088 -1.507353 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=206) 0 19.133394 -7.488123 -4.507813 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=206) 0 17.956061 -7.175694 -4.691100 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=207) 0 19.663438 -8.597891 -5.012681 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=207) 0 20.651792 -8.767381 -4.856093 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=207) 0 18.901143 -9.639367 -5.707309 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=207) 0 17.968171 -9.796483 -5.164053 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=207) 0 18.569069 -9.190506 -7.143107 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=207) 0 18.077221 -10.010560 -7.667520 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=207) 0 17.867946 -8.356273 -7.103177 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=207) 0 19.809049 -8.748540 -7.930397 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=207) 0 20.195017 -7.814342 -7.519033 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=207) 0 20.575402 -9.514214 -7.850534 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=207) 0 19.472019 -8.545810 -9.404248 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=207) 0 19.154162 -9.496955 -9.823150 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=207) 0 18.676230 -7.808451 -9.503277 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=207) 0 20.720292 -8.066347 -10.134679 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=207) 0 21.065358 -7.135212 -9.678877 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=207) 0 21.518733 -8.803726 -10.010000 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=207) 0 20.467897 -7.839391 -11.569151 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=207) 0 19.744289 -7.143447 -11.711211 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=207) 0 21.311804 -7.473131 -11.998993 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=207) 0 20.287841 -8.704632 -12.079093 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=207) 0 19.647079 -10.970422 -5.686150 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=207) 0 20.841214 -11.009151 -5.388103 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=208) 0 18.967795 -12.063485 -6.025630 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=208) 0 17.975861 -11.939797 -6.215125 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=208) 0 19.519147 -13.433374 -5.958305 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=208) 0 20.364255 -13.420221 -5.266877 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=208) 0 18.475424 -14.377236 -5.339467 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=208) 0 17.597604 -14.439928 -5.985610 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=208) 0 18.909440 -15.371942 -5.245436 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=208) 0 18.061647 -13.876554 -3.944524 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=208) 0 18.951439 -13.643442 -3.358040 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=208) 0 17.472833 -12.965547 -4.048609 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=208) 0 17.237129 -14.916683 -3.189070 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=208) 0 16.412496 -15.256340 -3.818124 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=208) 0 17.872072 -15.766373 -2.934575 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=208) 0 16.679897 -14.285640 -1.914716 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=208) 0 17.502296 -13.883916 -1.316920 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=208) 0 16.027926 -13.458852 -2.198993 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=208) 0 15.917371 -15.276177 -1.132345 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=208) 0 16.550753 -15.919106 -0.663486 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=208) 0 15.357307 -14.824482 -0.418664 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=208) 0 15.281415 -15.798618 -1.735107 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=208) 0 20.133971 -13.936779 -7.276138 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=208) 0 20.273759 -15.143088 -7.481822 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=209) 0 20.484186 -13.016853 -8.174029 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=209) 0 20.401981 -12.047890 -7.912112 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=209) 0 21.013893 -13.284918 -9.513216 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=209) 0 21.651030 -14.168917 -9.464576 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=209) 0 19.846324 -13.589070 -10.473987 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=209) 0 20.242895 -13.735508 -11.479091 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=209) 0 19.401741 -14.539591 -10.177146 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=209) 0 18.732590 -12.554246 -10.526246 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=209) 0 18.688751 -11.607660 -11.567248 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=209) 0 19.451260 -11.608652 -12.333581 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=209) 0 17.638202 -10.673769 -11.629572 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=209) 0 17.603228 -9.964785 -12.443248 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=209) 0 16.633276 -10.674827 -10.643727 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=209) 0 15.815353 -9.969828 -10.691871 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=209) 0 16.668527 -11.623120 -9.608310 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=209) 0 15.882119 -11.643084 -8.865370 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=209) 0 17.707521 -12.568184 -9.558316 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=209) 0 17.703950 -13.320767 -8.783425 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=209) 0 21.896327 -12.124827 -10.012869 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=209) 0 21.887123 -11.034053 -9.442030 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=210) 0 22.659033 -12.365721 -11.082013 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=210) 0 22.593411 -13.285375 -11.495782 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=210) 0 23.711860 -11.487626 -11.624529 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=210) 0 24.233168 -12.045154 -12.402344 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=210) 0 23.101931 -10.255128 -12.322529 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=210) 0 22.710972 -9.576342 -11.566507 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=210) 0 23.890519 -9.731094 -12.864079 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=210) 0 21.989220 -10.601892 -13.316382 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=210) 0 21.007408 -9.821022 -13.380862 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=210) 0 22.108950 -11.640802 -14.013378 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=210) 0 24.783825 -11.173600 -10.562143 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=210) 0 25.127631 -12.054259 -9.767073 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=211) 0 25.330026 -9.955258 -10.509332 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=211) 0 25.060710 -9.274048 -11.209007 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=211) 0 26.259879 -9.529062 -9.444469 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=211) 0 27.110269 -10.212443 -9.445008 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=211) 0 26.814007 -8.124039 -9.753154 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=211) 0 27.688983 -7.965646 -9.121616 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=211) 0 27.153113 -8.095278 -10.788313 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=211) 0 25.848940 -6.951810 -9.507031 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=211) 0 25.592789 -6.929865 -8.449305 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=211) 0 26.364437 -6.019045 -9.742968 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=211) 0 24.569417 -7.038733 -10.338768 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=211) 0 24.649528 -6.920866 -11.584617 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=211) 0 23.486199 -7.272310 -9.756810 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=211) 0 25.635009 -9.591488 -8.032993 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=211) 0 26.342881 -9.722081 -7.031213 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=212) 0 24.302437 -9.525629 -7.945824 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=212) 0 23.790142 -9.379385 -8.809498 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=212) 0 23.514666 -9.699447 -6.724847 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=212) 0 22.514825 -10.017619 -7.005452 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=212) 0 23.959265 -10.492685 -6.125039 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=212) 0 23.400532 -8.456800 -5.838948 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=212) 0 22.603791 -8.454744 -4.895553 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=213) 0 24.174035 -7.399449 -6.109902 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=213) 0 24.794138 -7.464266 -6.908894 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=213) 0 24.245727 -6.187443 -5.283755 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=213) 0 23.260547 -5.997093 -4.859073 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=213) 0 25.227978 -6.452592 -4.132102 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=213) 0 24.923194 -7.367611 -3.621524 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=213) 0 26.229148 -6.601969 -4.536953 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=213) 0 25.234093 -5.326757 -3.094679 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=213) 0 24.265746 -4.834976 -3.124490 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=213) 0 25.346028 -5.759022 -2.099557 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=213) 0 26.349810 -4.294651 -3.314171 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=213) 0 26.569628 -4.183382 -4.377162 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=213) 0 25.991080 -3.337200 -2.944385 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=213) 0 27.570074 -4.687337 -2.587641 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=213) 0 27.857762 -5.659334 -2.679648 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=213) 0 28.246392 -3.949099 -1.729342 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=213) 0 28.034983 -2.671470 -1.571220 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=213) 0 27.380849 -2.184936 -2.179789 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=213) 0 28.491517 -2.191150 -0.804506 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=213) 0 29.158473 -4.481053 -0.970562 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=213) 0 29.336315 -5.484226 -0.983311 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=213) 0 29.656820 -3.879095 -0.336751 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=213) 0 24.656667 -4.968259 -6.110914 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=213) 0 25.674053 -4.991046 -6.789048 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=214) 0 23.871199 -3.899221 -6.028363 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=214) 0 23.061975 -3.961431 -5.421759 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=214) 0 23.946988 -2.726097 -6.897578 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=214) 0 24.878845 -2.737574 -7.468885 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=214) 0 22.753447 -2.769385 -7.872729 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=214) 0 21.824539 -2.831416 -7.310884 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=214) 0 22.730546 -1.849342 -8.457009 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=214) 0 22.828128 -3.938769 -8.832570 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=214) 0 23.318078 -3.810248 -9.942166 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=214) 0 22.360670 -5.100410 -8.443688 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=214) 0 22.642716 -5.907625 -9.008135 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=214) 0 21.992390 -5.207736 -7.516854 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=214) 0 23.912839 -1.452645 -6.046857 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=214) 0 22.951207 -1.239261 -5.309895 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=215) 0 24.936698 -0.607021 -6.140296 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=215) 0 25.674571 -0.800925 -6.812037 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=215) 0 25.059637 0.613884 -5.341506 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=215) 0 24.531621 0.495018 -4.392571 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=215) 0 26.545560 0.843693 -5.045371 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=215) 0 27.069794 0.869641 -5.998598 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=215) 0 26.664268 1.816210 -4.573801 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=215) 0 27.230330 -0.186266 -4.158170 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=215) 0 26.639120 -1.003168 -3.463749 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=215) 0 28.541598 -0.169471 -4.153003 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=215) 0 29.030585 -0.828980 -3.580122 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=215) 0 29.021969 0.501093 -4.735798 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=215) 0 24.455125 1.819148 -6.088658 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=215) 0 24.739200 2.026158 -7.270986 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=216) 0 23.641273 2.631242 -5.413068 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=216) 0 23.443006 2.413197 -4.441734 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=216) 0 22.879460 3.726704 -6.023869 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=216) 0 22.361097 3.328038 -6.896150 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=216) 0 21.815890 4.207826 -5.035228 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=216) 0 21.159679 3.366811 -4.812047 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=216) 0 22.301047 4.522322 -4.110303 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=216) 0 20.977951 5.352134 -5.559450 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=216) 0 19.840803 5.083424 -6.335738 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=216) 0 19.549569 4.062839 -6.503036 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=216) 0 19.088581 6.132904 -6.888045 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=216) 0 18.214986 5.919808 -7.483449 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=216) 0 19.479726 7.460495 -6.661951 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=216) 0 18.915006 8.279644 -7.078762 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=216) 0 20.616604 7.729971 -5.886958 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=216) 0 20.916460 8.750118 -5.720739 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=216) 0 21.366099 6.682883 -5.330785 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=216) 0 22.248194 6.905815 -4.746960 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=216) 0 23.745357 4.898991 -6.508694 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=216) 0 24.654280 5.353925 -5.810459 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=217) 0 23.407930 5.435036 -7.681701 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=217) 0 22.591814 5.069294 -8.155784 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=217) 0 24.197744 6.423986 -8.422507 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=217) 0 25.170784 6.547992 -7.947344 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=217) 0 24.432264 5.897651 -9.846105 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=217) 0 23.464339 5.691957 -10.298412 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=217) 0 24.922630 6.668389 -10.440326 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=217) 0 25.282656 4.621424 -9.893510 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=217) 0 26.335541 4.898700 -9.832235 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=217) 0 25.054485 3.985748 -9.039075 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=217) 0 25.022416 3.822095 -11.172008 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=217) 0 25.166571 4.396808 -12.274897 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=217) 0 24.686489 2.617243 -11.065005 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=217) 0 23.510769 7.798610 -8.481762 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=217) 0 22.345876 7.909346 -8.887727 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=218) 0 24.252770 8.850145 -8.133279 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=218) 0 25.173075 8.683069 -7.744722 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=218) 0 23.791639 10.237190 -8.201232 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=218) 0 24.651385 10.906792 -8.196385 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=218) 0 23.259851 10.380516 -9.139990 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=218) 0 22.870134 10.644165 -7.051902 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=218) 0 22.926711 10.081024 -5.959187 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=219) 0 22.025028 11.644619 -7.284478 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=219) 0 21.987204 12.038075 -8.219120 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=219) 0 21.153362 12.225796 -6.261905 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=219) 0 21.753844 12.386438 -5.366704 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=219) 0 20.666891 13.594986 -6.734076 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=219) 0 21.549235 14.197064 -6.945270 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=219) 0 20.089033 13.476591 -7.651589 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=219) 0 19.806233 14.323605 -5.694613 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=219) 0 18.777702 13.965911 -5.757736 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=219) 0 20.181663 14.091573 -4.695570 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=219) 0 19.846534 15.841532 -5.896384 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=219) 0 19.912662 16.317271 -7.057637 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=219) 0 19.888987 16.563632 -4.869688 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=219) 0 19.980244 11.311222 -5.893925 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=219) 0 19.217619 10.859651 -6.755049 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=220) 0 19.815414 11.053757 -4.594918 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=220) 0 20.464710 11.477668 -3.936555 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=220) 0 18.761015 10.173716 -4.078286 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=220) 0 18.698956 9.290052 -4.710791 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=220) 0 19.067715 9.701071 -2.646406 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=220) 0 19.028585 10.563275 -1.990035 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=220) 0 18.032607 8.671782 -2.181946 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=220) 0 18.102099 7.780853 -2.804930 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=220) 0 18.219244 8.403883 -1.144760 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=220) 0 17.024950 9.082930 -2.236331 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=220) 0 20.448213 9.050362 -2.498970 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=220) 0 21.229265 9.750717 -2.790616 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=220) 0 20.619114 8.775893 -1.458933 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=220) 0 20.513569 8.158322 -3.117972 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=220) 0 17.415730 10.894838 -4.128925 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=220) 0 17.125799 11.739784 -3.281777 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=221) 0 16.571755 10.532374 -5.092163 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=221) 0 16.887763 9.868114 -5.782390 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=221) 0 15.169520 10.970252 -5.169577 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=221) 0 14.911179 11.434601 -4.226736 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=221) 0 14.905775 12.030879 -6.255512 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=221) 0 14.044153 12.601424 -5.920778 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=221) 0 16.049632 13.015591 -6.485811 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=221) 0 16.920048 12.499216 -6.886252 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=221) 0 15.735543 13.778790 -7.197726 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=221) 0 16.315440 13.494197 -5.543742 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=221) 0 14.560272 11.461802 -7.496889 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=221) 0 13.689218 11.857143 -7.715065 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=221) 0 14.246517 9.769956 -5.350452 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=221) 0 14.700131 8.724505 -5.819738 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=222) 0 12.951670 9.901005 -5.029045 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=222) 0 12.643791 10.765649 -4.591484 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=222) 0 11.943313 8.871156 -5.331200 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=222) 0 12.168634 7.978777 -4.751190 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=222) 0 10.542551 9.377486 -4.937970 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=222) 0 10.521049 9.536416 -3.859562 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=222) 0 10.353316 10.334314 -5.429537 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=222) 0 9.430044 8.385137 -5.331777 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=222) 0 9.428902 8.257641 -6.414133 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=222) 0 9.621163 7.419806 -4.866151 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=222) 0 8.041633 8.881991 -4.919463 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=222) 0 7.967489 8.907400 -3.835033 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=222) 0 7.917059 9.889539 -5.307903 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=222) 0 6.943639 7.972880 -5.486889 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=222) 0 6.968740 8.035308 -6.578601 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=222) 0 7.165099 6.942495 -5.200847 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=222) 0 5.594664 8.350049 -4.995098 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=222) 0 5.393256 9.327931 -5.197565 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=222) 0 4.871580 7.766817 -5.418696 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=222) 0 5.516277 8.209521 -3.991246 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=222) 0 12.000928 8.470362 -6.804990 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=222) 0 12.058317 7.287282 -7.117003 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=223) 0 12.041429 9.450662 -7.701214 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=223) 0 12.064299 10.406497 -7.360274 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=223) 0 12.065798 9.236512 -9.148506 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=223) 0 11.204102 8.628602 -9.429568 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=223) 0 11.963012 10.581424 -9.888367 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=223) 0 12.875468 11.162659 -9.752537 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=223) 0 11.878494 10.357452 -10.949509 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=223) 0 10.739938 11.427593 -9.490881 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=223) 0 10.510021 12.088650 -10.325480 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=223) 0 9.880042 10.767148 -9.359141 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=223) 0 10.917981 12.294143 -8.230207 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=223) 0 11.999457 12.288410 -7.593516 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=223) 0 9.936563 12.980631 -7.845209 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=223) 0 13.323724 8.472404 -9.584420 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=223) 0 13.214974 7.432438 -10.237859 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=224) 0 14.503847 8.926231 -9.146583 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=224) 0 14.516603 9.775460 -8.590009 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=224) 0 15.782359 8.282314 -9.449484 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=224) 0 15.866107 8.153372 -10.530576 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=224) 0 16.929647 9.185039 -8.960609 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=224) 0 16.765136 9.457048 -7.918540 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=224) 0 17.862209 8.627658 -9.030210 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=224) 0 17.132043 10.447267 -9.776386 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=224) 0 16.690464 10.571470 -10.912589 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=224) 0 17.887615 11.385009 -9.255738 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=224) 0 18.049924 12.232837 -9.777447 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=224) 0 18.319518 11.239991 -8.346268 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=224) 0 15.900507 6.881257 -8.828746 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=224) 0 16.548288 6.014936 -9.409882 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=225) 0 15.283273 6.630959 -7.669655 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=225) 0 14.805140 7.398540 -7.207219 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=225) 0 15.253047 5.312524 -7.028371 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=225) 0 16.248020 4.881400 -7.068751 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=225) 0 14.833674 5.461831 -5.561411 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=225) 0 13.991408 6.151912 -5.506728 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=225) 0 14.494470 4.495084 -5.185663 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=225) 0 15.975472 5.957855 -4.663029 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=225) 0 16.482732 6.809119 -5.116632 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=225) 0 15.386933 6.375041 -3.321845 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=225) 0 14.799959 5.552381 -2.920452 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=225) 0 16.178227 6.626455 -2.621147 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=225) 0 14.743768 7.245193 -3.458396 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=225) 0 16.989813 4.845079 -4.392110 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=225) 0 17.346079 4.411699 -5.321727 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=225) 0 17.847547 5.265014 -3.870514 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=225) 0 16.530556 4.058292 -3.796274 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=225) 0 14.333158 4.332216 -7.754043 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=225) 0 14.710812 3.177293 -7.947417 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=226) 0 13.164825 4.792697 -8.203267 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=226) 0 12.902837 5.749730 -7.984673 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=226) 0 12.283946 4.008859 -9.065163 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=226) 0 12.061494 3.060369 -8.576894 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=226) 0 10.967956 4.781078 -9.280526 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=226) 0 11.220253 5.779238 -9.628953 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=226) 0 10.389242 4.287612 -10.062646 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=226) 0 10.077074 4.927023 -8.029362 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=226) 0 10.661878 5.289564 -7.189221 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=226) 0 8.946326 5.919710 -8.301434 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=226) 0 8.326087 5.559719 -9.124313 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=226) 0 8.329954 6.028495 -7.411413 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=226) 0 9.367335 6.888715 -8.568154 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=226) 0 9.445726 3.609774 -7.601963 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=226) 0 10.223285 2.897743 -7.334873 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=226) 0 8.814239 3.771553 -6.729883 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=226) 0 8.836117 3.213648 -8.414731 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=226) 0 12.996727 3.666553 -10.385825 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=226) 0 12.956814 2.514978 -10.808481 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=227) 0 13.721044 4.605882 -11.004775 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=227) 0 13.714179 5.549687 -10.627962 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=227) 0 14.548612 4.323802 -12.190720 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=227) 0 13.926461 3.850865 -12.949945 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=227) 0 15.103774 5.628732 -12.779387 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=227) 0 15.599357 6.203257 -11.995797 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=227) 0 15.848157 5.379786 -13.535921 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=227) 0 14.024576 6.478093 -13.447212 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=227) 0 13.254925 5.939469 -14.279571 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=227) 0 13.937849 7.692831 -13.159515 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=227) 0 15.692463 3.338235 -11.890867 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=227) 0 15.869006 2.352441 -12.601061 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=228) 0 16.435718 3.530116 -10.802139 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=228) 0 16.281767 4.376097 -10.262419 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=228) 0 17.481966 2.605278 -10.348639 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=228) 0 18.272866 2.570110 -11.098134 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=228) 0 18.061132 3.179513 -9.053645 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=228) 0 18.707011 4.018548 -9.311790 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=228) 0 17.242794 3.585647 -8.466738 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=228) 0 18.828204 2.235362 -8.152444 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=228) 0 20.153193 1.872868 -8.457536 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=228) 0 20.605865 2.187594 -9.387534 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=228) 0 20.905437 1.128125 -7.532631 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=228) 0 21.924504 0.851161 -7.763218 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=228) 0 20.348206 0.779635 -6.291179 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=228) 0 20.944296 0.249676 -5.565353 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=228) 0 19.019130 1.122862 -5.992363 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=228) 0 18.590628 0.851670 -5.037937 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=228) 0 18.251658 1.830257 -6.931834 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=228) 0 17.234307 2.109262 -6.692295 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=228) 0 16.966741 1.167708 -10.166788 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=228) 0 17.673904 0.222604 -10.516473 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=229) 0 15.723892 0.995156 -9.707696 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=229) 0 15.219594 1.823323 -9.403777 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=229) 0 15.028035 -0.298074 -9.648937 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=229) 0 15.689837 -1.024857 -9.178726 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=229) 0 13.772693 -0.146173 -8.752919 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=229) 0 13.252776 0.763422 -9.047511 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=229) 0 12.762967 -1.302821 -8.861372 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=229) 0 13.160734 -2.189619 -8.377185 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=229) 0 11.837254 -1.030987 -8.355113 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=229) 0 12.524846 -1.528449 -9.899700 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=229) 0 14.227679 0.002152 -7.281632 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=229) 0 14.566939 -0.962607 -6.905788 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=229) 0 15.069229 0.690648 -7.218230 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=229) 0 13.141216 0.531359 -6.345832 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=229) 0 12.363902 -0.219543 -6.207819 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=229) 0 13.595713 0.754157 -5.380926 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=229) 0 12.706793 1.445841 -6.750685 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=229) 0 14.745880 -0.822564 -11.069136 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=229) 0 15.163736 -1.940050 -11.395219 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=230) 0 14.126878 -0.016858 -11.946256 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=230) 0 13.856822 0.911302 -11.628431 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=230) 0 13.867861 -0.370134 -13.361909 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=230) 0 13.162075 -1.201343 -13.408800 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=230) 0 13.263203 0.832049 -14.112592 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=230) 0 13.947660 1.673917 -14.029150 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=230) 0 13.188470 0.583281 -15.172297 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=230) 0 11.867407 1.256931 -13.624451 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=230) 0 11.144294 0.510867 -13.932998 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=230) 0 11.843183 1.293181 -12.541080 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=230) 0 11.455430 2.617333 -14.210634 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=230) 0 12.338104 3.127092 -14.592586 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=230) 0 10.767108 2.451048 -15.039357 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=230) 0 10.788707 3.530494 -13.177720 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=230) 0 9.785471 3.154839 -12.951913 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=230) 0 11.378655 3.505291 -12.261043 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=230) 0 10.719654 4.923621 -13.676567 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=230) 0 10.099079 4.994237 -14.479221 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=230) 0 10.412902 5.570496 -12.953248 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=230) 0 11.638527 5.260395 -13.965217 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=230) 0 15.133969 -0.820745 -14.104943 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=230) 0 15.048651 -1.699507 -14.960391 L N-N--0.415700(PDBName=N,ResName=HID,ResNum=231) 0 16.297854 -0.266302 -13.763704 L H-H-0.271900(PDBName=H,ResName=HID,ResNum=231) 0 16.251279 0.523694 -13.129182 L C-CT-0.018800(PDBName=CA,ResName=HID,ResNum=231) 0 17.573606 -0.520656 -14.443247 L H-H1-0.088100(PDBName=HA,ResName=HID,ResNum=231) 0 17.357514 -0.979121 -15.409199 L C-CT--0.046200(PDBName=CB,ResName=HID,ResNum=231) 0 18.249795 0.830842 -14.749697 L H-HC-0.040200(PDBName=HB2,ResName=HID,ResNum=231) 0 18.502155 1.324970 -13.810233 L H-HC-0.040200(PDBName=HB3,ResName=HID,ResNum=231) 0 19.175526 0.651510 -15.297364 L C-CC--0.026600(PDBName=CG,ResName=HID,ResNum=231) 0 17.395420 1.758593 -15.586492 L N-NA--0.381100(PDBName=ND1,ResName=HID,ResNum=231) 0 16.883277 1.488174 -16.833709 L H-H-0.364900(PDBName=HD1,ResName=HID,ResNum=231) 0 17.102212 0.677153 -17.408792 L C-CR-0.205700(PDBName=CE1,ResName=HID,ResNum=231) 0 16.139499 2.534988 -17.222149 L H-H5-0.139200(PDBName=HE1,ResName=HID,ResNum=231) 0 15.620622 2.603953 -18.170314 L N-NB--0.572700(PDBName=NE2,ResName=HID,ResNum=231) 0 16.150593 3.498091 -16.281744 L C-CV-0.129200(PDBName=CD2,ResName=HID,ResNum=231) 0 16.967996 3.015323 -15.250557 L H-H4-0.114700(PDBName=HD2,ResName=HID,ResNum=231) 0 17.213155 3.539399 -14.338569 L C-C-0.597300(PDBName=C,ResName=HID,ResNum=231) 0 18.515046 -1.518274 -13.725439 L O-O--0.567900(PDBName=O,ResName=HID,ResNum=231) 0 19.645371 -1.698978 -14.188266 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=232) 0 18.110615 -2.169439 -12.616793 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=232) 0 17.188847 -1.962634 -12.253136 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=232) 0 18.984467 -3.119493 -11.888534 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=232) 0 19.736799 -3.493495 -12.586866 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=232) 0 19.743845 -2.373704 -10.769994 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=232) 0 19.037875 -1.884193 -10.104241 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=232) 0 20.303105 -3.101825 -10.184498 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=232) 0 20.753028 -1.357217 -11.286287 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=232) 0 21.860839 -1.696443 -11.673434 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=232) 0 20.420535 -0.092264 -11.324562 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=232) 0 21.130581 0.558848 -11.643850 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=232) 0 19.494611 0.181918 -11.017307 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=232) 0 18.320474 -4.407321 -11.333052 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=232) 0 19.008093 -5.429125 -11.256308 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=233) 0 17.030948 -4.423474 -10.957142 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=233) 0 16.481787 -3.581907 -11.078259 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=233) 0 16.324584 -5.685009 -10.612905 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=233) 0 17.068838 -6.407344 -10.282560 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=233) 0 15.402853 -5.520329 -9.394206 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=233) 0 14.901295 -6.466069 -9.217402 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=233) 0 16.046903 -5.348807 -8.535108 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=233) 0 14.347086 -4.410701 -9.386860 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=233) 0 13.962901 -4.318715 -8.373339 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=233) 0 14.818237 -3.464925 -9.615369 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=233) 0 13.154202 -4.664480 -10.300295 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=233) 0 12.202461 -5.332554 -9.913374 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=233) 0 13.170536 -4.141535 -11.506421 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=233) 0 13.938427 -3.554480 -11.803841 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=233) 0 12.391366 -4.298452 -12.134885 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=233) 0 15.688690 -6.353473 -11.846372 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=233) 0 16.055844 -5.989363 -12.954425 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=234) 0 14.827665 -7.369797 -11.704048 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=234) 0 14.567526 -7.682688 -10.779643 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=234) 0 14.104699 -7.989122 -12.829366 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=234) 0 13.826171 -7.197183 -13.523911 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=234) 0 15.038275 -8.993135 -13.546346 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=234) 0 16.029841 -8.557140 -13.666108 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=234) 0 15.133721 -9.870582 -12.908102 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=234) 0 14.554849 -9.463765 -14.930681 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=234) 0 13.501204 -9.710938 -14.886967 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=234) 0 14.759172 -8.400165 -16.009925 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=234) 0 15.820331 -8.219152 -16.165314 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=234) 0 14.317332 -8.745505 -16.944658 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=234) 0 14.275480 -7.467112 -15.724668 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=234) 0 15.328811 -10.712645 -15.353985 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=234) 0 15.136146 -11.514818 -14.640089 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=234) 0 14.982953 -11.041051 -16.334172 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=234) 0 16.397807 -10.507662 -15.390412 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=234) 0 12.835521 -8.721037 -12.329835 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=234) 0 12.924126 -9.398238 -11.302102 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=235) 0 11.686629 -8.629673 -13.029002 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=235) 0 11.393781 -7.679606 -14.097271 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=235) 0 12.116070 -7.750652 -14.909092 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=235) 0 11.383760 -6.667885 -13.688843 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=235) 0 10.000998 -8.037973 -14.616804 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=235) 0 10.087637 -8.749611 -15.439590 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=235) 0 9.444434 -7.156228 -14.932252 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=235) 0 9.352718 -8.718215 -13.412815 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=235) 0 8.523592 -9.364238 -13.705461 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=235) 0 9.016726 -7.968780 -12.703110 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=235) 0 10.519629 -9.485654 -12.794644 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=235) 0 10.345946 -9.612731 -11.725873 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=235) 0 10.656594 -10.872808 -13.444679 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=235) 0 11.526704 -11.094568 -14.283779 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=236) 0 9.754555 -11.791601 -13.090041 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=236) 0 9.019596 -11.518708 -12.454816 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=236) 0 9.590072 -13.104629 -13.725217 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=236) 0 10.222296 -13.167964 -14.611663 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=236) 0 9.979877 -14.239746 -12.753546 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=236) 0 9.397726 -14.135167 -11.836896 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=236) 0 9.664765 -15.177900 -13.213275 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=236) 0 11.464380 -14.422097 -12.375924 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=236) 0 11.527890 -15.387435 -11.878110 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=236) 0 12.393363 -14.490281 -13.588289 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=236) 0 12.448341 -13.520200 -14.080401 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=236) 0 13.392531 -14.778426 -13.262087 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=236) 0 12.021865 -15.234463 -14.292385 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=236) 0 11.999222 -13.378950 -11.389115 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=236) 0 11.326832 -13.302775 -10.535587 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=236) 0 12.984271 -13.683045 -11.038020 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=236) 0 12.102837 -12.409911 -11.868896 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=236) 0 8.136266 -13.275700 -14.202313 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=236) 0 7.225943 -12.677602 -13.623047 L N-N--0.382100(PDBName=N,ResName=VAL,ResNum=237) 0 7.935523 -14.088616 -15.245648 L H-H-0.268100(PDBName=H,ResName=VAL,ResNum=237) 0 8.725841 -14.580326 -15.644856 L C-CT--0.343800(PDBName=CA,ResName=VAL,ResNum=237) 0 6.641965 -14.452341 -15.858551 L H-H1-0.143800(PDBName=HA,ResName=VAL,ResNum=237) 0 5.901398 -14.579056 -15.072634 L C-CT-0.194000(PDBName=CB,ResName=VAL,ResNum=237) 0 6.164190 -13.333350 -16.804303 L H-HC-0.030800(PDBName=HB,ResName=VAL,ResNum=237) 0 6.158986 -12.401768 -16.235203 L C-CT--0.306400(PDBName=CG1,ResName=VAL,ResNum=237) 0 7.076731 -13.128003 -18.020446 L H-HC-0.083600(PDBName=HG11,ResName=VAL,ResNum=237) 0 6.717387 -12.291034 -18.616676 L H-HC-0.083600(PDBName=HG12,ResName=VAL,ResNum=237) 0 8.092343 -12.917695 -17.687821 L H-HC-0.083600(PDBName=HG13,ResName=VAL,ResNum=237) 0 7.088597 -14.030856 -18.632165 L C-CT--0.306400(PDBName=CG2,ResName=VAL,ResNum=237) 0 4.729193 -13.570167 -17.283989 L H-HC-0.083600(PDBName=HG21,ResName=VAL,ResNum=237) 0 4.079561 -13.716861 -16.421605 L H-HC-0.083600(PDBName=HG22,ResName=VAL,ResNum=237) 0 4.381963 -12.710946 -17.855288 L H-HC-0.083600(PDBName=HG23,ResName=VAL,ResNum=237) 0 4.688570 -14.462744 -17.909462 L C-C-0.835000(PDBName=C,ResName=VAL,ResNum=237) 0 6.748553 -15.812973 -16.551435 L O-O2--0.817300(PDBName=O,ResName=VAL,ResNum=237) 0 5.719778 -16.520103 -16.582087 L O-O2--0.817300(PDBName=OXT,ResName=VAL,ResNum=237) 0 7.874534 -16.134787 -16.995391 L C-C-1.004947(PDBName=C18,ResName=GDS,ResNum=238) 0 -24.761502 -15.814187 -11.282060 L H-H1 94 0.0000 O-O2--0.856478(PDBName=O5,ResName=GDS,ResNum=238) 0 -24.295192 -14.884536 -11.966334 L O-O2--0.856478(PDBName=O6,ResName=GDS,ResNum=238) 0 -25.348469 -15.738979 -10.186134 L C-CT-0.021774(PDBName=C10,ResName=GDS,ResNum=238) 0 -24.444713 -20.879837 -5.835058 L H-HC 101 0.0000 C-CT-0.090430(PDBName=C6,ResName=GDS,ResNum=238) 0 -25.091515 -22.179917 -5.364679 L C-C-0.795436(PDBName=C20,ResName=GDS,ResNum=238) 0 -24.199676 -22.892600 -4.320501 L O-O2--0.768529(PDBName=O7,ResName=GDS,ResNum=238) 0 -24.611222 -23.005676 -3.147428 L O-O2--0.768529(PDBName=O8,ResName=GDS,ResNum=238) 0 -23.106694 -23.398649 -4.673356 L N-N3--0.516764(PDBName=N6,ResName=GDS,ResNum=238) 0 -26.468807 -21.858622 -4.893370 L H-H-0.336685(PDBName=H23,ResName=GDS,ResNum=238) 0 -26.949469 -22.677861 -4.534226 L H-H-0.336685(PDBName=H24,ResName=GDS,ResNum=238) 0 -26.450171 -21.168518 -4.144654 L H-H-0.336685(PDBName=H26,ResName=GDS,ResNum=238) 0 -27.018702 -21.472859 -5.658002 L H-HP-0.075961(PDBName=H8,ResName=GDS,ResNum=238) 0 -25.169549 -22.847572 -6.222792 L H-HC-0.040870(PDBName=H15,ResName=GDS,ResNum=238) 0 -25.172031 -20.340437 -6.443837 L H-HC-0.040870(PDBName=H16,ResName=GDS,ResNum=238) 0 -24.243868 -20.278052 -4.955590 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=239) -1 -7.698075 -11.088080 -4.899305 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=239) -1 -7.273389 -10.413764 -5.504422 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=239) -1 -7.112060 -10.963017 -4.122105 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=240) -1 -6.184608 5.267246 9.751384 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=240) -1 -5.360442 5.660141 9.384902 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=240) -1 -5.952043 4.311309 9.672174 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=242) -1 17.179173 -10.499655 -2.566075 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=242) -1 16.263476 -10.823395 -2.702018 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=242) -1 17.214376 -10.517409 -1.585048 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=243) -1 -3.652269 4.590053 2.065966 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=243) -1 -4.045303 5.466701 2.290863 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=243) -1 -4.122219 4.034037 2.720615 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=244) -1 31.536915 -1.728532 15.016483 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=244) -1 30.656763 -1.848761 14.587709 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=244) -1 32.031857 -1.315333 14.278251 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=245) -1 -1.373972 3.702237 15.245613 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=245) -1 -1.359197 3.367085 14.310813 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=245) -1 -1.038939 2.895495 15.693982 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=246) -1 -11.268250 -21.053629 -0.540276 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=246) -1 -11.176731 -20.309158 0.090859 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=246) -1 -11.848757 -20.642838 -1.220062 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=248) -1 -12.769805 -22.777409 -3.091158 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=248) -1 -11.805149 -22.966711 -3.108222 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=248) -1 -12.740413 -21.820929 -2.838397 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=250) -1 -9.310475 -13.302227 -4.540070 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=250) -1 -8.749662 -12.521406 -4.730500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=250) -1 -10.201131 -12.924526 -4.617686 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=251) -1 -15.486094 -11.539269 -11.578575 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=251) -1 -15.764330 -12.360803 -12.086711 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=251) -1 -16.177543 -11.555677 -10.892102 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=253) -1 -9.417105 -20.143151 -2.340218 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=253) -1 -9.210756 -19.309853 -1.859028 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=253) -1 -9.938747 -20.608937 -1.648263 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=255) -1 -14.266417 -9.777200 -13.100711 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=255) -1 -13.346474 -9.905143 -12.770681 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=255) -1 -14.713430 -10.476102 -12.540697 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=257) -1 -24.913958 -14.360042 -14.377293 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=257) -1 -24.255503 -13.622716 -14.493587 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=257) -1 -24.679551 -14.588816 -13.429635 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=258) -1 -14.547574 -24.730587 -3.037410 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=258) -1 -13.921527 -23.962972 -3.119260 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=258) -1 -15.231042 -24.433130 -3.688681 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=259) -1 -21.630776 -15.160113 -11.985399 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=259) -1 -22.596613 -14.987577 -12.029768 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=259) -1 -21.302230 -14.527748 -12.650299 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=260) -1 -22.876319 -23.919059 -1.432028 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=260) -1 -22.595106 -24.716210 -1.941141 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=260) -1 -23.542887 -23.563863 -2.085167 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=261) -1 -21.173279 -11.419598 -12.413224 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=261) -1 -20.326184 -11.036475 -12.096614 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=261) -1 -20.836020 -12.219246 -12.870769 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=262) -1 -25.699127 -13.084885 -10.803809 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=262) -1 -25.174353 -13.686648 -11.402077 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=262) -1 -25.547599 -13.567694 -9.960665 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=263) -1 -27.537877 -14.873804 -14.454954 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=263) -1 -26.564951 -14.681589 -14.406443 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=263) -1 -27.865467 -14.001978 -14.727156 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=264) -1 -17.994578 -12.518566 -14.455140 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=264) -1 -17.613978 -11.604027 -14.462920 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=264) -1 -17.366459 -12.924937 -13.793856 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=266) -1 -28.434751 -13.484017 -10.654715 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=266) -1 -27.544464 -13.108568 -10.845577 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=266) -1 -28.193043 -14.437519 -10.590956 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=267) -1 -29.551567 -16.054484 -8.449221 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=267) -1 -30.334645 -15.770269 -8.981246 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=267) -1 -28.873231 -16.024526 -9.172644 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=269) -1 -19.020510 -16.819295 6.796057 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=269) -1 -19.591229 -17.559408 6.550000 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=269) -1 -19.199669 -16.181136 6.080145 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=270) -1 7.609264 -2.887612 -12.440019 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=270) -1 8.034447 -2.984679 -11.557486 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=270) -1 7.641345 -3.826876 -12.736763 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=271) -1 -20.006782 -18.770297 3.038763 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=271) -1 -20.975035 -18.689171 2.970966 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=271) -1 -19.737597 -18.577531 2.116384 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=272) -1 30.247057 11.845778 -2.379419 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=272) -1 29.956942 12.245824 -3.238591 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=272) -1 29.373697 11.839342 -1.920236 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=273) -1 -16.244127 -16.626814 -16.845645 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=273) -1 -16.015419 -16.450330 -17.771528 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=273) -1 -16.721631 -15.779681 -16.628798 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=274) -1 25.219364 -4.553736 -12.738846 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=274) -1 25.154853 -5.379630 -12.204736 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=274) -1 24.278842 -4.286549 -12.750806 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=275) -1 -13.149232 27.059200 2.801359 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=275) -1 -12.385553 26.461188 2.646416 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=275) -1 -13.136443 27.094812 3.784802 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=276) -1 20.221627 -16.505763 -0.326255 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=276) -1 19.314350 -16.320499 0.047229 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=276) -1 20.756544 -16.226434 0.443070 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=277) -1 0.313924 -14.825624 -9.757026 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=277) -1 0.411740 -14.993298 -8.782065 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=277) -1 1.131316 -14.332362 -9.922094 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=278) -1 -27.604877 -10.258581 -8.458241 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=278) -1 -26.875349 -10.243153 -9.111986 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=278) -1 -27.668901 -9.296416 -8.252047 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=279) -1 25.574534 -9.745653 -16.713175 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=279) -1 24.862003 -9.066362 -16.649566 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=279) -1 25.053560 -10.539269 -16.427168 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=280) -1 19.776501 8.163918 -14.835264 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=280) -1 19.842215 9.157572 -14.850696 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=280) -1 19.972642 7.970932 -15.765232 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=281) -1 2.101976 -1.359938 -8.178960 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=281) -1 3.031837 -1.132948 -7.927586 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=281) -1 1.690714 -0.467076 -8.059608 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=282) -1 -21.043953 -3.214054 -17.603855 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=282) -1 -21.685822 -3.656547 -16.985137 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=282) -1 -21.361862 -3.559391 -18.450216 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=283) -1 -23.665983 23.121914 -4.565782 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=283) -1 -23.252377 23.092142 -5.453830 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=283) -1 -24.600056 22.934268 -4.802876 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=284) -1 -7.563487 -18.731899 11.403694 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=284) -1 -8.551762 -18.795865 11.354302 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=284) -1 -7.482622 -17.794850 11.699435 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=285) -1 -23.336485 21.551368 10.202383 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=285) -1 -23.093911 20.895447 9.505992 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=285) -1 -24.001607 21.054192 10.695709 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=286) -1 1.974592 8.589429 7.734728 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=286) -1 2.168460 8.117197 8.559270 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=286) -1 2.492203 8.041338 7.094423 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=287) -1 21.861156 12.550486 -2.855216 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=287) -1 22.036258 12.157395 -1.964080 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=287) -1 21.709937 13.486063 -2.581941 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=288) -1 -13.724666 24.057264 -15.979263 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=288) -1 -13.217772 23.564776 -16.640353 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=288) -1 -14.604371 24.113340 -16.422645 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=289) -1 -15.194462 17.076631 2.642435 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=289) -1 -15.962355 16.658843 3.106155 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=289) -1 -14.642927 17.306398 3.427663 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=291) -1 10.108704 19.383976 16.656864 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=291) -1 10.803637 19.197682 15.981024 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=291) -1 9.704515 18.512913 16.743197 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=292) -1 26.797425 1.451223 -9.829598 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=292) -1 27.481964 2.132556 -9.999139 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=292) -1 26.068518 1.792872 -10.395223 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=293) -1 -13.576199 7.173192 -12.182339 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=293) -1 -13.036209 6.577869 -12.752947 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=293) -1 -12.996642 7.194961 -11.381322 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=294) -1 -21.374411 -6.695581 15.751153 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=294) -1 -21.370348 -6.771532 14.764683 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=294) -1 -20.533496 -7.171631 15.944725 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=295) -1 -10.821540 15.162442 -6.366975 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=295) -1 -11.448053 14.770655 -7.029843 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=295) -1 -10.290826 14.346212 -6.177415 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=296) -1 -21.685269 2.321845 -11.347253 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=296) -1 -20.899475 2.533075 -11.911611 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=296) -1 -21.232035 1.872232 -10.600067 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=297) -1 -13.745220 8.895577 13.384602 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=297) -1 -14.371038 8.137278 13.456437 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=297) -1 -12.891897 8.401418 13.384734 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=298) -1 35.161123 -0.460965 11.422374 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=298) -1 35.100590 -0.560064 10.430406 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=298) -1 35.971402 -0.969323 11.583178 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=299) -1 19.316950 13.506233 -10.994808 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=299) -1 19.174354 14.204459 -11.653060 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=299) -1 19.220514 12.703638 -11.563143 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=301) -1 26.192932 -7.872626 -13.472701 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=301) -1 25.635718 -7.513536 -12.733644 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=301) -1 25.907927 -7.250222 -14.185097 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=302) -1 -10.139287 4.025650 15.300630 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=302) -1 -9.423780 3.821749 14.648484 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=302) -1 -10.796026 4.431050 14.681810 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=303) -1 18.542536 3.209324 -22.696719 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=303) -1 18.735701 2.676434 -21.904172 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=303) -1 17.603352 3.433595 -22.543468 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=304) -1 -20.990374 13.034781 12.800417 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=304) -1 -21.393032 13.204954 11.905790 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=304) -1 -21.732314 13.290301 13.367970 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=305) -1 -18.946703 1.281683 10.674833 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=305) -1 -19.689794 1.902533 10.590370 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=305) -1 -18.198137 1.900836 10.793726 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=306) -1 7.377221 -3.594514 5.164521 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=306) -1 8.239922 -3.635474 4.700476 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=306) -1 6.787870 -3.443985 4.386572 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=307) -1 4.952105 -10.593587 10.908660 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=307) -1 4.413121 -9.767331 10.912070 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=307) -1 5.773372 -10.226540 10.483800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=308) -1 12.543640 13.735994 -11.416513 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=308) -1 12.570579 13.035358 -12.108015 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=308) -1 13.478085 13.797905 -11.179592 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=309) -1 -10.279136 19.328607 -11.083136 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=309) -1 -10.396537 18.862155 -11.946122 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=309) -1 -10.237027 18.540159 -10.487266 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=310) -1 -10.527229 -1.135378 11.204075 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=310) -1 -10.895093 -1.771797 11.849145 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=310) -1 -9.763571 -0.787894 11.717636 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=311) -1 23.887995 15.423105 -6.478919 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=311) -1 23.528442 16.264431 -6.860257 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=311) -1 23.457796 15.493447 -5.582064 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=312) -1 -11.805578 14.407770 -0.327323 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=312) -1 -12.508409 14.985035 0.070672 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=312) -1 -12.377966 13.621080 -0.529256 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=313) -1 0.396397 -3.835347 14.650568 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=313) -1 0.560407 -4.412073 15.431592 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=313) -1 1.293762 -3.445542 14.544101 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=314) -1 -26.156773 -7.796405 -10.420573 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=314) -1 -26.653084 -7.730464 -9.578718 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=314) -1 -25.898320 -8.740552 -10.401472 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=315) -1 -19.340925 14.434021 -2.475735 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=315) -1 -19.569446 13.544383 -2.849101 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=315) -1 -18.957830 14.838163 -3.292201 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=316) -1 19.650997 -18.795815 -1.640445 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=316) -1 19.885089 -17.968795 -1.154709 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=316) -1 20.322624 -19.402337 -1.299574 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=317) -1 -21.902961 -16.829601 5.459536 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=317) -1 -21.196157 -16.211063 5.191795 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=317) -1 -22.212253 -16.428710 6.283396 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=318) -1 -13.589757 5.124436 11.486216 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=318) -1 -13.293014 5.945049 11.018636 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=318) -1 -14.231838 4.785212 10.804632 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=319) -1 29.235138 12.984491 -4.693839 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=319) -1 30.081905 13.012829 -5.207672 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=319) -1 28.630858 12.687572 -5.415253 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=320) -1 -18.336771 26.232365 3.209816 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=320) -1 -18.230226 25.272567 3.057266 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=320) -1 -17.432288 26.476779 3.494747 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=321) -1 -20.239448 29.135653 -3.313391 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=321) -1 -20.014885 29.390793 -4.238096 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=321) -1 -20.465545 29.996195 -2.935845 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=322) -1 23.778978 6.377718 -13.185195 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=322) -1 24.365259 5.613965 -12.909517 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=322) -1 22.912637 5.976936 -12.937153 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=323) -1 25.121839 -13.973717 -14.171920 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=323) -1 24.184897 -14.069964 -13.864780 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=323) -1 25.334673 -14.897924 -14.368121 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=324) -1 15.887516 9.401054 -13.356901 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=324) -1 15.990278 9.803774 -12.474924 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=324) -1 15.137692 8.777674 -13.178201 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=325) -1 -27.883134 -14.983502 -1.104807 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=325) -1 -27.663688 -14.085036 -0.751643 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=325) -1 -28.871272 -14.899725 -1.121502 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=326) -1 12.353146 14.448141 -6.097827 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=326) -1 11.399200 14.476081 -5.827579 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=326) -1 12.299831 13.652800 -6.696965 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=327) -1 -25.837660 2.147982 -3.804713 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=327) -1 -26.372130 1.432183 -3.392074 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=327) -1 -26.384971 2.328779 -4.598898 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=328) -1 14.788478 15.918098 -5.556903 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=328) -1 15.248927 15.587229 -4.755224 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=328) -1 14.113364 15.225225 -5.680627 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=329) -1 3.014388 -2.857434 -4.195595 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=329) -1 3.835073 -2.929377 -4.754846 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=329) -1 3.097821 -1.901468 -3.950953 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=330) -1 11.841791 16.956907 -7.171868 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=330) -1 12.217706 16.151618 -6.762463 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=330) -1 12.323155 17.648650 -6.667755 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=331) -1 -6.609845 11.317748 16.731970 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=331) -1 -6.974442 10.588776 16.175146 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=331) -1 -5.857423 10.872369 17.142545 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=332) -1 -1.536307 -16.176919 -4.301858 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=332) -1 -2.476917 -16.449130 -4.352990 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=332) -1 -1.180038 -16.676613 -5.075327 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=333) -1 0.695708 -10.744724 14.161957 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=333) -1 0.776581 -11.723116 14.161262 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=333) -1 1.610706 -10.480214 13.996942 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=334) -1 -24.094389 7.621166 5.461953 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=334) -1 -24.175050 6.860246 6.060904 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=334) -1 -23.198744 7.425982 5.069988 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=335) -1 3.193834 6.152031 -2.106673 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=335) -1 4.080033 6.570407 -2.248346 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=335) -1 3.485467 5.220799 -1.975206 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=336) -1 31.814365 10.749088 2.801563 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=336) -1 31.017047 11.132884 3.184983 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=336) -1 31.705170 10.971028 1.854029 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=337) -1 -15.256901 32.328048 -1.797761 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=337) -1 -15.116562 33.157525 -1.320014 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=337) -1 -15.425790 31.713834 -1.039843 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=338) -1 7.545351 11.657628 -7.502674 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=338) -1 8.441959 12.051146 -7.400019 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=338) -1 7.301381 12.042876 -8.372217 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=339) -1 9.118377 -0.967747 -13.605441 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=339) -1 9.463737 -0.776320 -12.700905 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=339) -1 8.506607 -1.711385 -13.380695 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=340) -1 14.146312 18.323402 -2.717776 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=340) -1 15.031114 18.015909 -2.429506 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=340) -1 13.583894 17.632757 -2.286953 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=341) -1 9.721744 14.316084 -5.568947 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=341) -1 9.720670 13.754633 -6.384970 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=341) -1 8.751012 14.458250 -5.477653 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=342) -1 -24.394200 14.170172 2.851621 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=342) -1 -24.686738 13.395670 3.389423 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=342) -1 -23.842204 13.685756 2.181269 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=343) -1 -2.468624 -5.253619 19.191749 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=343) -1 -3.228849 -5.613308 19.690921 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=343) -1 -2.464791 -4.331278 19.525166 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=344) -1 -8.773707 20.898093 4.946464 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=344) -1 -9.442813 20.234266 4.643724 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=344) -1 -9.035483 20.955932 5.895522 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=345) -1 -12.446151 -26.424350 -3.424414 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=345) -1 -13.243509 -25.840635 -3.395165 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=345) -1 -12.791874 -27.176085 -2.886157 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=346) -1 -10.862820 -16.431194 17.303396 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=346) -1 -10.580175 -16.479473 16.346571 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=346) -1 -11.580283 -17.109319 17.264477 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=347) -1 27.445160 7.627720 -8.198212 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=347) -1 27.592804 8.582246 -8.037306 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=347) -1 27.449124 7.613318 -9.177089 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=348) -1 -15.751145 -21.531492 2.821429 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=348) -1 -15.285515 -21.448658 3.681391 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=348) -1 -16.654368 -21.259725 3.086921 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=349) -1 15.842903 1.446438 -20.457267 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=349) -1 15.655891 2.200993 -21.047625 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=349) -1 14.952404 1.236333 -20.122348 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=350) -1 20.113535 1.865860 14.339527 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=350) -1 20.618618 2.706104 14.443161 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=350) -1 20.622499 1.292497 14.956789 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=351) -1 25.153679 -14.823926 -9.556682 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=351) -1 24.443998 -15.235899 -10.102120 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=351) -1 25.035556 -13.886765 -9.801684 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=352) -1 -12.220204 3.214999 20.838863 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=352) -1 -11.409185 2.657886 20.792369 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=352) -1 -11.892075 3.974187 21.341182 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=353) -1 3.835583 -13.635451 -3.268567 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=353) -1 4.653973 -13.294978 -2.837807 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=353) -1 3.188484 -13.456116 -2.549813 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=354) -1 -11.885131 3.748569 -15.760109 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=354) -1 -12.273633 3.652101 -16.641771 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=354) -1 -11.699780 2.805647 -15.538429 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=355) -1 -20.943433 -6.918855 13.063402 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=355) -1 -19.964687 -6.827046 13.152752 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=355) -1 -21.090769 -6.216673 12.368512 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=356) -1 -26.355377 -28.777383 -5.262723 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=356) -1 -26.549673 -28.543889 -4.335146 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=356) -1 -25.530220 -28.271115 -5.402723 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=357) -1 -11.840106 -25.628593 0.164017 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=357) -1 -12.798957 -25.658850 -0.057982 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=357) -1 -11.778789 -26.339951 0.816557 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=358) -1 -9.284898 -6.930760 20.154817 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=358) -1 -8.542997 -7.510735 20.424713 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=358) -1 -9.160783 -6.190472 20.793180 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=359) -1 -8.163278 16.288807 -0.767817 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=359) -1 -8.309709 15.701046 0.010012 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=359) -1 -8.752471 15.829525 -1.415112 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=360) -1 -12.998023 29.489560 -6.646708 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=360) -1 -12.755443 28.714689 -7.215481 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=360) -1 -12.290652 29.367388 -5.954562 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=361) -1 -4.347381 -16.543275 -4.808173 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=361) -1 -4.342101 -15.751470 -4.219482 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=361) -1 -5.148422 -16.996584 -4.442494 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=362) -1 12.642806 15.347319 7.601636 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=362) -1 12.557405 16.266519 7.265072 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=362) -1 13.559275 15.147300 7.329091 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=363) -1 8.686863 -2.628551 -16.778186 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=363) -1 8.796279 -3.277372 -16.032563 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=363) -1 8.349250 -3.221971 -17.465998 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=364) -1 -21.798913 -1.730260 -14.050339 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=364) -1 -22.224305 -0.904870 -13.706182 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=364) -1 -22.556965 -2.354310 -13.920008 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=365) -1 33.398116 -4.666282 6.195673 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=365) -1 32.467239 -4.341927 6.183449 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=365) -1 33.615760 -4.522474 5.239700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=366) -1 -24.345038 5.904458 -4.652848 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=366) -1 -25.138566 5.578181 -5.128272 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=366) -1 -24.229193 5.179208 -3.997467 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=367) -1 7.323126 15.394438 -7.850469 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=367) -1 8.177832 15.817805 -8.084719 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=367) -1 7.272322 14.722115 -8.564851 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=368) -1 -13.831941 -27.917631 -1.569260 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=368) -1 -14.579857 -28.507794 -1.426961 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=368) -1 -14.128937 -27.106512 -1.103115 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=369) -1 -3.131092 -5.744407 -13.408337 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=369) -1 -3.177967 -6.603821 -13.846619 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=369) -1 -4.067679 -5.452541 -13.457157 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=370) -1 -0.762532 6.490695 -7.271340 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=370) -1 -0.206721 6.480872 -8.068412 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=370) -1 -0.057177 6.373526 -6.578128 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=371) -1 -22.584466 -4.436242 -15.844091 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=371) -1 -21.947847 -4.899701 -15.254881 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=371) -1 -23.205296 -4.083179 -15.168415 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=372) -1 31.343524 -3.470425 17.190606 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=372) -1 31.629653 -2.968886 16.399397 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=372) -1 30.440102 -3.111610 17.304728 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=374) -1 5.754255 -13.036867 11.877362 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=374) -1 4.931460 -13.251393 12.368990 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=374) -1 5.612998 -12.075688 11.728363 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=375) -1 9.588157 13.578233 2.354850 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=375) -1 10.307220 14.159012 2.714337 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=375) -1 8.825388 14.167531 2.462027 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=376) -1 16.299748 12.903545 14.343466 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=376) -1 15.597829 12.822719 13.644227 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=376) -1 16.755597 12.044027 14.192743 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=377) -1 -29.321122 -16.126949 -12.778022 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=377) -1 -28.735777 -16.123034 -11.988934 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=377) -1 -28.735348 -15.668532 -13.422321 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=378) -1 -8.247953 -18.665296 -5.663985 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=378) -1 -8.913994 -18.021273 -5.987492 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=378) -1 -8.477129 -19.442170 -6.224651 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=379) -1 -19.951602 12.236362 -3.946286 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=379) -1 -20.322560 11.336497 -4.105787 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=379) -1 -19.114387 12.156787 -4.462812 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=380) -1 3.414855 3.772378 -6.458572 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=380) -1 3.723483 2.906472 -6.139760 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=380) -1 2.520088 3.803715 -6.030352 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=381) -1 -14.308487 18.256790 9.487450 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=381) -1 -14.612021 19.024098 8.953874 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=381) -1 -15.175969 17.999481 9.899341 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=382) -1 34.408982 -3.071467 -1.827923 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=382) -1 34.153567 -4.019073 -1.758237 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=382) -1 34.077856 -2.852474 -2.707359 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=383) -1 -12.257939 -5.940276 -13.210791 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=383) -1 -12.475141 -6.580553 -13.926085 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=383) -1 -13.167427 -5.719288 -12.912168 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=384) -1 -7.369517 -8.809704 20.897035 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=384) -1 -7.360961 -8.945795 21.859701 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=384) -1 -6.433488 -8.483915 20.776081 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=385) -1 11.869457 18.456269 14.824546 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=385) -1 11.749070 17.526273 14.493370 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=385) -1 12.694358 18.686335 14.374607 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=386) -1 35.536379 0.559062 1.319624 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=386) -1 34.915558 1.006448 0.699003 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=386) -1 35.762734 -0.231991 0.769116 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=387) -1 -18.652706 16.828851 8.983098 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=387) -1 -18.572220 16.582969 8.040421 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=387) -1 -19.624817 16.988277 9.036180 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=388) -1 -21.690772 23.623607 9.737527 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=388) -1 -22.312321 22.869699 9.891836 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=388) -1 -21.834477 24.140212 10.540334 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=389) -1 13.195811 10.064076 15.621974 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=389) -1 13.783761 9.959660 14.834297 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=389) -1 13.600489 10.881842 16.005519 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=390) -1 -19.165058 -5.000453 -11.773931 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=390) -1 -19.746268 -5.052798 -10.979356 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=390) -1 -19.250137 -4.036886 -11.968593 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=391) -1 1.073848 10.849409 0.614084 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=391) -1 1.986241 10.494216 0.426871 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=391) -1 0.823665 10.217921 1.333257 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=392) -1 -4.632259 6.668155 17.851359 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=392) -1 -3.870870 7.236006 18.050235 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=392) -1 -4.157767 5.918964 17.388718 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=393) -1 -12.200831 0.250618 19.227368 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=393) -1 -12.460909 0.993680 18.642078 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=393) -1 -12.537812 -0.506768 18.681736 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=394) -1 -10.505717 28.789484 -13.754904 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=394) -1 -10.005291 29.614784 -13.777012 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=394) -1 -11.390747 29.111454 -13.469986 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=395) -1 -31.555244 -22.509837 -4.784450 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=395) -1 -31.119215 -22.379735 -3.912178 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=395) -1 -31.220849 -23.413718 -4.996424 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=396) -1 20.479232 -2.722131 -16.596568 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=396) -1 19.803790 -3.422756 -16.776316 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=396) -1 20.246908 -2.507975 -15.668749 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=397) -1 -2.415804 -8.227262 16.792779 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=397) -1 -3.396135 -8.100926 16.840064 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=397) -1 -2.370377 -9.035517 16.242527 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=398) -1 8.318221 6.505949 7.893296 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=398) -1 7.807620 6.184692 8.685146 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=398) -1 8.350475 7.453953 8.092363 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=399) -1 -3.635988 -14.201309 -12.676587 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=399) -1 -4.386209 -13.842212 -13.212505 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=399) -1 -3.576256 -15.100531 -13.062258 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=400) -1 -24.092614 1.004380 1.862335 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=400) -1 -24.168143 0.110170 1.457288 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=400) -1 -23.881502 0.738476 2.793057 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=401) -1 -14.409799 -16.044499 15.532633 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=401) -1 -15.374641 -16.140308 15.525770 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=401) -1 -14.283455 -15.649016 16.435978 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=402) -1 26.499435 5.588024 -3.889334 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=402) -1 27.149787 5.752470 -4.625578 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=402) -1 25.704608 5.412418 -4.452225 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=403) -1 -4.431988 -1.621451 22.604768 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=403) -1 -3.980112 -1.416005 23.438267 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=403) -1 -5.023700 -0.820784 22.536658 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=404) -1 -30.544225 -15.005728 -1.456235 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=404) -1 -30.743161 -14.617913 -2.336206 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=404) -1 -31.070604 -15.828788 -1.502628 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=405) -1 -0.034858 -15.422452 2.126301 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=405) -1 -0.280363 -15.572196 3.066906 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=405) -1 -0.852418 -14.970960 1.809870 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=406) -1 -23.168107 20.310304 4.380573 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=406) -1 -23.225812 19.546768 4.995119 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=406) -1 -22.953967 19.841155 3.542826 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=407) -1 -14.633556 -17.720538 9.556947 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=407) -1 -15.336096 -17.342009 8.982079 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=407) -1 -14.535939 -16.961484 10.193835 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=408) -1 12.795347 5.832419 -18.805377 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=408) -1 13.179138 5.562851 -17.941050 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=408) -1 12.663047 4.947428 -19.209539 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=409) -1 6.787595 -5.697363 1.175473 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=409) -1 7.385640 -6.346666 0.715589 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=409) -1 6.440999 -5.246518 0.358601 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=410) -1 16.802130 20.109751 3.363734 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=410) -1 16.225514 20.212431 2.560762 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=410) -1 17.170209 19.208995 3.141962 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=411) -1 10.907067 -1.505636 -15.616841 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=411) -1 10.322176 -1.246692 -14.862420 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=411) -1 10.224167 -1.908810 -16.204023 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=412) -1 8.488647 -7.125644 -7.176806 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=412) -1 9.447752 -6.892659 -7.218130 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=412) -1 8.334074 -6.997245 -6.212378 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=413) -1 -26.675493 1.830031 2.190591 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=413) -1 -26.803564 1.188546 2.933694 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=413) -1 -25.731924 1.627720 1.981841 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=414) -1 10.091402 4.921959 11.509270 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=414) -1 10.446184 5.261966 10.662116 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=414) -1 10.640108 5.421676 12.147928 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=415) -1 22.463495 15.872929 -4.257097 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=415) -1 21.608277 16.314534 -4.459336 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=415) -1 22.288279 15.574368 -3.341087 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=416) -1 -22.186763 -25.608059 -3.492574 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=416) -1 -22.534667 -24.801947 -3.951477 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=416) -1 -21.278126 -25.618269 -3.844767 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=417) -1 20.962902 -17.793391 -13.957648 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=417) -1 20.040611 -17.900722 -14.278102 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=417) -1 21.101489 -16.852062 -14.261213 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=418) -1 24.219522 19.868745 -10.847149 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=418) -1 24.232918 18.925689 -10.557862 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=418) -1 23.548937 20.228943 -10.254846 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=419) -1 -21.295705 -7.666244 -11.015378 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=419) -1 -20.350850 -7.821909 -11.246522 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=419) -1 -21.188600 -6.928974 -10.377410 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=420) -1 13.845060 15.148423 4.532459 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=420) -1 14.429241 14.758548 5.209206 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=420) -1 14.295462 16.015140 4.393061 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=421) -1 5.865519 -12.515512 -1.769133 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=421) -1 6.795668 -12.592507 -1.471803 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=421) -1 5.642874 -11.621092 -1.464196 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=422) -1 -15.367445 5.223011 -11.410123 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=422) -1 -14.902986 6.070936 -11.584225 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=422) -1 -15.329539 4.828855 -12.311961 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=423) -1 -3.604118 -17.661658 -7.131164 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=423) -1 -3.881457 -17.149157 -6.326974 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=423) -1 -4.290158 -18.351016 -7.129539 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=424) -1 -9.618250 28.927620 -2.817008 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=424) -1 -8.827798 28.478493 -2.433325 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=424) -1 -10.192697 28.968603 -2.030093 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=425) -1 -7.745154 23.528538 -10.801801 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=425) -1 -7.119688 22.851708 -10.442559 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=425) -1 -7.764362 24.140481 -10.027316 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=426) -1 31.365606 11.282812 0.121431 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=426) -1 31.149967 11.447456 -0.824650 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=426) -1 31.934200 10.480187 0.017716 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=427) -1 -8.093399 -16.844730 -13.052980 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=427) -1 -7.216002 -16.750067 -12.619778 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=427) -1 -8.545279 -16.048820 -12.707010 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=428) -1 23.908648 0.618508 -9.444581 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=428) -1 24.266186 1.137438 -8.688283 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=428) -1 24.076829 1.275654 -10.167484 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=429) -1 -17.849737 -2.719159 17.084402 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=429) -1 -18.352238 -2.365193 16.333739 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=429) -1 -18.301263 -3.593419 17.195523 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=430) -1 -24.941602 -3.647514 -0.933054 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=430) -1 -24.675056 -4.373756 -0.329739 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=430) -1 -24.320673 -3.823342 -1.685873 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=431) -1 13.263539 -18.247745 1.174176 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=431) -1 13.178138 -17.335755 1.552630 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=431) -1 14.226916 -18.219319 0.947811 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=432) -1 -21.306460 17.389100 8.861261 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=432) -1 -21.741694 18.260920 8.952764 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=432) -1 -22.087782 16.820131 8.703798 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=433) -1 18.389167 2.122147 -20.060751 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=433) -1 18.155738 3.036979 -19.794802 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=433) -1 17.480029 1.763619 -20.221951 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=434) -1 -20.718686 6.065001 -5.774239 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=434) -1 -21.535108 5.913540 -6.321903 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=434) -1 -20.478453 5.102240 -5.639418 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=435) -1 -7.941707 25.531944 -12.657374 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=435) -1 -7.875642 24.722318 -12.096602 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=435) -1 -7.065009 25.531872 -13.071615 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=436) -1 9.039712 -8.268458 -9.572063 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=436) -1 8.725941 -8.060530 -8.660515 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=436) -1 9.850084 -8.779282 -9.350096 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=437) -1 -5.282381 -1.436810 -10.999765 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=437) -1 -5.626514 -1.039818 -11.831342 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=437) -1 -4.960342 -0.616264 -10.555501 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=438) -1 20.102253 10.021167 12.853228 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=438) -1 20.463558 10.942166 12.842932 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=438) -1 20.749346 9.609246 12.223022 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=439) -1 23.868688 17.433631 -9.698232 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=439) -1 23.286835 17.504100 -8.906510 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=439) -1 23.954608 16.462288 -9.758446 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=440) -1 -17.544293 12.867127 -8.970939 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=440) -1 -18.370940 13.367692 -8.798212 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=440) -1 -17.821509 11.975086 -8.666862 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=441) -1 10.621836 15.157967 -3.013031 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=441) -1 10.262956 14.285942 -2.747928 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=441) -1 10.307581 15.196605 -3.939922 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=442) -1 6.381580 -6.347626 -8.715052 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=442) -1 7.114274 -6.698070 -8.152361 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=442) -1 6.255671 -5.473522 -8.263936 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=443) -1 -11.733856 -9.661863 -15.788373 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=443) -1 -11.096095 -10.043151 -15.142241 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=443) -1 -11.752715 -10.357097 -16.458973 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=444) -1 12.862290 -19.796997 -2.783371 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=444) -1 12.260183 -19.418366 -2.107810 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=444) -1 13.556617 -20.175439 -2.196012 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=445) -1 15.502576 -12.417058 10.687480 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=445) -1 16.427266 -12.110325 10.877282 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=445) -1 15.697570 -13.383836 10.594334 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=446) -1 -21.479177 -9.273404 9.503524 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=446) -1 -22.187129 -8.610198 9.691836 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=446) -1 -21.066388 -8.831411 8.721098 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=447) -1 -15.485215 14.461840 -6.069584 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=447) -1 -15.306894 13.541318 -5.768531 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=447) -1 -15.372349 14.338622 -7.039598 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=448) -1 29.118492 8.240891 14.026199 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=448) -1 30.007092 8.009241 14.416594 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=448) -1 28.716219 7.340962 14.054631 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=449) -1 9.254983 -6.194256 3.971552 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=449) -1 9.221771 -5.320307 3.519777 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=449) -1 9.942738 -6.006103 4.646435 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=450) -1 -10.115685 15.217389 -2.291712 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=450) -1 -10.487290 14.598076 -2.974675 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=450) -1 -10.695093 14.935975 -1.533662 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=451) -1 -18.739446 26.197722 -4.840455 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=451) -1 -18.818950 26.777700 -5.642646 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=451) -1 -18.899724 25.324626 -5.301795 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=452) -1 -15.170342 11.883027 -5.272536 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=452) -1 -14.704380 11.990673 -4.396814 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=452) -1 -14.721731 11.054265 -5.562350 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=453) -1 22.536493 -6.747484 -13.074724 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=453) -1 23.352283 -6.920015 -12.529664 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=453) -1 22.518744 -5.760488 -12.986582 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=454) -1 -11.257499 5.010072 -8.742729 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=454) -1 -10.523234 4.489955 -9.126818 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=454) -1 -12.027940 4.477701 -9.043276 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=455) -1 24.588372 -4.006857 -16.877629 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=455) -1 23.936828 -3.676266 -17.549835 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=455) -1 24.534797 -3.238675 -16.249981 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=456) -1 -8.248418 20.595560 0.430578 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=456) -1 -8.025318 20.874660 1.345433 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=456) -1 -9.230174 20.522335 0.515303 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=457) -1 -6.920309 5.066974 -9.466577 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=457) -1 -7.799925 4.817112 -9.855395 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=457) -1 -6.349665 4.499412 -10.051679 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=458) -1 -20.958269 13.987544 -5.714689 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=458) -1 -20.231799 14.631540 -5.515475 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=458) -1 -20.730281 13.313226 -5.019770 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=459) -1 -19.040613 28.039965 1.401677 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=459) -1 -19.880845 27.706276 1.018734 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=459) -1 -18.923842 27.375616 2.129155 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=460) -1 -13.300438 -1.560747 17.620303 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=460) -1 -14.270941 -1.426892 17.564992 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=460) -1 -13.212783 -2.476197 17.320402 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=461) -1 -26.687516 -0.044982 -10.260219 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=461) -1 -26.907396 -0.993552 -10.073849 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=461) -1 -27.152807 0.071013 -11.106475 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=462) -1 11.666527 17.714089 4.222139 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=462) -1 12.238231 18.375009 3.768202 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=462) -1 12.006057 17.799435 5.137943 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=463) -1 -22.804507 22.805426 -7.234392 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=463) -1 -23.736165 22.497040 -7.372573 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=463) -1 -22.735157 23.431188 -7.991493 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=464) -1 8.515008 -12.943649 -0.878343 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=464) -1 9.222680 -12.479721 -0.382708 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=464) -1 9.077274 -13.393898 -1.564305 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=465) -1 -5.713894 -4.876174 -13.196773 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=465) -1 -6.167307 -4.103453 -13.610541 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=465) -1 -5.511517 -4.490065 -12.312827 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=466) -1 -11.748761 21.373813 -12.090844 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=466) -1 -11.278386 20.710162 -11.525441 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=466) -1 -12.236438 20.746255 -12.677643 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=467) -1 27.283670 7.979974 -11.014588 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=467) -1 27.330949 7.907747 -12.002790 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=467) -1 26.634199 8.726821 -10.955935 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=468) -1 8.737657 -2.892463 -9.969406 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=468) -1 8.797372 -3.847371 -9.739143 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=468) -1 7.932656 -2.648037 -9.453605 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=469) -1 11.491776 -15.475623 8.306397 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=469) -1 12.267080 -14.878638 8.353130 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=469) -1 11.864210 -16.198894 7.755079 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=470) -1 21.796435 12.804308 -14.642387 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=470) -1 22.472266 12.274949 -14.148227 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=470) -1 22.248615 13.654644 -14.704729 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=471) -1 -14.392784 26.414443 -9.480460 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=471) -1 -15.264143 26.722650 -9.130247 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=471) -1 -14.121782 27.203336 -9.983984 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=472) -1 3.453313 6.913897 6.192917 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=472) -1 4.419591 6.819640 6.379155 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=472) -1 3.278047 5.981906 5.899406 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=473) -1 -16.861813 20.315041 -0.777078 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=473) -1 -15.887566 20.189205 -0.919132 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=473) -1 -17.185114 19.763258 -1.524712 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=474) -1 -9.250543 -1.353675 -14.699705 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=474) -1 -8.666467 -2.118298 -14.572325 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=474) -1 -10.121379 -1.720436 -14.471614 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=475) -1 -24.445048 -16.790669 -15.456245 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=475) -1 -24.608649 -15.881881 -15.112410 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=475) -1 -23.512882 -16.728973 -15.702006 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=476) -1 -12.286477 -23.037969 0.955300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=476) -1 -11.862913 -22.399531 0.333827 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=476) -1 -11.944771 -23.882167 0.592025 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=477) -1 2.988939 3.158613 -11.704587 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=477) -1 3.191357 3.419777 -10.766543 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=477) -1 3.834475 3.448291 -12.120594 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=478) -1 11.111914 -6.793579 -7.784617 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=478) -1 11.388176 -7.668512 -8.120938 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=478) -1 11.628846 -6.197105 -8.357723 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=479) -1 11.449174 -18.372528 -0.885208 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=479) -1 12.133946 -18.418610 -0.176141 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=479) -1 10.717985 -17.957456 -0.366184 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=480) -1 0.715622 -15.287013 -7.161138 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=480) -1 0.162920 -16.026605 -6.840106 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=480) -1 1.106441 -14.977144 -6.313852 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=481) -1 5.615334 7.284297 -2.311218 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=481) -1 5.682018 7.884985 -1.532163 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=481) -1 6.533457 6.921585 -2.310170 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=482) -1 25.239046 7.992576 -14.816143 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=482) -1 24.666571 7.342447 -14.350649 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=482) -1 24.592103 8.659986 -15.078230 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=483) -1 -18.763512 24.402605 -17.844770 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=483) -1 -19.495874 24.172227 -18.426504 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=483) -1 -19.181359 24.343100 -16.961228 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=484) -1 -27.535710 -7.610513 -7.990184 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=484) -1 -27.905921 -6.763339 -8.358279 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=484) -1 -27.511103 -7.350282 -7.037968 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=485) -1 -28.938040 22.425437 -1.151125 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=485) -1 -29.240154 22.497841 -0.225207 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=485) -1 -29.480880 21.670838 -1.465065 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=486) -1 -16.226988 24.290233 -16.897290 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=486) -1 -17.049473 24.333282 -17.446345 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=486) -1 -16.253787 25.214661 -16.528719 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=487) -1 -20.014015 -9.270823 11.763695 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=487) -1 -20.537716 -8.572432 12.209004 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=487) -1 -20.548777 -9.376853 10.938834 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=488) -1 -7.902425 26.466992 0.926855 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=488) -1 -8.076650 25.507703 1.083852 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=488) -1 -7.338898 26.673290 1.686641 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=489) -1 3.673231 -5.516114 -8.347033 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=489) -1 4.312847 -4.824936 -8.053719 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=489) -1 4.303094 -6.152425 -8.747284 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=490) -1 27.286615 3.494990 -7.440847 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=490) -1 27.681653 3.444373 -8.340936 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=490) -1 26.431279 3.047619 -7.602118 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=491) -1 -13.708452 18.043927 4.675888 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=491) -1 -13.114552 17.273763 4.873395 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=491) -1 -13.285859 18.701678 5.291538 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=492) -1 -11.335458 -24.695212 -5.393629 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=492) -1 -10.798978 -24.229271 -4.721303 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=492) -1 -11.693623 -25.432092 -4.859417 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=493) -1 0.702871 -13.496272 13.965606 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=493) -1 0.297138 -14.168907 14.561156 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=493) -1 -0.044527 -13.394549 13.325541 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=494) -1 10.960629 -12.722944 6.633511 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=494) -1 11.698489 -13.156288 7.119298 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=494) -1 11.332290 -11.816848 6.553027 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=495) -1 12.742045 16.278656 -1.610290 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=495) -1 12.639223 15.785743 -0.773518 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=495) -1 11.966054 15.938202 -2.111700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=496) -1 -18.184893 15.013072 0.004048 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=496) -1 -17.289273 14.601558 0.029623 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=496) -1 -18.387692 14.895957 -0.952542 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=497) -1 -16.156852 -7.859803 -12.489813 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=497) -1 -15.413652 -8.489785 -12.602095 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=497) -1 -15.669869 -7.007543 -12.561677 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=498) -1 27.390092 9.840350 -4.994401 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=498) -1 27.093085 9.975084 -4.071639 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=498) -1 26.788168 9.107157 -5.263143 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=499) -1 5.501557 -15.265425 7.182508 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=499) -1 5.902415 -14.906788 8.010468 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=499) -1 6.318946 -15.647514 6.775529 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=500) -1 11.805576 15.999081 13.798076 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=500) -1 11.296292 15.636103 13.029478 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=500) -1 12.238128 15.163250 14.094467 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=501) -1 -25.801256 20.630544 3.291533 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=501) -1 -25.656193 19.660933 3.122958 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=501) -1 -25.006012 20.802727 3.843858 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=502) -1 27.797154 12.110643 -1.119495 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=502) -1 28.169379 12.570476 -0.334910 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=502) -1 27.529115 12.894930 -1.659917 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=503) -1 4.575208 -0.834257 -7.166566 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=503) -1 4.849829 -0.077315 -6.623330 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=503) -1 4.810585 -1.584149 -6.562246 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=504) -1 -24.626381 16.190314 4.610554 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=504) -1 -24.468027 15.490472 3.920322 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=504) -1 -24.933968 15.588629 5.339232 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=505) -1 25.915732 15.001386 13.065423 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=505) -1 26.139119 14.763382 12.137390 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=505) -1 26.394493 14.278248 13.535112 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=506) -1 -22.173514 9.866188 7.892365 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=506) -1 -21.838573 9.405754 8.702819 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=506) -1 -21.495824 9.545259 7.246889 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=507) -1 14.125324 -18.878774 -9.733765 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=507) -1 15.084196 -18.746429 -9.555523 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=507) -1 13.939383 -18.063438 -10.244463 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=508) -1 -27.603059 0.386996 -7.546362 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=508) -1 -27.538687 -0.590569 -7.361211 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=508) -1 -27.337567 0.384489 -8.487043 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=509) -1 12.850114 -10.614166 6.669323 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=509) -1 13.137774 -10.657724 7.610638 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=509) -1 13.685037 -10.867672 6.225153 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=511) -1 21.817916 11.712859 4.190876 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=511) -1 20.907627 11.959800 4.459674 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=511) -1 22.153674 11.354248 5.045679 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=512) -1 31.015494 4.664471 15.010571 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=512) -1 31.786514 4.300165 14.519299 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=512) -1 30.732193 3.830960 15.480172 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=513) -1 -29.791208 -2.143379 -5.699580 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=513) -1 -29.040156 -2.275069 -6.320270 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=513) -1 -29.696464 -2.967955 -5.160399 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=514) -1 -16.926867 29.561258 2.426631 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=514) -1 -17.804165 29.208551 2.176437 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=514) -1 -16.613412 28.860379 3.029997 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=515) -1 28.889049 -8.596268 -13.019914 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=515) -1 28.649189 -9.411395 -13.495196 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=515) -1 28.049411 -8.099518 -13.076611 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=516) -1 13.995655 10.284276 -15.202751 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=516) -1 14.798419 10.088678 -14.679098 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=516) -1 13.594741 10.994447 -14.667979 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=517) -1 0.644095 11.873045 -1.865207 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=517) -1 -0.042603 11.198320 -2.080074 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=517) -1 0.927110 11.532250 -0.984514 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=518) -1 -6.244961 -7.443786 -12.636591 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=518) -1 -5.717545 -7.376886 -11.810864 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=518) -1 -6.124773 -6.529838 -12.983149 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=519) -1 -3.679702 -19.827638 10.390312 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=519) -1 -3.608134 -18.882333 10.142722 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=519) -1 -4.540617 -20.051562 9.979096 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=520) -1 33.601596 -5.681475 -1.795478 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=520) -1 33.370625 -5.872539 -2.745223 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=520) -1 33.095070 -6.421377 -1.379560 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=521) -1 -21.159244 -21.888378 -0.909776 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=521) -1 -21.721087 -22.675915 -1.111185 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=521) -1 -20.480763 -21.996488 -1.618928 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=522) -1 32.458661 -7.857817 -0.618847 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=522) -1 32.884824 -7.731739 0.264495 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=522) -1 32.792011 -8.735887 -0.854389 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=523) -1 -21.376053 9.030841 -9.248211 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=523) -1 -21.984874 8.276533 -9.441039 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=523) -1 -20.926413 8.676367 -8.450101 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=524) -1 -2.624343 11.162746 -0.341178 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=524) -1 -2.023128 11.887812 -0.068757 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=524) -1 -2.085058 10.747995 -1.052164 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=525) -1 -13.985795 15.658978 0.702354 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=525) -1 -14.723531 15.098269 0.384791 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=525) -1 -14.466641 16.205246 1.369222 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=526) -1 -13.354459 8.434648 1.648880 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=526) -1 -13.767972 9.287505 1.389001 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=526) -1 -13.193623 8.035419 0.775016 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=527) -1 -24.258368 2.353404 8.740559 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=527) -1 -24.898296 1.804968 8.220906 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=527) -1 -23.788534 2.794086 7.999108 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=528) -1 -8.741706 -0.041053 22.064803 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=528) -1 -8.430375 -0.661315 21.368809 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=528) -1 -9.231389 0.605753 21.507427 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=529) -1 10.637973 -12.969453 -5.775597 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=529) -1 10.975209 -13.696094 -6.355602 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=529) -1 9.844618 -13.417444 -5.405630 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=530) -1 33.728709 6.586748 13.706222 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=530) -1 33.528716 5.624884 13.627607 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=530) -1 34.265606 6.728744 12.917277 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=531) -1 -9.436257 6.285841 16.730197 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=531) -1 -9.651524 5.485955 16.209155 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=531) -1 -8.519206 6.459090 16.432835 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=532) -1 30.472523 3.125183 7.460000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=532) -1 30.435214 2.925095 6.495254 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=532) -1 29.917940 3.934551 7.481851 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=533) -1 16.953435 -17.946993 -4.357968 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=533) -1 17.908748 -17.862415 -4.574366 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=533) -1 16.561965 -17.805024 -5.246369 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=534) -1 -8.595802 16.127180 15.979087 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=534) -1 -8.287503 15.187479 16.047414 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=534) -1 -7.821786 16.588204 16.335048 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=535) -1 -18.509040 14.985037 -5.054392 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=535) -1 -18.095054 14.115682 -5.273676 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=535) -1 -17.909553 15.577889 -5.560697 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=536) -1 -9.010821 25.015341 -2.173477 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=536) -1 -8.656282 24.138448 -1.889966 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=536) -1 -8.984325 24.890768 -3.150468 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=537) -1 -17.729616 21.074221 1.659874 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=537) -1 -16.989752 20.580352 2.109278 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=537) -1 -17.491280 20.821998 0.723374 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=538) -1 20.998957 19.770925 -6.804115 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=538) -1 20.676169 19.856462 -5.887300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=538) -1 20.164532 19.501984 -7.253471 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=539) -1 9.996323 15.683475 -8.672723 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=539) -1 10.633088 16.276954 -8.200542 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=539) -1 10.191651 14.838750 -8.220839 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=540) -1 -26.602074 -22.509584 -0.015742 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=540) -1 -25.723315 -22.631271 0.404129 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=540) -1 -26.621346 -23.304462 -0.595097 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=541) -1 5.229279 -12.412890 4.077023 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=541) -1 5.678075 -11.526444 4.043757 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=541) -1 6.054938 -12.973999 4.108175 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=542) -1 -22.869923 19.124185 1.933559 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=542) -1 -23.732511 18.691939 2.125406 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=542) -1 -22.364350 18.335680 1.616507 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=543) -1 0.516453 -5.553689 16.726858 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=543) -1 0.375547 -6.119506 17.513303 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=543) -1 1.444792 -5.265028 16.881301 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=544) -1 17.265451 -5.991377 14.882191 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=544) -1 17.336120 -6.838545 15.352062 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=544) -1 18.175941 -5.939127 14.491890 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=545) -1 15.980334 -16.469370 -11.546963 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=545) -1 16.298796 -16.959372 -10.758582 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=545) -1 15.069435 -16.251901 -11.256376 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=546) -1 16.276271 -17.264198 5.775081 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=546) -1 16.583353 -17.908065 5.124010 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=546) -1 15.499652 -16.878733 5.306352 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=547) -1 9.941683 -0.679821 -10.999661 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=547) -1 10.798161 -0.652971 -10.549957 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=547) -1 9.525108 -1.457103 -10.557564 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=548) -1 -16.403952 -17.071616 7.521220 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=548) -1 -16.108152 -16.375705 6.888194 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=548) -1 -17.380457 -16.977678 7.412350 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=549) -1 29.287988 7.791862 6.510789 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=549) -1 29.988619 8.161711 7.112457 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=549) -1 29.868033 7.546670 5.750488 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=550) -1 23.773386 9.081455 -3.697174 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=550) -1 23.273840 9.305939 -4.530276 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=550) -1 24.103754 10.001429 -3.504588 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=551) -1 23.529800 -13.820667 3.510350 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=551) -1 23.239558 -14.572447 4.070284 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=551) -1 22.936074 -13.955560 2.734297 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=552) -1 30.148526 7.793852 -12.538048 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=552) -1 30.023343 6.911965 -12.144241 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=552) -1 29.368991 7.840849 -13.129856 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=553) -1 33.036067 4.012037 13.209842 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=553) -1 33.524617 3.218559 12.874182 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=553) -1 32.407109 4.112567 12.443961 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=554) -1 -25.159646 14.245511 6.402569 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=554) -1 -25.243881 13.580893 5.670107 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=554) -1 -25.252661 13.602758 7.163094 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=555) -1 -18.972037 27.654521 -7.107842 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=555) -1 -19.717330 27.226025 -7.593344 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=555) -1 -19.412454 28.467664 -6.791964 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=556) -1 0.427446 2.057398 -11.511826 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=556) -1 1.205672 2.645910 -11.650830 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=556) -1 0.903392 1.229104 -11.261808 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=557) -1 -9.753303 20.908944 7.499383 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=557) -1 -10.578233 20.998599 8.030993 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=557) -1 -9.143092 20.566883 8.168097 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=558) -1 -16.343398 19.142155 -12.443019 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=558) -1 -15.614451 18.508900 -12.663170 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=558) -1 -17.028997 18.473651 -12.173515 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=559) -1 14.207487 -2.697963 14.121984 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=559) -1 14.277268 -2.557675 13.153476 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=559) -1 14.042262 -1.771024 14.412331 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=560) -1 -13.616507 32.158306 -6.994305 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=560) -1 -14.030699 32.304491 -6.119758 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=560) -1 -13.214137 31.275030 -6.847180 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=561) -1 -11.572113 -14.337833 18.815411 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=561) -1 -11.262010 -15.069854 18.228569 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=561) -1 -11.185205 -13.569193 18.335737 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=562) -1 24.948591 11.093575 14.360104 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=562) -1 24.271571 10.613018 14.854016 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=562) -1 24.415129 11.476035 13.627096 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=563) -1 -14.566460 31.817542 -12.069346 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=563) -1 -15.282090 31.218194 -12.417243 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=563) -1 -14.801219 32.637402 -12.530146 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=564) -1 17.354665 4.235623 12.004941 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=564) -1 18.201029 4.722705 12.098756 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=564) -1 17.702370 3.314040 11.976053 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=565) -1 -10.197780 26.154491 -14.128979 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=565) -1 -10.252914 27.140207 -14.035826 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=565) -1 -9.371960 25.997809 -13.615610 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=566) -1 -16.150827 0.793197 -14.850466 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=566) -1 -16.341613 0.962223 -15.806106 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=566) -1 -17.052400 1.010749 -14.488968 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=567) -1 -8.839607 1.257385 -14.401970 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=567) -1 -9.718035 1.490124 -14.772741 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=567) -1 -8.874739 0.274030 -14.540600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=568) -1 15.000068 20.695163 -1.485407 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=568) -1 15.812655 20.715883 -2.044138 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=568) -1 14.490394 20.008866 -1.968034 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=569) -1 26.801593 -8.621685 -18.966399 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=569) -1 26.297299 -7.786043 -18.861181 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=569) -1 26.472984 -9.119117 -18.189118 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=570) -1 8.257148 -5.540778 -12.580466 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=570) -1 7.622932 -6.277773 -12.384700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=570) -1 8.746835 -5.547196 -11.720783 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=571) -1 -22.237748 -5.063494 6.749073 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=571) -1 -22.745365 -5.891001 6.838300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=571) -1 -21.780366 -5.067862 7.638045 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=572) -1 17.200181 -2.148687 -17.821944 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=572) -1 17.868515 -1.505463 -18.150028 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=572) -1 17.748517 -2.950112 -17.733817 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=573) -1 -27.924933 20.113438 1.524119 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=573) -1 -28.489758 20.902483 1.675564 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=573) -1 -27.305500 20.196662 2.278730 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=574) -1 16.712914 -14.864026 10.223542 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=574) -1 16.742001 -15.245461 9.318627 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=574) -1 17.669890 -14.733611 10.382278 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=575) -1 27.275864 13.909435 -3.026418 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=575) -1 26.543923 13.933844 -3.680491 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=575) -1 28.031207 13.727272 -3.632172 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=576) -1 -19.487964 24.141111 -15.212475 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=576) -1 -18.653624 23.613785 -15.134508 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=576) -1 -20.014646 23.708614 -14.511953 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=577) -1 -19.979694 26.624236 -2.484536 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=577) -1 -19.667949 26.325639 -3.379798 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=577) -1 -20.184216 27.570602 -2.730610 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=578) -1 -25.296729 -5.549069 -11.584309 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=578) -1 -24.445027 -5.891583 -11.930075 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=578) -1 -25.665440 -6.384018 -11.200469 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=579) -1 -23.800396 -3.474121 -13.553425 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=579) -1 -24.675693 -3.221406 -13.172402 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=579) -1 -23.636559 -4.300058 -13.048005 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=580) -1 -16.674618 11.032983 4.334203 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=580) -1 -15.998114 11.146919 5.044287 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=580) -1 -16.193128 11.473973 3.593614 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=581) -1 3.831727 -14.555441 5.237766 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=581) -1 4.452077 -14.867313 5.951426 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=581) -1 4.441894 -13.930503 4.780320 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=582) -1 -13.920050 30.992516 -9.535147 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=582) -1 -14.138801 31.499738 -10.345132 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=582) -1 -13.730948 31.719261 -8.907551 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=583) -1 18.609421 18.575734 -7.435351 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=583) -1 17.660469 18.300071 -7.453080 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=583) -1 19.028811 17.678725 -7.387742 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=584) -1 4.690613 -9.828430 -0.848976 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=584) -1 5.386292 -9.750106 -0.148547 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=584) -1 4.817070 -8.951950 -1.288061 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=585) -1 -16.720280 11.074617 0.138846 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=585) -1 -15.772390 10.922152 0.386889 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=585) -1 -17.141499 10.412477 0.739910 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=586) -1 6.094691 -7.552220 3.057556 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=586) -1 6.118146 -7.119373 3.933051 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=586) -1 6.356066 -6.792230 2.483650 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=587) -1 -8.205810 -19.887324 7.287846 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=587) -1 -7.974989 -18.906635 7.268110 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=587) -1 -7.584081 -20.137696 8.019799 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=588) -1 -12.868042 28.637125 -10.278759 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=588) -1 -12.463921 28.296195 -9.450997 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=588) -1 -13.228247 29.495814 -9.937744 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=589) -1 10.660959 6.952307 -17.464993 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=589) -1 11.339429 6.666251 -18.118374 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=589) -1 11.235392 7.504177 -16.878036 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=590) -1 26.432824 10.205670 -2.437975 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=590) -1 26.925563 10.861747 -1.877621 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=590) -1 25.684615 10.794949 -2.715799 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=591) -1 7.770779 3.750213 -14.425454 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=591) -1 7.838360 2.813384 -14.716962 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=591) -1 8.194888 4.195518 -15.192529 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=592) -1 -10.383114 -12.195090 17.631299 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=592) -1 -9.937560 -11.598575 18.272378 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=592) -1 -10.915656 -11.523470 17.134598 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=593) -1 32.381968 5.122919 -3.329808 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=593) -1 31.488384 5.349561 -3.696711 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=593) -1 32.933648 5.276522 -4.109935 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=594) -1 29.470508 0.304628 -7.751091 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=594) -1 30.066856 -0.263016 -8.255601 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=594) -1 28.595601 -0.062927 -8.004245 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=595) -1 27.082084 12.711476 13.988663 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=595) -1 26.344158 12.160575 14.346741 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=595) -1 27.842852 12.132769 14.247742 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=596) -1 -23.280760 4.512330 -11.620729 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=596) -1 -23.968154 4.558510 -10.918505 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=596) -1 -22.925459 3.610291 -11.446306 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=597) -1 27.474800 10.444754 -8.780349 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=597) -1 28.302913 10.355842 -9.309519 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=597) -1 26.814465 10.436729 -9.506123 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=598) -1 -8.887184 11.987027 2.255585 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=598) -1 -9.053741 11.020386 2.165754 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=598) -1 -9.582814 12.191197 2.940592 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=599) -1 18.922551 13.707047 13.598206 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=599) -1 18.080344 13.787593 14.086070 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=599) -1 19.361916 14.549115 13.850174 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=600) -1 7.081588 -9.477826 9.668424 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=600) -1 7.866295 -9.124350 10.112603 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=600) -1 7.257294 -9.195075 8.739639 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=601) -1 6.661341 -14.078220 9.339397 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=601) -1 7.598144 -14.076093 9.031992 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=601) -1 6.788314 -13.852330 10.282935 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=602) -1 -7.196529 -14.692542 19.588925 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=602) -1 -7.392285 -15.254772 18.810117 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=602) -1 -8.049444 -14.772881 20.074763 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=603) -1 1.628626 -13.511192 1.155805 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=603) -1 1.151811 -14.301990 1.498112 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=603) -1 2.013179 -13.171591 1.992607 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=604) -1 -8.795925 -15.825077 -3.925577 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=604) -1 -9.186011 -16.223824 -4.740868 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=604) -1 -8.904958 -14.864694 -4.174787 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=605) -1 -7.610653 13.159910 6.159468 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=605) -1 -8.406373 13.732349 6.103018 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=605) -1 -7.305080 13.212321 5.224338 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=606) -1 11.312711 -10.433823 -6.120283 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=606) -1 11.223615 -10.200505 -5.172866 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=606) -1 11.026013 -11.384756 -6.072821 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=607) -1 -12.104301 7.283544 -9.926729 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=607) -1 -12.584892 7.607064 -9.130318 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=607) -1 -11.688167 6.474722 -9.538605 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=608) -1 -26.665879 20.989893 -0.734039 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=608) -1 -27.092579 20.510359 0.016280 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=608) -1 -27.385533 21.638117 -0.928885 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=609) -1 13.557794 19.421244 3.211699 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=609) -1 13.608290 20.271297 3.716790 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=609) -1 13.988200 19.718642 2.372928 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=610) -1 -2.008090 -14.497037 6.867197 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=610) -1 -2.756413 -13.926961 6.598225 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=610) -1 -1.610207 -14.707558 6.002078 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=611) -1 -3.272377 13.351128 5.582403 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=611) -1 -2.532269 13.264034 6.221887 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=611) -1 -2.768455 13.437852 4.744516 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=612) -1 -16.609286 27.552302 -8.495419 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=612) -1 -17.481362 27.520885 -8.038402 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=612) -1 -16.303141 28.440661 -8.195901 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=613) -1 25.423542 12.009843 6.162095 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=613) -1 25.700870 11.165658 5.710678 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=613) -1 25.767645 12.656207 5.527760 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=614) -1 12.816832 17.997457 6.762022 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=614) -1 13.796624 17.975493 6.848928 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=614) -1 12.618206 18.860274 7.155625 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=615) -1 -19.964105 14.017316 -8.310017 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=615) -1 -20.445064 13.207327 -8.619249 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=615) -1 -20.342286 14.073944 -7.400829 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=616) -1 -13.643152 11.836517 -3.081920 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=616) -1 -12.977472 11.115457 -3.130365 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=616) -1 -13.634087 12.014661 -2.111470 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=617) -1 31.528501 4.032325 11.016284 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=617) -1 31.381523 4.799102 10.406982 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=617) -1 31.857523 3.374434 10.361449 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=618) -1 -15.742172 -19.623718 -14.072844 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=618) -1 -15.022597 -20.265335 -13.934494 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=618) -1 -16.177611 -19.658318 -13.189579 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=619) -1 -9.264508 4.756282 11.474451 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=619) -1 -9.386329 5.706852 11.738693 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=619) -1 -8.762823 4.440401 12.258006 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=620) -1 -17.221633 22.639223 -14.960792 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=620) -1 -16.780279 23.107951 -15.708599 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=620) -1 -16.483207 22.042833 -14.690762 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=621) -1 -18.581094 -7.607128 -11.458295 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=621) -1 -17.665121 -7.718442 -11.832688 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=621) -1 -18.680439 -6.635577 -11.620540 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=622) -1 -19.017698 22.303534 -12.887786 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=622) -1 -18.437932 21.902216 -12.199953 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=622) -1 -18.390868 22.307345 -13.645062 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=623) -1 12.099043 -18.348016 -7.989278 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=623) -1 12.726780 -18.851693 -8.567003 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=623) -1 12.669939 -17.546335 -7.834804 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=624) -1 -13.258117 16.189802 8.063290 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=624) -1 -14.091032 16.181093 7.530019 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=624) -1 -13.444076 16.982146 8.621847 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=625) -1 31.440484 7.354518 14.954174 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=625) -1 32.338443 7.260805 14.550188 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=625) -1 31.273749 6.402664 15.163805 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=626) -1 8.823142 -8.731242 4.799672 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=626) -1 9.797063 -8.826668 4.944358 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=626) -1 8.833404 -7.832756 4.371956 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=627) -1 10.593323 14.579442 11.831694 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=627) -1 10.646864 14.337749 10.885428 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=627) -1 10.475408 13.693277 12.237044 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=628) -1 11.492168 -8.760816 5.230094 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=628) -1 11.777454 -9.066599 4.341120 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=628) -1 11.970706 -9.411712 5.794167 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=629) -1 -3.853379 6.391006 8.740205 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=629) -1 -3.055733 6.349570 9.289999 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=629) -1 -4.208738 7.273728 9.005778 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=630) -1 23.779270 -13.319104 -4.724793 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=630) -1 24.179450 -13.089873 -5.609740 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=630) -1 23.289689 -14.136525 -5.012491 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=631) -1 4.682556 4.633493 8.786488 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=631) -1 3.892722 4.165821 8.466072 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=631) -1 5.050022 4.980876 7.946750 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=632) -1 -10.958833 9.344195 -6.235198 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=632) -1 -10.038476 9.656807 -6.417057 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=632) -1 -10.832592 8.383918 -6.451979 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=633) -1 -19.055933 24.039248 -9.119202 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=633) -1 -18.780550 24.253032 -10.027404 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=633) -1 -19.234030 23.077026 -9.206372 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=634) -1 27.840801 -5.188480 10.912109 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=634) -1 28.623368 -4.933268 11.468850 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=634) -1 27.860255 -4.437881 10.277663 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=635) -1 -20.153041 23.627381 4.931595 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=635) -1 -20.176438 23.416859 5.904397 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=635) -1 -20.166772 24.599373 4.978981 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=636) -1 16.911889 -18.727570 -1.812528 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=636) -1 16.807680 -18.476805 -2.771868 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=636) -1 17.892881 -18.844927 -1.803531 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=637) -1 -20.403621 -13.592214 -13.979582 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=637) -1 -20.143520 -14.500535 -14.287223 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=637) -1 -19.533083 -13.139501 -14.163868 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=638) -1 -24.732610 -18.579200 1.367112 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=638) -1 -24.302745 -19.307953 0.866838 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=638) -1 -24.105967 -18.496907 2.116459 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=639) -1 32.719478 -6.396248 -4.216936 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=639) -1 32.823916 -6.432675 -5.178241 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=639) -1 31.935975 -6.995764 -4.104777 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=640) -1 -20.605835 3.631611 10.447386 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=640) -1 -21.485176 3.237145 10.706173 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=640) -1 -20.594307 3.347781 9.503325 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=641) -1 -16.015516 24.119533 -2.153169 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=641) -1 -16.715731 24.678511 -1.749054 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=641) -1 -15.791185 23.535850 -1.417395 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=642) -1 -24.036327 -23.046976 0.819415 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=642) -1 -23.622512 -23.452210 0.016977 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=642) -1 -23.752601 -23.674535 1.499723 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=643) -1 23.607999 11.472847 -13.211888 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=643) -1 23.598813 10.538062 -12.917232 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=643) -1 23.898662 11.911978 -12.382911 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=644) -1 -20.087085 8.452845 -6.905866 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=644) -1 -20.431509 9.007072 -6.164378 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=644) -1 -20.219279 7.559557 -6.501772 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=645) -1 -19.506722 21.293366 -9.526933 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=645) -1 -18.614412 21.281400 -9.968301 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=645) -1 -19.713181 20.320420 -9.649637 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=646) -1 -18.265006 -6.907534 13.463633 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=646) -1 -17.772953 -7.650550 13.070704 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=646) -1 -17.622970 -6.171114 13.326185 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=647) -1 -15.556145 30.723606 0.354515 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=647) -1 -14.840344 30.063221 0.503463 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=647) -1 -16.134853 30.494474 1.124195 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=648) -1 15.999985 15.278182 -3.164309 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=648) -1 16.201080 16.151312 -2.752462 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=648) -1 16.729484 14.745039 -2.781281 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=649) -1 -18.020688 9.182957 1.517464 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=649) -1 -18.273581 9.201997 2.471605 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=649) -1 -18.916416 9.128925 1.114240 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=650) -1 -18.554120 29.464691 -14.545539 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=650) -1 -18.755241 28.503691 -14.619501 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=650) -1 -19.177233 29.834872 -15.182727 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=651) -1 18.897198 1.962298 11.977462 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=651) -1 19.292854 1.951607 12.888797 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=651) -1 18.954933 1.007777 11.769411 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=652) -1 -1.676225 -17.751026 6.199516 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=652) -1 -2.127629 -18.595150 6.340166 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=652) -1 -1.564132 -17.437222 7.121178 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=653) -1 14.093351 -16.238956 4.556378 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=653) -1 14.002986 -15.270335 4.770668 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=653) -1 13.719036 -16.210599 3.638855 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=654) -1 11.533964 3.252318 8.719258 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=654) -1 12.048393 2.844974 9.449460 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=654) -1 11.492101 2.489860 8.098792 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=655) -1 22.346291 -10.563135 -3.260916 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=655) -1 21.808753 -10.909235 -4.020452 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=655) -1 22.508649 -9.653708 -3.605666 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=656) -1 -9.556196 28.113406 -8.203789 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=656) -1 -10.508685 27.927588 -8.094115 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=656) -1 -9.415238 27.779833 -9.116430 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=657) -1 18.163005 13.838239 -2.054480 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=657) -1 17.804366 13.043098 -2.518826 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=657) -1 18.733932 13.391791 -1.390977 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=658) -1 -25.487325 -17.725238 -8.270628 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=658) -1 -25.402659 -17.008993 -8.956958 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=658) -1 -24.627567 -17.614055 -7.819715 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=659) -1 1.006478 11.048411 7.279889 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=659) -1 1.789910 11.488616 7.651201 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=659) -1 1.278948 10.099201 7.405005 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=660) -1 -13.173210 11.620771 -12.000745 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=660) -1 -13.722168 10.896842 -12.411974 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=660) -1 -12.827465 11.100759 -11.227636 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=661) -1 30.881731 -0.046764 17.077808 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=661) -1 31.332034 -0.583684 16.385347 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=661) -1 30.143538 -0.657227 17.295168 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=662) -1 24.241848 -11.787243 -15.622238 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=662) -1 24.636679 -12.567620 -15.183307 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=662) -1 23.403935 -11.707555 -15.106714 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=663) -1 -12.460288 14.019962 -8.154689 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=663) -1 -13.446834 13.953106 -8.205919 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=663) -1 -12.261030 13.064842 -7.967140 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=664) -1 29.915073 5.524486 -4.234831 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=664) -1 29.669261 4.610206 -3.980842 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=664) -1 29.300547 5.667947 -4.988071 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=665) -1 -8.462489 -20.668229 2.290740 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=665) -1 -8.017809 -20.685418 3.181347 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=665) -1 -9.108210 -21.402506 2.446396 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=666) -1 25.894812 -6.066608 12.529708 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=666) -1 26.332628 -5.749806 13.336967 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=666) -1 26.584463 -5.817710 11.858148 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=667) -1 10.808933 -16.330855 -9.395442 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=667) -1 11.167684 -15.738007 -8.692776 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=667) -1 11.114836 -17.196645 -9.052749 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=668) -1 -25.248228 12.185765 4.571398 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=668) -1 -24.769744 11.517754 5.129801 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=668) -1 -25.976529 11.628379 4.245494 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=669) -1 -13.554130 3.861566 -9.886188 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=669) -1 -13.786730 3.003514 -10.289287 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=669) -1 -14.240957 4.435087 -10.300235 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=670) -1 12.644262 14.678263 0.772699 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=670) -1 13.487483 14.297768 1.069710 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=670) -1 12.277689 15.003805 1.625327 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=671) -1 13.974342 -16.301009 -2.853443 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=671) -1 14.100489 -16.960465 -3.578011 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=671) -1 12.987817 -16.267630 -2.852805 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=672) -1 -6.040293 -19.851376 -2.194320 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=672) -1 -6.278873 -19.594239 -1.282653 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=672) -1 -6.159189 -19.002570 -2.664740 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=673) -1 -15.018855 -23.055310 0.740152 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=673) -1 -14.037347 -22.989349 0.861781 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=673) -1 -15.291286 -22.532457 1.543617 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=674) -1 -12.974349 26.097032 -14.332472 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=674) -1 -11.993068 26.125955 -14.277692 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=674) -1 -13.084154 25.492855 -15.099933 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=675) -1 0.247503 -12.098018 -5.281915 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=675) -1 0.820260 -12.896266 -5.205686 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=675) -1 -0.629194 -12.524767 -5.102336 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=676) -1 -11.761245 13.679587 -3.760327 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=676) -1 -12.303719 14.476018 -3.927420 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=676) -1 -12.460916 13.015437 -3.594294 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=677) -1 10.921735 -18.063524 2.934682 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=677) -1 10.352894 -17.818245 2.170577 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=677) -1 11.698044 -18.422097 2.463339 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=678) -1 -16.364780 26.655708 -15.682440 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=678) -1 -15.818608 27.269169 -15.148393 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=678) -1 -17.260454 26.894239 -15.375202 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=679) -1 -7.880780 4.606603 18.328131 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=679) -1 -8.489249 5.349091 18.123847 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=679) -1 -8.525051 3.855833 18.278132 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=680) -1 -15.319855 16.332184 -4.156797 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=680) -1 -15.502801 15.658558 -4.855180 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=680) -1 -14.354663 16.204808 -4.057324 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=681) -1 -11.257549 16.654873 15.787856 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=681) -1 -10.304710 16.579192 16.020644 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=681) -1 -11.616337 15.887354 16.276898 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=682) -1 20.950340 15.311406 -9.355195 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=682) -1 20.495523 15.725635 -8.587248 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=682) -1 20.221286 14.806523 -9.749998 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=683) -1 -8.421038 -13.074260 -13.571185 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=683) -1 -9.090251 -12.386819 -13.753349 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=683) -1 -8.940012 -13.692163 -13.013685 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=684) -1 11.363823 -9.421462 -8.577698 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=684) -1 11.664117 -10.236009 -9.011045 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=684) -1 11.328913 -9.737974 -7.634103 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=685) -1 -22.139851 13.403838 10.460887 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=685) -1 -21.934650 13.689992 9.544362 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=685) -1 -22.692820 12.609781 10.263215 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=686) -1 -22.842161 0.467699 -12.921940 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=686) -1 -23.345911 -0.033094 -12.226121 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=686) -1 -22.490947 1.192176 -12.347109 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=687) -1 19.046146 19.064298 -4.782749 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=687) -1 18.701265 19.017784 -5.704702 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=687) -1 19.416083 18.143788 -4.719221 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=688) -1 -5.260249 12.086498 7.020088 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=688) -1 -4.728378 12.736867 6.506749 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=688) -1 -6.163509 12.447408 6.846647 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=689) -1 19.646059 -17.695053 -4.173255 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=689) -1 19.690489 -18.284601 -3.392715 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=689) -1 20.086988 -16.895759 -3.805850 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=690) -1 -29.643819 -23.714311 -7.846023 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=690) -1 -29.254260 -23.591522 -8.720253 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=690) -1 -29.950396 -22.804818 -7.639525 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=691) -1 10.049393 -1.078398 10.762673 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=691) -1 9.966514 -1.964832 11.148511 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=691) -1 9.362278 -1.142456 10.045933 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=692) -1 10.590969 12.133240 13.077201 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=692) -1 10.410785 11.485625 13.806155 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=692) -1 10.732346 11.481218 12.341703 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=693) -1 21.146849 -7.823279 -15.089613 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=693) -1 21.680960 -7.327408 -14.417220 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=693) -1 21.044382 -8.673052 -14.575467 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=694) -1 32.004214 6.811166 -1.240148 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=694) -1 32.205640 6.185235 -1.969415 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=694) -1 32.251727 6.247790 -0.466182 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=695) -1 18.182055 -12.011148 10.814308 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=695) -1 18.659525 -12.848207 10.611330 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=695) -1 18.708162 -11.385891 10.272106 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=696) -1 -5.111086 8.643786 9.531677 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=696) -1 -5.687757 8.593825 8.729543 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=696) -1 -5.789051 8.453698 10.222095 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=697) -1 -3.180251 7.540545 -6.943325 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=697) -1 -2.272495 7.187409 -7.136554 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=697) -1 -3.710567 6.818932 -7.359970 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=698) -1 -19.158332 24.104050 -6.404251 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=698) -1 -19.584276 23.211586 -6.402639 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=698) -1 -18.999430 24.190992 -7.374179 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=699) -1 18.680328 -7.359293 -16.222768 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=699) -1 18.338537 -8.281986 -16.167690 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=699) -1 19.596592 -7.511640 -15.885038 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=700) -1 34.238711 10.468328 -1.810172 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=700) -1 35.144179 10.187624 -1.626540 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=700) -1 33.740997 9.939929 -1.143100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=701) -1 -30.146640 -18.963116 -0.130823 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=701) -1 -29.437499 -19.568076 -0.455813 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=701) -1 -29.873935 -18.841371 0.787583 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=703) -1 -1.937200 0.866881 -11.131027 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=703) -1 -1.065303 1.317659 -11.287327 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=703) -1 -1.616285 -0.069728 -11.136074 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=704) -1 9.898478 12.857044 -13.319532 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=704) -1 9.890845 13.545766 -12.619591 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=704) -1 8.957740 12.672819 -13.418444 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=705) -1 15.457983 -17.480990 -6.635605 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=705) -1 14.810968 -16.918358 -7.132966 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=705) -1 14.826353 -17.874956 -5.980295 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=706) -1 -14.254616 14.140284 4.834012 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=706) -1 -14.498313 13.770265 3.949349 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=706) -1 -14.450702 13.332084 5.379413 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=707) -1 -11.788643 15.288997 -10.434985 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=707) -1 -11.949245 14.821551 -9.575484 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=707) -1 -11.124167 15.948792 -10.124765 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=708) -1 7.372719 -13.927153 4.388003 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=708) -1 7.451170 -14.684733 5.011613 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=708) -1 8.323553 -13.791469 4.179867 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=709) -1 18.128166 12.370366 11.353866 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=709) -1 18.387700 12.948588 12.110496 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=709) -1 18.458430 12.943881 10.610837 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=710) -1 -31.724549 -19.768710 -3.697001 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=710) -1 -32.202412 -20.485994 -4.152947 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=710) -1 -31.198630 -19.406012 -4.447828 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=711) -1 -7.879068 26.920709 -6.489634 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=711) -1 -7.404326 27.636543 -6.038359 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=711) -1 -8.525946 27.449489 -7.022985 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=712) -1 9.184317 -3.612718 3.030746 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=712) -1 9.450281 -2.687231 3.256231 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=712) -1 8.345433 -3.431796 2.559813 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=713) -1 0.143738 8.484804 -4.449766 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=713) -1 0.753213 8.469883 -3.668865 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=713) -1 0.478418 7.668382 -4.904533 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=715) -1 36.841104 -2.482692 4.836714 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=715) -1 36.334307 -2.550861 5.677562 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=715) -1 36.579483 -1.570358 4.566226 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=716) -1 16.653578 -5.733217 -15.437217 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=716) -1 17.280547 -6.425694 -15.769654 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=716) -1 16.618490 -6.018965 -14.487925 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=717) -1 -29.007795 22.643915 1.643944 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=717) -1 -29.469136 23.280163 2.208902 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=717) -1 -28.067476 22.904304 1.810812 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=718) -1 29.521547 2.917161 -3.369498 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=718) -1 28.584375 2.859748 -3.072607 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=718) -1 29.418186 2.570323 -4.292483 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=719) -1 -25.047170 -5.874905 -4.031864 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=719) -1 -24.660194 -5.889640 -4.944340 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=719) -1 -24.344832 -5.310372 -3.603529 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=720) -1 -7.090661 7.630827 11.175495 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=720) -1 -8.015815 7.482001 11.505509 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=720) -1 -6.891811 6.727482 10.851329 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=721) -1 31.405151 8.370533 8.038782 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=721) -1 31.487400 7.564792 8.584476 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=721) -1 32.188303 8.269563 7.451743 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=722) -1 29.422164 6.977483 11.487694 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=722) -1 29.579856 7.758877 12.052718 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=722) -1 29.156837 6.326634 12.180679 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=723) -1 -28.692393 -18.833779 -13.317996 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=723) -1 -29.189382 -17.997284 -13.198429 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=723) -1 -28.067754 -18.548874 -14.029615 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=724) -1 -18.726838 16.314019 -9.108483 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=724) -1 -18.193737 16.408864 -8.285145 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=724) -1 -19.209726 15.479931 -8.886866 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=725) -1 -8.289666 12.294593 13.557740 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=725) -1 -8.985739 11.763973 14.024453 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=725) -1 -7.777718 11.539401 13.161291 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=726) -1 -19.202761 16.515176 2.037853 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=726) -1 -18.758401 16.062647 1.279556 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=726) -1 -18.504529 16.393627 2.721342 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=727) -1 -18.474102 14.006866 12.440504 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=727) -1 -19.386335 13.648189 12.572602 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=727) -1 -17.975520 13.328411 12.967181 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=728) -1 -10.675450 12.498014 4.115819 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=728) -1 -10.395492 13.272259 4.651185 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=728) -1 -11.332804 12.093841 4.716059 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=729) -1 -11.616658 8.686468 6.762904 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=729) -1 -11.578791 8.483675 5.806559 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=729) -1 -11.295570 7.827690 7.126824 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=730) -1 -12.448151 19.360519 11.091833 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=730) -1 -13.109875 18.843892 10.578217 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=730) -1 -12.561164 18.989991 11.974766 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=731) -1 -10.307784 6.809071 -6.821769 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=731) -1 -9.434476 6.949613 -7.261724 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=731) -1 -10.652720 6.079014 -7.385403 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=732) -1 -12.176254 -21.572345 4.951104 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=732) -1 -13.120482 -21.602268 5.225126 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=732) -1 -11.736497 -21.623363 5.825918 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=733) -1 -3.206407 -2.901553 20.529857 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=733) -1 -3.536004 -2.365507 21.288757 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=733) -1 -3.381919 -2.270438 19.796626 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=734) -1 2.257074 12.006890 -3.994771 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=734) -1 1.698394 12.103029 -3.182765 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=734) -1 1.568400 11.990008 -4.677093 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=735) -1 -14.674831 31.623836 -4.347950 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=735) -1 -13.922647 31.076274 -4.019015 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=735) -1 -14.969309 32.001327 -3.477511 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=736) -1 30.352079 4.171033 0.252838 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=736) -1 31.169218 4.698211 0.468589 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=736) -1 30.735161 3.616041 -0.471378 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=737) -1 -5.601433 -18.943597 13.299118 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=737) -1 -5.337095 -18.082679 12.879819 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=737) -1 -6.295760 -19.211205 12.651518 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=738) -1 7.604010 -8.451554 7.200916 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=738) -1 6.887781 -7.987125 6.699870 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=738) -1 8.153660 -8.736454 6.426426 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=739) -1 -24.299701 10.239568 6.231852 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=739) -1 -24.358178 9.310816 5.884202 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=739) -1 -23.492469 10.125534 6.795742 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=740) -1 -10.385621 26.478223 -0.277260 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=740) -1 -9.510897 26.680945 0.132949 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=740) -1 -10.071011 25.920551 -1.032005 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=741) -1 -0.939696 -17.457348 -6.605894 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=741) -1 -0.554939 -18.232401 -7.039193 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=741) -1 -1.877229 -17.524792 -6.903932 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=742) -1 7.965499 1.876706 13.005871 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=742) -1 7.101337 1.467651 12.847583 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=742) -1 7.788286 2.795662 12.679183 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=743) -1 28.991398 10.882386 14.426092 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=743) -1 29.863973 10.943975 14.842172 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=743) -1 28.932524 9.902908 14.288995 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=744) -1 -9.622671 2.684585 17.767019 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=744) -1 -9.926502 3.032990 16.903012 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=744) -1 -9.567268 1.724673 17.560015 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=745) -1 1.081337 -5.486534 -7.740434 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=745) -1 1.150348 -4.722147 -7.108784 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=745) -1 2.042369 -5.541298 -7.995848 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=746) -1 19.677900 -14.536837 7.052557 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=746) -1 19.678606 -14.472315 6.063523 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=746) -1 20.629151 -14.284431 7.203652 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=747) -1 33.547914 -0.767980 5.463341 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=747) -1 34.262968 -0.531814 4.826178 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=747) -1 33.595809 0.020747 6.053255 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=748) -1 -20.332588 21.724378 -6.884129 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=748) -1 -21.271047 22.005991 -6.990408 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=748) -1 -20.126054 21.461540 -7.804159 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=749) -1 -10.999745 23.600385 -14.435588 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=749) -1 -10.251218 23.117781 -14.024230 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=749) -1 -10.633771 24.513877 -14.433438 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=750) -1 -9.726090 -2.557225 22.937170 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=750) -1 -9.312439 -1.686728 22.773193 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=750) -1 -10.574936 -2.303679 23.316977 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=751) -1 -29.151222 -12.427344 -8.215897 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=751) -1 -28.646526 -11.576127 -8.248074 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=751) -1 -28.973786 -12.748305 -9.127979 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=752) -1 -27.443895 -6.301682 -5.507306 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=752) -1 -26.680524 -6.340577 -4.891143 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=752) -1 -27.202113 -5.480297 -6.006177 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=753) -1 11.941117 1.852411 14.341508 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=753) -1 11.493308 1.543600 13.511696 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=753) -1 11.134831 2.124010 14.845685 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=754) -1 -1.521050 -2.138444 14.002133 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=754) -1 -1.814582 -1.918387 14.924184 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=754) -1 -0.852711 -2.836238 14.223779 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=755) -1 28.687152 5.561006 -11.422962 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=755) -1 28.129711 6.326549 -11.174219 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=755) -1 28.228016 5.273779 -12.246087 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=756) -1 -0.703020 12.877696 0.738649 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=756) -1 -0.303521 13.466859 0.076513 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=756) -1 -0.002521 12.181278 0.794714 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=757) -1 28.073049 -7.504866 -2.950529 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=757) -1 28.316905 -8.193521 -2.285777 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=757) -1 27.500264 -8.061364 -3.536786 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=758) -1 -11.314042 -22.518336 -6.983860 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=758) -1 -11.338906 -23.378588 -6.500208 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=758) -1 -12.038821 -22.642047 -7.612071 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=759) -1 -8.715940 -10.478899 19.218022 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=759) -1 -8.000329 -11.158975 19.156401 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=759) -1 -8.286144 -9.873577 19.874880 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=760) -1 3.104519 0.683601 -12.882877 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=760) -1 2.547002 0.170284 -12.258728 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=760) -1 2.985990 1.586037 -12.512966 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=761) -1 14.065639 21.600461 4.726807 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=761) -1 14.679829 22.279470 4.379306 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=761) -1 14.645778 21.178394 5.399218 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=762) -1 22.069663 -13.263063 -2.570678 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=762) -1 22.735621 -13.365987 -3.294138 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=762) -1 22.037463 -12.283081 -2.527210 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=763) -1 -17.274959 16.007129 3.951208 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=763) -1 -17.616470 16.350415 4.810115 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=763) -1 -17.246053 15.040380 4.189254 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=764) -1 9.711813 -16.982278 0.700322 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=764) -1 10.055695 -16.123390 1.057669 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=764) -1 8.856484 -16.641860 0.327777 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=765) -1 -6.780846 6.819198 16.174264 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=765) -1 -6.045851 6.893289 16.835049 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=765) -1 -6.582277 5.913062 15.835604 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=766) -1 -14.697955 28.087550 -13.983026 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=766) -1 -14.097170 27.306813 -14.130795 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=766) -1 -14.015713 28.723603 -13.653895 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=767) -1 13.749586 5.307474 -21.429782 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=767) -1 13.542165 5.945614 -20.720205 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=767) -1 13.218874 4.536473 -21.129079 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=768) -1 -7.550492 9.219307 15.294819 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=768) -1 -8.519758 9.048995 15.371513 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=768) -1 -7.217225 8.330289 15.578154 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=769) -1 -8.855785 19.193752 -5.124360 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=769) -1 -9.171907 18.716511 -5.921985 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=769) -1 -9.318211 18.667462 -4.428461 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=770) -1 -12.543582 -18.636839 8.014719 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=770) -1 -13.275246 -18.984972 7.457933 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=770) -1 -13.084508 -18.153117 8.688458 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=771) -1 -4.734399 -6.855607 -10.408983 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=771) -1 -3.990117 -6.814434 -9.747615 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=771) -1 -4.842154 -5.882839 -10.553229 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=772) -1 11.021359 7.011736 -11.851486 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=772) -1 11.101430 7.850180 -12.367037 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=772) -1 11.836267 7.085725 -11.305716 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=773) -1 -27.083770 23.735258 -2.661659 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=773) -1 -26.644765 24.085164 -1.845973 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=773) -1 -27.896222 23.362178 -2.244861 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=774) -1 -14.819557 11.860945 6.114135 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=774) -1 -13.912697 11.518487 5.890308 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=774) -1 -15.049249 11.194119 6.813322 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=775) -1 15.191530 5.710217 12.730736 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=775) -1 14.634025 4.976488 13.067084 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=775) -1 15.969543 5.189841 12.409615 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=776) -1 -26.488819 4.152041 3.713579 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=776) -1 -25.901096 3.631189 4.310060 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=776) -1 -26.746394 3.440884 3.083945 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=777) -1 -26.310968 22.407813 -4.865405 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=777) -1 -26.620879 23.050269 -4.169919 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=777) -1 -26.714280 21.587970 -4.471225 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=778) -1 9.472086 4.887091 -16.237888 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=778) -1 9.717717 5.730351 -16.706814 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=778) -1 9.990169 4.261322 -16.807198 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=779) -1 9.281212 -16.134710 -6.897676 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=779) -1 10.164794 -15.679770 -7.002593 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=779) -1 9.108403 -16.340461 -7.837370 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=780) -1 35.927515 7.496957 2.302684 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=780) -1 35.774716 8.190140 2.969904 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=780) -1 35.005285 7.378148 1.969957 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=781) -1 -6.364122 -3.487629 22.041351 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=781) -1 -6.955720 -2.897201 21.524668 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=781) -1 -5.704337 -2.829499 22.355887 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=782) -1 -27.441747 20.423911 -3.420517 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=782) -1 -27.005488 20.283490 -2.558340 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=782) -1 -28.379316 20.294320 -3.167508 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=783) -1 23.559287 9.223172 -0.936453 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=783) -1 24.290313 8.707684 -0.548679 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=783) -1 23.663334 9.014791 -1.886277 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=784) -1 6.860179 5.724684 9.964103 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=784) -1 6.001885 5.316083 9.709242 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=784) -1 7.001454 5.295571 10.834933 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=785) -1 -23.749773 3.167594 -6.738723 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=785) -1 -23.120845 3.045672 -5.970062 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=785) -1 -23.740884 2.240775 -7.075611 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=786) -1 3.368035 4.430111 5.158288 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=786) -1 2.974663 4.566946 4.266323 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=786) -1 4.296244 4.206648 4.885994 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=787) -1 7.983974 -15.830258 6.259617 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=787) -1 8.425677 -15.330394 6.984858 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=787) -1 8.773838 -16.267453 5.862008 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=788) -1 -13.913945 1.653072 -13.706937 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=788) -1 -14.150429 1.485888 -12.767511 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=788) -1 -14.719679 1.267759 -14.143477 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=789) -1 27.776031 -12.691279 -10.265203 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=789) -1 26.852766 -12.395039 -10.105657 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=789) -1 27.770083 -12.676589 -11.255732 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=790) -1 -12.007393 -15.996950 -10.925996 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=790) -1 -12.910683 -15.815319 -10.609567 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=790) -1 -12.219514 -16.539273 -11.730258 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=791) -1 -16.802440 -10.092257 -14.338684 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=791) -1 -15.846331 -10.131151 -14.150135 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=791) -1 -17.059776 -9.297446 -13.841837 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=792) -1 26.986524 3.334387 -2.494345 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=792) -1 26.746728 4.137278 -3.010646 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=792) -1 27.197748 3.759834 -1.628916 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=793) -1 1.626159 8.274900 -2.237831 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=793) -1 2.170548 7.441024 -2.204517 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=793) -1 1.129315 8.167663 -1.401620 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=794) -1 12.429425 8.115255 -15.802978 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=794) -1 13.088946 8.848020 -15.774930 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=794) -1 12.906644 7.440233 -15.272779 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=795) -1 7.616382 -15.472069 -0.180219 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=795) -1 7.912500 -14.559136 -0.384565 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=795) -1 6.686672 -15.430336 -0.442825 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=796) -1 37.923204 -4.398664 3.217600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=796) -1 37.720548 -3.651918 3.824194 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=796) -1 37.512456 -5.136895 3.684214 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=797) -1 -8.932684 -15.467133 -1.233661 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=797) -1 -8.635362 -15.477292 -2.173198 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=797) -1 -8.901878 -16.443410 -1.053168 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=798) -1 28.780811 5.367940 7.612036 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=798) -1 28.894481 6.255169 7.188405 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=798) -1 27.861603 5.175986 7.352924 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=799) -1 -12.134204 5.425731 -13.719953 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=799) -1 -11.200991 5.522744 -13.467913 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=799) -1 -12.026902 4.857975 -14.530695 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=801) -1 30.923545 -6.687425 2.186619 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=801) -1 30.345572 -6.918478 1.434412 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=801) -1 30.261828 -6.585360 2.902580 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=802) -1 -7.572979 20.836163 -3.445010 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=802) -1 -7.509685 20.096861 -2.783289 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=802) -1 -8.028357 20.318294 -4.167450 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=803) -1 34.931755 3.255240 5.585912 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=803) -1 35.354236 2.960010 4.742776 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=803) -1 35.072121 4.211267 5.527900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=804) -1 -8.983798 -23.141071 5.187362 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=804) -1 -9.545324 -23.051472 4.393404 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=804) -1 -9.594467 -22.833825 5.884986 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=805) -1 3.495076 -0.215738 -3.886147 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=805) -1 4.075012 0.354126 -4.443096 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=805) -1 2.716297 0.394480 -3.816771 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=806) -1 -26.420421 -1.699614 6.378443 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=806) -1 -27.076044 -2.373321 6.614689 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=806) -1 -25.600350 -2.264343 6.360114 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=807) -1 -12.046945 5.152669 13.734156 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=807) -1 -12.559861 5.108913 12.888108 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=807) -1 -11.713404 6.090821 13.635279 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=808) -1 6.393649 -0.771157 -11.289134 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=808) -1 6.683593 -1.551742 -11.820353 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=808) -1 6.246665 -1.219561 -10.422883 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=809) -1 -15.492371 29.835950 -7.644881 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=809) -1 -14.641370 29.720274 -7.149222 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=809) -1 -15.135442 30.326638 -8.425711 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=810) -1 13.883189 -0.046165 14.755836 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=810) -1 14.488573 0.470622 15.303499 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=810) -1 13.154254 0.599718 14.619344 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=811) -1 -10.712738 -17.180841 -8.820303 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=811) -1 -11.062158 -18.085611 -9.042899 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=811) -1 -11.166231 -16.679662 -9.544856 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=812) -1 -19.363436 -21.848424 1.179698 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=812) -1 -20.094222 -21.830572 0.525305 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=812) -1 -18.608411 -22.053126 0.585052 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=813) -1 -16.455065 -4.992162 12.967433 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=813) -1 -16.555176 -4.320228 12.253411 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=813) -1 -15.746431 -5.545979 12.577120 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=814) -1 -0.584027 -16.764693 -0.269247 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=814) -1 -1.194383 -17.456385 0.068961 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=814) -1 -0.241565 -16.409163 0.576700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=815) -1 -1.834192 -15.791603 -11.008140 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=815) -1 -2.094412 -14.932680 -11.394220 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=815) -1 -1.004639 -15.510144 -10.536627 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=816) -1 11.787297 9.123467 -13.330084 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=816) -1 11.685630 8.939921 -14.293764 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=816) -1 12.659318 8.646912 -13.195382 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=817) -1 22.637965 -2.808080 -18.308767 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=817) -1 22.514764 -1.863179 -18.500718 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=817) -1 21.868110 -2.975660 -17.723167 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=818) -1 -17.255403 21.295229 -11.027721 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=818) -1 -16.910277 20.470673 -11.447844 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=818) -1 -16.403757 21.692537 -10.733524 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=819) -1 26.451282 11.722340 8.691750 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=819) -1 26.911854 10.930579 8.293884 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=819) -1 25.944610 11.988432 7.880711 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=820) -1 -26.568820 0.252722 -0.279465 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=820) -1 -26.952660 0.912175 0.319534 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=820) -1 -27.023499 0.447304 -1.116932 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=821) -1 -6.040050 0.453632 22.543960 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=821) -1 -5.852049 1.305154 22.083248 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=821) -1 -7.017680 0.445514 22.498624 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=822) -1 -7.925659 7.384117 -8.065690 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=822) -1 -7.564707 6.692582 -8.656473 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=822) -1 -7.080376 7.766242 -7.721375 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=823) -1 -22.606786 3.433516 6.811986 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=823) -1 -21.839753 2.950481 7.201740 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=823) -1 -22.110593 4.211711 6.438292 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=824) -1 17.185648 20.088163 -3.034573 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=824) -1 17.904503 19.908860 -3.684525 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=824) -1 17.036875 19.179246 -2.700160 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=825) -1 11.270558 10.426689 11.144257 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=825) -1 12.193516 10.787880 11.111431 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=825) -1 11.430431 9.535241 10.776043 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=826) -1 25.104862 -5.921116 -15.052111 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=826) -1 25.265658 -5.314522 -14.289160 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=826) -1 24.996534 -5.241351 -15.764125 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=827) -1 -7.578099 25.363127 -8.734956 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=827) -1 -6.901321 24.735123 -8.350158 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=827) -1 -7.674780 25.947966 -7.941173 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=828) -1 -10.642105 13.447135 16.361060 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=828) -1 -9.674110 13.559309 16.479688 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=828) -1 -10.640548 12.589477 15.869990 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=829) -1 -16.224627 15.590665 14.852389 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=829) -1 -15.599069 16.272328 15.177668 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=829) -1 -16.738356 16.105004 14.203295 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=830) -1 -16.312603 30.167681 -13.201144 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=830) -1 -17.185907 30.015794 -13.639804 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=830) -1 -15.843722 29.356861 -13.504814 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=831) -1 -18.165581 4.589889 15.246741 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=831) -1 -18.344943 5.547123 15.258398 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=831) -1 -18.466836 4.356510 14.344048 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=832) -1 -23.844750 23.703338 2.150322 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=832) -1 -23.500873 24.207900 1.385250 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=832) -1 -23.026891 23.263479 2.461112 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=833) -1 34.964923 -2.562546 6.859430 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=833) -1 34.483200 -3.421813 6.798028 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=833) -1 34.344315 -2.000990 6.330530 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=834) -1 -8.694021 -4.969100 22.011230 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=834) -1 -9.180187 -4.190321 22.369579 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=834) -1 -7.773809 -4.638088 22.099728 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=835) -1 -31.545677 -17.591456 -1.956446 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=835) -1 -31.076488 -18.055459 -1.214434 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=835) -1 -31.835124 -18.381667 -2.467807 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=836) -1 -17.306229 11.987739 13.784624 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=836) -1 -17.854664 11.216383 14.049681 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=836) -1 -16.629732 11.520074 13.228492 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=837) -1 0.940813 -0.714467 11.233180 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=837) -1 0.323577 -1.340128 10.819802 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=837) -1 0.364398 0.110024 11.206695 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=838) -1 -18.981865 -0.491597 -1.630368 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=838) -1 -18.320911 -0.797315 -0.983156 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=838) -1 -18.549586 0.323319 -1.961383 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=839) -1 19.715931 16.349653 11.297072 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=839) -1 20.196668 15.550856 10.952944 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=839) -1 18.956099 16.358484 10.696835 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=840) -1 32.840355 9.005142 -0.035678 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=840) -1 32.489639 8.266123 -0.610440 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=840) -1 33.077192 8.440389 0.751705 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=841) -1 -9.737575 12.644095 -6.390278 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=841) -1 -10.542400 12.286135 -6.836366 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=841) -1 -9.104144 11.924042 -6.622637 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=842) -1 -14.052324 28.444917 0.617535 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=842) -1 -13.735349 27.976228 1.422865 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=842) -1 -14.920776 28.012360 0.491691 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=843) -1 8.973503 5.237978 14.491300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=843) -1 9.792500 5.688028 14.213651 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=843) -1 9.328849 4.420653 14.885140 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=844) -1 -22.922469 -12.580712 -14.396435 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=844) -1 -22.022668 -12.972196 -14.467106 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=844) -1 -22.737344 -11.843225 -13.783134 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=845) -1 6.988992 14.425777 -5.356149 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=845) -1 6.018889 14.307370 -5.223400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=845) -1 6.970423 14.867517 -6.242821 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=846) -1 13.513483 -16.211097 -10.336283 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=846) -1 13.590256 -16.109984 -9.353328 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=846) -1 12.547726 -16.098486 -10.434809 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=847) -1 -0.918257 0.940624 15.309812 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=847) -1 -0.113948 0.434676 15.044932 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=847) -1 -1.112298 1.363827 14.426413 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=848) -1 -24.758190 6.124488 3.063950 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=848) -1 -25.528851 5.547975 3.266042 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=848) -1 -24.794648 6.751979 3.802271 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=849) -1 10.137720 -13.996287 4.325162 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=849) -1 10.272133 -14.919234 4.652754 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=849) -1 10.440678 -13.500929 5.121642 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=850) -1 -9.500471 11.502330 -3.811812 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=850) -1 -8.606158 11.810025 -3.541610 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=850) -1 -9.683770 12.131124 -4.539989 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=851) -1 -24.350863 -26.801834 -4.751845 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=851) -1 -24.040339 -26.363901 -5.584507 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=851) -1 -23.568338 -26.613032 -4.183676 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=852) -1 -21.083821 22.852218 -11.168698 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=852) -1 -20.722060 22.158176 -10.572789 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=852) -1 -20.481527 22.725596 -11.940023 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=853) -1 -30.165160 -18.803902 -5.746242 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=853) -1 -29.426223 -18.535156 -6.352452 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=853) -1 -30.156047 -17.992897 -5.165348 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=854) -1 5.709239 0.798554 -13.372164 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=854) -1 5.917212 0.223698 -12.593324 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=854) -1 4.721018 0.683358 -13.371422 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=855) -1 -20.224262 23.150165 7.539414 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=855) -1 -20.744224 23.475685 8.319648 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=855) -1 -20.195892 22.193218 7.768016 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=856) -1 -17.891922 17.097708 -11.601210 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=856) -1 -17.337572 16.360549 -11.950890 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=856) -1 -18.141965 16.704182 -10.729611 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=857) -1 3.085141 -5.105781 -2.414508 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=857) -1 3.012824 -4.324339 -3.001220 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=857) -1 2.988235 -4.662549 -1.534655 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=858) -1 -5.640986 4.899993 19.764525 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=858) -1 -6.509188 4.795097 19.306140 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=858) -1 -5.240175 5.591101 19.195727 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=859) -1 7.597153 12.221489 -3.861968 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=859) -1 8.477954 12.373051 -3.433997 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=859) -1 7.481089 13.101020 -4.292973 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=860) -1 -11.672846 9.972602 -3.661935 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=860) -1 -11.620044 9.691370 -4.606862 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=860) -1 -10.864327 10.554042 -3.641480 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=861) -1 -12.193727 27.268361 -7.954734 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=861) -1 -12.828778 26.604204 -8.311596 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=861) -1 -11.812358 26.738651 -7.212848 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=862) -1 -11.960582 13.290167 -13.737959 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=862) -1 -11.532140 12.659551 -14.334104 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=862) -1 -12.392489 12.669812 -13.100901 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=863) -1 32.913748 -0.464846 12.990298 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=863) -1 32.856663 0.510716 12.981078 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=863) -1 33.782450 -0.583897 12.536501 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=864) -1 -14.856785 -21.381680 5.497966 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=864) -1 -14.933797 -20.661620 6.176500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=864) -1 -15.736457 -21.812623 5.648160 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=865) -1 1.825167 -13.194328 -1.486795 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=865) -1 1.801447 -13.348655 -0.508179 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=865) -1 1.213181 -13.913055 -1.771325 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=866) -1 -26.846732 -12.629138 -0.173240 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=866) -1 -25.955223 -12.499131 -0.583347 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=866) -1 -26.982964 -11.704056 0.156178 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=867) -1 9.454626 2.546841 15.207094 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=867) -1 8.918844 2.262899 14.431631 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=867) -1 8.893442 2.254162 15.937933 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=868) -1 -8.288409 -0.093822 12.469229 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=868) -1 -7.729675 -0.310485 11.681918 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=868) -1 -7.651133 0.462130 12.965579 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=869) -1 16.050853 20.262983 6.070363 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=869) -1 16.434041 20.058655 5.191281 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=869) -1 16.021311 19.369553 6.467006 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=870) -1 35.474996 -5.927671 0.285922 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=870) -1 34.929898 -5.810530 -0.517899 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=870) -1 34.856694 -6.435024 0.850144 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=871) -1 -13.035619 11.331579 14.571061 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=871) -1 -13.858015 11.829223 14.749193 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=871) -1 -13.402213 10.511367 14.177862 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=872) -1 -2.290932 -1.295657 16.416828 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=872) -1 -1.896147 -0.406775 16.343069 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=872) -1 -2.845599 -1.201079 17.209535 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=873) -1 -0.557614 -7.545105 -7.520008 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=873) -1 0.035704 -6.751801 -7.616830 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=873) -1 -0.131439 -8.148191 -8.149097 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=874) -1 -20.475332 9.154476 0.235741 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=874) -1 -20.842176 9.064539 1.157852 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=874) -1 -21.127612 8.621480 -0.248885 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=875) -1 -25.389192 22.107427 -7.377788 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=875) -1 -25.792049 22.266748 -6.489670 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=875) -1 -25.987488 21.433790 -7.727468 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=876) -1 13.640356 -11.093651 9.307401 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=876) -1 13.370209 -10.461660 9.995393 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=876) -1 14.371495 -11.562226 9.800878 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=877) -1 27.834514 1.251940 15.414575 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=877) -1 27.710289 0.268590 15.352639 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=877) -1 27.036524 1.528753 14.909183 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=878) -1 -17.344487 13.567957 5.045523 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=878) -1 -17.243364 12.642209 4.734737 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=878) -1 -16.977098 13.484805 5.951899 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=879) -1 -8.018757 22.607718 -1.326399 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=879) -1 -8.038649 21.838941 -0.698097 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=879) -1 -7.834566 22.103366 -2.157187 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=880) -1 -21.500644 8.938323 10.368639 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=880) -1 -21.183944 9.369640 11.200320 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=880) -1 -21.096596 8.049083 10.487668 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=881) -1 -26.611861 16.691030 -0.560094 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=881) -1 -26.523729 15.961107 -1.188511 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=881) -1 -25.820134 16.541764 0.007667 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=882) -1 24.899278 -12.024993 4.987550 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=882) -1 24.512955 -12.733025 4.411376 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=882) -1 24.656342 -12.396055 5.868437 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=883) -1 16.031920 3.900641 -21.695914 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=883) -1 16.510610 4.326503 -20.949094 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=883) -1 15.241261 4.489122 -21.740402 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=884) -1 10.724743 12.938043 -0.052134 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=884) -1 11.451686 13.584192 0.114242 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=884) -1 10.212078 13.062051 0.779546 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=885) -1 -15.342486 10.920866 12.374637 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=885) -1 -15.093920 11.143357 11.457907 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=885) -1 -14.714805 10.193070 12.565770 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=886) -1 -1.820352 -10.263775 15.044566 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=886) -1 -1.965216 -11.241229 15.074515 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=886) -1 -0.881749 -10.266598 14.724187 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=887) -1 21.716443 0.140886 15.721131 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=887) -1 21.823290 -0.650025 15.160630 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=887) -1 22.536289 0.137167 16.230961 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=888) -1 -10.942641 25.255355 2.122708 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=888) -1 -10.930520 25.722565 1.252830 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=888) -1 -10.116551 24.726756 2.021195 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=889) -1 25.716618 -13.491774 12.301444 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=889) -1 25.183002 -13.269977 11.516711 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=889) -1 25.520795 -12.725693 12.880176 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=890) -1 6.394865 3.392124 -10.017809 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=890) -1 6.130386 3.545165 -10.955018 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=890) -1 7.081036 2.698206 -10.161787 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=891) -1 -4.459430 -10.987248 14.995463 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=891) -1 -3.656354 -10.447584 14.826525 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=891) -1 -4.061440 -11.886425 14.933733 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=892) -1 -29.757574 -14.249846 -6.381481 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=892) -1 -29.659080 -14.985209 -7.032221 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=892) -1 -29.539083 -13.492563 -6.991075 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=893) -1 -6.534150 -0.231179 -13.157295 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=893) -1 -6.742756 0.550467 -13.703467 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=893) -1 -7.277114 -0.169944 -12.500178 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=894) -1 -18.006233 7.452396 14.768073 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=894) -1 -17.029451 7.358739 14.781595 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=894) -1 -18.170884 7.229659 13.816945 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=895) -1 25.260924 -10.172406 10.189193 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=895) -1 24.955647 -11.059689 10.465325 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=895) -1 25.267250 -9.708558 11.055931 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=896) -1 11.477475 6.271475 13.474194 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=896) -1 12.078813 6.821640 12.906901 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=896) -1 11.630674 6.755909 14.333356 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=897) -1 -14.078032 -15.227944 18.044057 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=897) -1 -14.057318 -16.045900 18.594956 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=897) -1 -13.304877 -14.756559 18.427895 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=898) -1 20.071941 -14.205755 4.389623 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=898) -1 19.851695 -13.268185 4.200631 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=898) -1 19.803017 -14.606225 3.521495 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=899) -1 9.326556 10.908073 3.179471 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=899) -1 9.348370 11.843212 2.899554 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=899) -1 9.958726 10.509030 2.555911 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=900) -1 -25.415536 -10.447108 -10.109354 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=900) -1 -25.519695 -11.330249 -10.541117 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=900) -1 -24.486771 -10.248181 -10.410474 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=901) -1 27.965237 5.807907 -6.145494 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=901) -1 27.703996 5.011082 -6.665926 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=901) -1 27.815190 6.500755 -6.833681 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=902) -1 -26.615228 -9.935611 0.362965 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=902) -1 -27.257249 -9.214504 0.291451 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=902) -1 -25.787558 -9.417685 0.523469 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=903) -1 34.053520 1.286018 7.171488 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=903) -1 33.515217 1.800877 7.805345 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=903) -1 34.395096 2.027296 6.606752 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=904) -1 -12.403251 19.557596 6.435044 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=904) -1 -11.511707 19.462197 6.050941 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=904) -1 -12.185264 19.842941 7.344238 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=905) -1 33.515240 -7.267287 1.766903 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=905) -1 32.589684 -7.010953 2.023408 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=905) -1 33.902091 -7.333029 2.675155 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=906) -1 -26.398937 23.017352 2.187579 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=906) -1 -25.472470 23.378738 2.275191 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=906) -1 -26.237932 22.143616 2.631220 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=907) -1 2.603637 -15.384915 10.690994 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=907) -1 2.018231 -15.496804 9.893832 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=907) -1 2.789686 -16.317974 10.886777 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=908) -1 -22.916816 13.111373 0.905006 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=908) -1 -22.208117 13.631563 0.459113 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=908) -1 -22.663599 12.210426 0.652952 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=909) -1 13.581614 -18.209191 -4.811984 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=909) -1 12.650756 -18.116877 -5.124911 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=909) -1 13.436091 -18.922912 -4.135228 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=910) -1 9.313934 -6.504109 8.103065 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=910) -1 8.622775 -7.160668 7.888069 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=910) -1 8.784279 -5.680590 8.126497 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=911) -1 -27.816611 -16.125223 -10.489984 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=911) -1 -27.787307 -17.124388 -10.569552 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=911) -1 -26.827064 -15.999210 -10.345269 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=912) -1 12.202323 7.568081 15.686600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=912) -1 13.046385 7.071930 15.830855 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=912) -1 12.551993 8.487450 15.793781 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=913) -1 -25.981832 24.281735 -0.272653 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=913) -1 -25.085396 24.620586 -0.076034 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=913) -1 -26.207576 23.862732 0.581993 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=914) -1 -1.752338 12.756780 3.368964 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=914) -1 -2.041570 11.873396 3.023952 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=914) -1 -1.391744 13.128253 2.530056 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=915) -1 19.241414 -17.210008 -9.012629 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=915) -1 19.829972 -17.229569 -9.798889 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=915) -1 19.693001 -16.528978 -8.473730 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=916) -1 -6.286219 10.841571 -5.406019 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=916) -1 -5.483583 10.563877 -4.890896 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=916) -1 -6.627616 11.525134 -4.781389 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=917) -1 24.133391 -12.808164 10.087566 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=917) -1 24.190931 -12.735358 9.104582 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=917) -1 23.495374 -13.550986 10.156802 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=918) -1 1.486974 -0.383398 -10.949808 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=918) -1 1.827668 -0.788696 -10.131689 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=918) -1 0.667444 -0.908075 -11.083813 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=919) -1 26.738914 -9.402022 -4.385148 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=919) -1 26.090292 -10.080585 -4.078328 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=919) -1 26.585234 -9.470014 -5.359490 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=920) -1 -10.998560 26.048346 -5.761906 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=920) -1 -10.215995 25.560712 -5.411658 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=920) -1 -11.560599 25.284429 -6.025285 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=921) -1 -21.721442 22.290309 3.208010 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=921) -1 -21.212059 22.760897 3.909376 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=921) -1 -22.241754 21.671228 3.770611 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=922) -1 -4.864990 -7.924771 20.963231 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=922) -1 -3.940024 -8.224429 20.788167 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=922) -1 -4.691005 -6.965695 21.115567 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=923) -1 30.207857 2.360068 16.029247 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=923) -1 30.551298 1.559782 16.500517 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=923) -1 29.305092 2.013166 15.802818 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=924) -1 -18.723529 10.753390 -7.693179 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=924) -1 -19.590787 11.077014 -8.042783 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=924) -1 -18.974338 9.815749 -7.517373 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=925) -1 12.628099 -17.261977 6.563381 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=925) -1 13.166160 -18.012302 6.858538 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=925) -1 13.189872 -16.919281 5.825220 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=926) -1 -20.564069 6.644510 -14.596446 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=926) -1 -20.032015 5.925577 -15.010447 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=926) -1 -21.461917 6.240427 -14.681273 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=927) -1 -13.560470 8.632970 -7.990868 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=927) -1 -13.525749 8.837223 -7.034299 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=927) -1 -14.405578 8.120091 -8.020576 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=929) -1 -30.015042 -24.701417 -5.359066 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=929) -1 -29.596961 -25.600685 -5.332959 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=929) -1 -29.871917 -24.499546 -6.317663 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=930) -1 23.665008 -7.810968 -16.395849 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=930) -1 22.742796 -7.826238 -16.069335 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=930) -1 24.064828 -7.168046 -15.768445 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=931) -1 -23.330676 25.138462 -0.137092 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=931) -1 -22.597663 25.767832 0.055569 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=931) -1 -23.376094 25.209499 -1.103881 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=932) -1 -15.471003 4.140892 13.063654 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=932) -1 -16.011897 3.724036 12.350495 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=932) -1 -14.705533 4.442932 12.518321 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=933) -1 -28.699147 18.394042 -0.454918 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=933) -1 -27.973430 17.723170 -0.506854 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=933) -1 -28.456093 18.825426 0.394138 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=934) -1 0.437367 -3.241498 -9.359951 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=934) -1 0.582921 -4.090765 -8.897005 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=934) -1 1.100866 -2.678308 -8.903669 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=935) -1 -9.222341 22.324263 -12.813669 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=935) -1 -8.744219 22.680465 -12.032449 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=935) -1 -10.059869 22.039150 -12.392351 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=936) -1 -25.859775 0.899593 7.133463 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=936) -1 -26.049447 1.251119 6.244929 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=936) -1 -26.068421 -0.051198 6.994978 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=937) -1 21.520968 15.073712 -1.797004 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=937) -1 20.699942 15.612147 -1.872755 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=937) -1 21.815399 15.312640 -0.906400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=938) -1 -28.328496 -23.481306 -3.628152 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=938) -1 -28.930134 -23.990070 -4.226060 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=938) -1 -28.997387 -22.886869 -3.209015 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=939) -1 24.319086 -0.969879 -12.579269 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=939) -1 24.986053 -1.329292 -11.965762 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=939) -1 23.494373 -1.319255 -12.178805 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=940) -1 23.778120 12.113495 12.150423 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=940) -1 22.802836 12.081047 12.332057 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=940) -1 23.802426 12.989146 11.687253 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=941) -1 3.252125 -2.023977 11.923003 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=941) -1 2.467653 -1.499654 11.640261 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=941) -1 3.618768 -2.258906 11.043676 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=942) -1 -25.937774 4.668758 -6.630447 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=942) -1 -25.176647 4.037037 -6.683791 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=942) -1 -26.649870 4.024898 -6.397311 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=943) -1 23.451300 16.077782 13.166889 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=943) -1 24.344464 15.654646 13.250688 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=943) -1 23.656434 16.973102 13.472274 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=944) -1 -3.387981 4.685103 16.681956 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=944) -1 -3.746630 3.768978 16.724729 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=944) -1 -2.580157 4.499010 16.131736 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=945) -1 -9.607077 -14.855241 -11.825651 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=945) -1 -9.165250 -15.006247 -10.959021 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=945) -1 -10.503805 -15.204081 -11.609764 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=946) -1 14.513878 6.171852 15.528161 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=946) -1 14.126113 5.328768 15.200860 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=946) -1 15.122009 6.376291 14.794655 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=947) -1 -4.789139 -4.079304 -10.774988 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=947) -1 -3.815405 -3.986017 -10.918681 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=947) -1 -5.023169 -3.116112 -10.726356 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=948) -1 -17.172121 1.748761 -17.186973 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=948) -1 -18.139268 1.762559 -17.072897 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=948) -1 -16.942820 2.658337 -16.888699 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=949) -1 22.329675 11.527189 -0.430460 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=949) -1 22.747623 11.719828 0.453856 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=949) -1 22.788842 10.661217 -0.606729 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=950) -1 -3.196162 -16.903238 -13.098935 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=950) -1 -2.627061 -16.691845 -12.323436 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=950) -1 -2.698367 -17.625707 -13.503567 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=951) -1 -24.051657 -5.410190 1.034998 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=951) -1 -24.081065 -4.643867 1.652330 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=951) -1 -23.175354 -5.778136 1.265571 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=952) -1 -8.462982 10.249362 -6.959242 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=952) -1 -7.654236 10.424343 -6.417992 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=952) -1 -8.134784 9.514728 -7.513840 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=953) -1 -21.155389 11.604209 -8.571932 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=953) -1 -21.330855 10.728534 -9.004938 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=953) -1 -21.855969 11.579322 -7.882344 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=954) -1 27.207015 -13.909117 -7.932763 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=954) -1 27.658132 -13.533986 -8.732930 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=954) -1 26.586270 -14.524689 -8.396699 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=955) -1 -12.250545 -19.328950 14.313355 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=955) -1 -11.994518 -20.119787 13.777331 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=955) -1 -11.918149 -18.627632 13.690400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=956) -1 20.735510 -17.008711 -11.364941 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=956) -1 19.899823 -16.589689 -11.726498 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=956) -1 20.982647 -17.508833 -12.186348 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=957) -1 3.412947 9.821643 -0.107365 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=957) -1 4.318206 9.517017 0.125169 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=957) -1 3.512010 9.901801 -1.080145 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=958) -1 26.771371 -11.250344 -1.370494 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=958) -1 26.609974 -12.152259 -1.060918 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=958) -1 26.136362 -11.198654 -2.123362 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=959) -1 -3.731117 -17.107194 9.905524 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=959) -1 -4.195816 -16.872448 10.749971 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=959) -1 -4.539989 -17.187350 9.322554 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=960) -1 3.811998 3.831256 -9.234584 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=960) -1 4.782482 3.707835 -9.327737 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=960) -1 3.724774 3.840969 -8.261303 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=961) -1 29.230931 -10.408197 -4.116647 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=961) -1 28.312501 -10.043660 -4.204941 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=961) -1 29.166606 -11.104138 -4.820162 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=962) -1 25.590748 10.095218 -10.841717 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=962) -1 24.826307 9.644150 -11.280596 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=962) -1 25.204869 11.004799 -10.776899 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=963) -1 -10.065576 -23.163470 -3.427618 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=963) -1 -9.137673 -22.844017 -3.382645 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=963) -1 -9.984282 -23.963608 -2.844573 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=964) -1 7.624472 4.424342 12.269859 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=964) -1 8.532358 4.568443 11.870967 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=964) -1 7.801218 4.867919 13.139650 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=965) -1 -20.393331 21.480910 1.002434 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=965) -1 -20.848869 21.628210 1.862449 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=965) -1 -19.533771 21.129378 1.319803 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=966) -1 -8.168985 -9.309238 -12.921813 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=966) -1 -7.581234 -8.508700 -12.892221 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=966) -1 -7.470234 -9.984551 -12.695472 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=967) -1 -6.661160 -17.608419 -3.796395 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=967) -1 -7.141883 -18.143340 -4.487142 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=967) -1 -7.329665 -16.889646 -3.692139 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=968) -1 -14.734530 4.283121 -13.895001 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=968) -1 -14.422352 3.349263 -13.929326 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=968) -1 -13.871215 4.747107 -13.931802 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=969) -1 -25.243232 18.083593 2.803955 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=969) -1 -25.167120 17.440370 3.554261 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=969) -1 -25.246875 17.434731 2.057390 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=970) -1 -10.300806 -25.419456 -2.068486 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=970) -1 -10.711499 -25.491409 -1.176789 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=970) -1 -10.972610 -25.909917 -2.595504 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=971) -1 1.145935 -15.739800 8.509037 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=971) -1 1.343077 -15.926562 7.563767 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=971) -1 0.212617 -16.053550 8.547917 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=972) -1 -9.287759 -14.927671 13.011884 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=972) -1 -9.603224 -15.418221 13.799057 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=972) -1 -8.493391 -15.475991 12.789590 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=973) -1 -15.573109 1.721873 18.411847 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=973) -1 -15.784703 0.799448 18.134915 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=973) -1 -15.389071 1.561023 19.367769 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=974) -1 32.242438 2.103510 9.178970 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=974) -1 31.931542 1.169175 9.123782 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=974) -1 31.606205 2.506303 8.525291 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=975) -1 3.680268 9.930313 -2.908186 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=975) -1 3.261181 10.689120 -3.378128 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=975) -1 2.894247 9.344543 -2.811736 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=976) -1 -15.216889 13.100378 15.185564 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=976) -1 -15.976911 12.620203 14.775102 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=976) -1 -15.592447 14.019376 15.141991 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=977) -1 36.642835 4.848505 2.047908 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=977) -1 36.541845 5.823428 2.126107 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=977) -1 36.112916 4.693267 1.230342 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=978) -1 -18.826986 4.095795 12.550830 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=978) -1 -18.113657 3.657558 12.021469 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=978) -1 -19.593113 3.907531 11.960076 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=979) -1 -14.273573 1.347208 20.782448 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=979) -1 -13.676115 2.083177 21.030836 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=979) -1 -13.618193 0.676771 20.504170 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=980) -1 -6.751665 -2.650450 -14.315154 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=980) -1 -6.306969 -2.456934 -15.154292 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=980) -1 -6.638945 -1.785046 -13.850232 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=981) -1 -28.080136 -18.055462 -7.311434 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=981) -1 -27.176535 -17.798043 -7.612795 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=981) -1 -28.595699 -17.310456 -7.706088 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=982) -1 23.589808 14.643088 -9.155484 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=982) -1 23.718727 14.798265 -8.195014 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=982) -1 22.631035 14.869127 -9.233406 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=983) -1 35.731667 -0.117847 3.969113 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=983) -1 35.602818 -0.093167 2.985242 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=983) -1 36.023643 0.816981 4.094299 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=984) -1 -19.550034 30.072888 -5.784139 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=984) -1 -18.587821 30.303600 -5.663697 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=984) -1 -19.847193 30.863630 -6.260715 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=985) -1 -1.100890 9.833649 -2.169965 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=985) -1 -0.979233 9.430039 -3.053793 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=985) -1 -0.843321 9.078211 -1.596780 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=986) -1 -26.182135 -3.140430 -12.200721 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=986) -1 -26.725736 -2.951035 -11.410791 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=986) -1 -25.932602 -4.081772 -11.997393 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=987) -1 6.602590 -10.085410 3.952230 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=987) -1 6.245168 -9.191570 3.734317 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=987) -1 7.488430 -9.809824 4.296292 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=988) -1 7.878199 1.050360 -14.930721 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=988) -1 8.377761 0.343018 -14.454002 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=988) -1 7.010025 0.959590 -14.458452 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=989) -1 -5.763777 8.638322 -7.080343 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=989) -1 -5.781845 9.438862 -6.518182 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=989) -1 -4.819281 8.387065 -7.001144 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=990) -1 -5.771619 -13.157345 -13.939167 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=990) -1 -6.740826 -13.181512 -13.704274 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=990) -1 -5.847951 -13.018635 -14.897965 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=991) -1 17.620629 4.788161 -19.643975 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=991) -1 17.428390 5.205294 -18.763742 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=991) -1 18.371574 5.334753 -19.925497 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=992) -1 -10.297744 17.685189 -6.972865 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=992) -1 -11.178375 18.031060 -6.700418 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=992) -1 -10.400011 16.745769 -6.669006 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=993) -1 23.006876 10.723920 6.408401 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=993) -1 23.793687 11.312590 6.470923 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=993) -1 23.475554 9.877624 6.169010 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=994) -1 29.776152 -4.007115 12.372995 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=994) -1 29.557897 -3.446589 13.156906 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=994) -1 30.492096 -3.446460 11.984024 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=995) -1 13.394552 7.669213 12.096357 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=995) -1 13.812500 8.459007 12.516137 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=995) -1 14.121543 7.014051 12.247045 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=996) -1 5.656318 3.433779 -12.667200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=996) -1 5.681620 2.485577 -12.945184 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=996) -1 6.362561 3.782080 -13.264991 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=997) -1 -16.120412 15.221948 -12.535479 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=997) -1 -15.430821 14.779391 -11.973356 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=997) -1 -16.512154 14.439227 -12.958684 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=998) -1 -12.424127 10.911513 5.528521 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=998) -1 -12.159627 10.229194 6.200462 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=998) -1 -12.264270 10.357336 4.715521 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=999) -1 -23.437953 11.112729 9.886065 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=999) -1 -23.211674 10.403991 10.523916 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=999) -1 -22.987273 10.742351 9.082263 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1000) -1 -2.868290 -6.498256 -8.540978 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1000) -1 -2.070586 -6.965637 -8.204385 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1000) -1 -2.897604 -5.751919 -7.894473 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1002) -1 -19.847154 1.664299 -16.080492 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1002) -1 -20.027215 0.699808 -16.237834 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1002) -1 -19.322346 1.563720 -15.234256 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1003) -1 -20.590892 -5.247729 -14.108525 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1003) -1 -19.999581 -5.322019 -13.324480 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1003) -1 -19.999041 -4.707341 -14.692157 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1004) -1 -8.630295 -15.346516 -9.291374 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1004) -1 -9.339162 -14.709182 -9.027177 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1004) -1 -9.080158 -16.187313 -9.051145 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1005) -1 10.868686 5.827931 9.036993 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1005) -1 10.067216 5.879768 8.477636 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1005) -1 11.147741 4.896542 8.839325 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1006) -1 -24.717544 -1.423073 0.688161 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1006) -1 -25.432134 -0.838435 0.319867 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1006) -1 -24.801494 -2.171605 0.047797 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1007) -1 -21.134474 8.807146 2.757149 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1007) -1 -21.528383 8.115789 3.348440 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1007) -1 -20.362787 9.060356 3.313825 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1008) -1 13.056137 -15.768999 2.101467 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1008) -1 13.573476 -15.091835 1.612603 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1008) -1 12.145496 -15.417087 1.961653 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1009) -1 -0.752210 -7.185109 18.615528 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1009) -1 -1.334587 -6.408712 18.823721 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1009) -1 -1.326050 -7.622838 17.938433 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1010) -1 -18.770788 -7.525388 16.015809 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1010) -1 -18.588182 -7.231570 15.085242 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1010) -1 -18.234601 -8.357624 16.005828 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1011) -1 -25.929730 -20.285061 -9.196568 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1011) -1 -25.754938 -19.352857 -8.923946 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1011) -1 -26.569479 -20.541471 -8.495427 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1012) -1 -27.092461 -2.602624 -9.616864 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1012) -1 -26.171629 -2.937828 -9.484674 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1012) -1 -27.347834 -2.508441 -8.657642 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1013) -1 4.662605 -7.222970 -1.628694 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1013) -1 5.420128 -6.644012 -1.375852 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1013) -1 4.104560 -6.537582 -2.083075 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1014) -1 -20.386520 -0.953198 -16.204407 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1014) -1 -20.914009 -1.239999 -15.419550 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1014) -1 -20.660280 -1.648020 -16.843904 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1015) -1 13.520625 0.974278 -18.970495 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1015) -1 12.700053 0.802126 -18.441085 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1015) -1 14.098467 0.282325 -18.540293 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1016) -1 36.139873 2.522087 3.277435 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1016) -1 36.432007 3.374867 2.861426 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1016) -1 35.995604 1.994837 2.459748 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1017) -1 20.948781 7.877617 -12.412438 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1017) -1 21.039881 6.896533 -12.365664 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1017) -1 20.490030 7.947670 -13.287619 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1018) -1 -2.639661 -16.745624 13.450610 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1018) -1 -2.578138 -17.733431 13.351496 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1018) -1 -3.523541 -16.623542 13.010749 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1019) -1 -22.343333 7.741366 -4.274967 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1019) -1 -21.700367 7.085376 -4.622452 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1019) -1 -23.161731 7.191718 -4.290945 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1020) -1 23.316043 11.882370 2.001057 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1020) -1 22.707536 11.847210 2.782101 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1020) -1 24.169958 11.766027 2.436784 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1021) -1 9.257884 -4.385506 -14.857420 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1021) -1 10.199909 -4.310862 -14.592366 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1021) -1 8.911907 -4.924254 -14.111823 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1022) -1 19.479726 -14.226052 9.829987 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1022) -1 20.411807 -14.490020 10.009638 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1022) -1 19.462425 -14.355810 8.854778 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1023) -1 -5.563110 3.254370 -10.949949 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1023) -1 -4.691251 3.475529 -11.375937 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1023) -1 -5.331143 2.344307 -10.636626 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1024) -1 20.665824 15.819123 13.767079 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1024) -1 21.626895 15.857810 13.592349 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1024) -1 20.321233 16.166685 12.910691 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1025) -1 21.678885 -14.261875 1.500217 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1025) -1 21.556456 -13.857152 0.631221 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1025) -1 20.752080 -14.538481 1.708451 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1026) -1 14.912163 -4.792145 15.762265 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1026) -1 15.731072 -5.151050 15.362158 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1026) -1 14.693827 -4.083646 15.118052 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1027) -1 12.725571 13.433826 14.199745 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1027) -1 13.380071 13.027929 13.576620 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1027) -1 11.906038 12.999471 13.863932 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1028) -1 -15.418174 15.895618 6.530894 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1028) -1 -16.008903 15.223623 6.953118 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1028) -1 -15.065188 15.339129 5.791955 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1029) -1 1.813880 7.613595 4.034597 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1029) -1 2.424411 7.579570 4.801290 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1029) -1 1.983791 6.729453 3.642121 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1030) -1 -18.039030 25.477232 -1.018824 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1030) -1 -18.735614 25.859588 -1.607712 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1030) -1 -18.618351 24.901908 -0.458335 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1031) -1 17.445325 10.633611 13.324580 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1031) -1 18.400312 10.389121 13.369909 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1031) -1 17.482322 11.203544 12.513067 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1032) -1 -17.712274 -14.473608 -16.366251 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1032) -1 -18.421771 -14.961545 -15.886486 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1032) -1 -17.700102 -13.647932 -15.826706 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1033) -1 -28.233916 -20.638951 -1.004183 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1033) -1 -27.593743 -20.309497 -1.678630 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1033) -1 -27.645546 -21.294543 -0.545067 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1034) -1 -22.281544 2.456053 -14.854879 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1034) -1 -22.531744 1.669504 -14.331500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1034) -1 -21.516142 2.111062 -15.353942 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1035) -1 0.265831 -15.306197 -2.411259 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1035) -1 0.028887 -15.867058 -1.627972 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1035) -1 -0.407500 -15.651009 -3.046580 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1036) -1 -15.817194 27.268931 3.780034 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1036) -1 -15.048848 27.143787 3.179054 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1036) -1 -15.341688 27.254611 4.642536 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1037) -1 5.922523 5.643801 6.526786 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1037) -1 6.847458 5.867784 6.747786 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1037) -1 6.061992 5.054033 5.749699 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1038) -1 -11.748088 26.057812 -11.153831 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1038) -1 -12.089880 26.970005 -11.140311 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1038) -1 -10.800320 26.224722 -10.939517 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1039) -1 12.377117 11.774496 -13.324614 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1039) -1 12.119298 10.825401 -13.231572 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1039) -1 11.477110 12.161172 -13.471161 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1040) -1 12.502310 3.339539 -19.948332 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1040) -1 12.944934 2.475263 -19.767879 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1040) -1 11.766673 3.276371 -19.298123 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1041) -1 -26.396449 0.112975 4.287739 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1041) -1 -25.404838 0.119339 4.272967 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1041) -1 -26.537637 -0.635436 4.907441 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1042) -1 -10.185889 -18.335412 -13.829158 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1042) -1 -9.804433 -19.193637 -13.600183 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1042) -1 -9.416303 -17.742109 -13.638537 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1043) -1 -10.197824 8.596743 15.496147 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1043) -1 -10.137146 7.810926 16.086165 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1043) -1 -10.669980 8.180571 14.729694 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1044) -1 -25.191193 12.164636 8.053315 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1044) -1 -25.036299 11.399545 7.457780 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1044) -1 -24.723530 11.848858 8.857819 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1045) -1 -22.774780 -5.955148 -12.580470 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1045) -1 -22.038121 -5.758943 -13.204917 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1045) -1 -22.367080 -6.701882 -12.084068 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1046) -1 -30.082572 -16.771744 -4.049934 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1046) -1 -30.351391 -15.832450 -4.173407 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1046) -1 -30.653719 -16.999853 -3.276735 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1047) -1 -8.295644 15.495420 3.296835 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1047) -1 -7.561859 14.846907 3.351919 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1047) -1 -8.648146 15.280601 2.406303 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1048) -1 -10.153870 -10.788623 -13.861315 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1048) -1 -10.780345 -10.530285 -13.149401 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1048) -1 -9.385432 -10.209649 -13.599818 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1049) -1 -1.470797 12.192300 7.265435 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1049) -1 -1.986426 11.674832 7.915993 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1049) -1 -0.574673 11.817115 7.407844 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1050) -1 13.584414 18.317125 -5.457554 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1050) -1 13.667285 18.581950 -4.512897 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1050) -1 14.047610 17.447696 -5.418739 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1051) -1 -23.252124 3.859151 2.893103 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1051) -1 -23.770326 3.443823 3.615916 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1051) -1 -23.722505 4.722201 2.825854 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1052) -1 -27.042711 -17.552044 -15.033904 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1052) -1 -27.280410 -16.606569 -14.931585 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1052) -1 -26.086220 -17.461965 -15.249681 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1053) -1 -7.739225 27.384549 -1.667414 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1053) -1 -8.069713 26.506195 -1.960224 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1053) -1 -7.556264 27.188844 -0.724265 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1054) -1 18.799523 -0.072380 -18.477692 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1054) -1 19.749471 -0.050396 -18.215898 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1054) -1 18.790236 0.678921 -19.115048 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1055) -1 -24.481484 16.204998 1.035435 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1055) -1 -24.504773 15.381477 1.580622 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1055) -1 -23.505396 16.339196 0.998106 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1056) -1 11.871214 -3.682285 -14.263165 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1056) -1 11.755617 -2.914106 -14.865644 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1056) -1 12.758859 -3.997296 -14.576317 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1057) -1 23.516084 14.531809 10.910363 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1057) -1 22.559301 14.485120 10.638315 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1057) -1 23.423255 15.189321 11.641792 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1058) -1 29.429998 9.605102 -10.487661 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1058) -1 30.109341 9.326965 -11.136599 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1058) -1 28.732563 8.942156 -10.687123 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1059) -1 -5.258426 2.681542 21.222568 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1059) -1 -5.500065 3.517100 20.748507 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1059) -1 -4.293082 2.722173 21.156318 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1060) -1 -18.935058 9.961097 14.701949 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1060) -1 -19.182331 10.079612 15.632148 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1060) -1 -18.603408 9.027482 14.728750 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1061) -1 -24.946515 4.785449 -9.451033 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1061) -1 -25.400162 4.995263 -8.608929 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1061) -1 -25.072916 3.799287 -9.454598 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1062) -1 9.135776 -14.226642 8.150773 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1062) -1 9.576352 -13.512392 7.634604 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1062) -1 9.943319 -14.762183 8.376311 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1063) -1 21.301092 -0.320539 -17.460361 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1063) -1 20.976884 -1.209278 -17.173186 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1063) -1 21.672173 -0.006975 -16.605199 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1064) -1 35.938731 -1.787715 0.000579 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1064) -1 36.620743 -2.502804 0.074558 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1064) -1 35.390924 -2.182257 -0.724170 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1065) -1 -17.808693 -18.264916 -15.279733 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1065) -1 -17.071167 -18.823921 -14.942075 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1065) -1 -17.306854 -17.709413 -15.920524 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1066) -1 -7.863914 18.820768 -1.614274 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1066) -1 -7.755893 17.911737 -1.235609 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1066) -1 -7.887747 19.338461 -0.777741 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1067) -1 16.459926 22.754321 3.794593 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1067) -1 16.669198 23.100851 2.915712 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1067) -1 16.702289 21.804040 3.678152 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1068) -1 2.285639 -10.547144 -1.916969 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1068) -1 3.192851 -10.440586 -1.555364 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1068) -1 2.146286 -11.507013 -1.740896 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1069) -1 -19.369086 4.262789 -15.154182 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1069) -1 -19.634845 3.542978 -15.772403 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1069) -1 -19.493501 3.777015 -14.299625 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1070) -1 9.353282 -5.556776 -10.078661 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1070) -1 10.296273 -5.501755 -9.808134 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1070) -1 9.178437 -6.504491 -9.875350 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1071) -1 -8.622750 23.888945 1.279684 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1071) -1 -8.479732 23.467370 0.404988 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1071) -1 -8.263647 23.172596 1.862310 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1072) -1 -13.459586 -7.796369 -14.848634 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1072) -1 -13.854130 -8.509186 -14.292689 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1072) -1 -12.801822 -8.349150 -15.346328 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1073) -1 -15.207119 12.642074 2.655941 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1073) -1 -14.756288 11.934228 2.122138 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1073) -1 -15.537076 13.197136 1.916161 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1074) -1 -11.516653 -19.243242 3.728067 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1074) -1 -11.863454 -20.094145 4.088190 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1074) -1 -11.107467 -18.888706 4.558045 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1075) -1 -19.107715 -3.570019 -15.649730 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1075) -1 -19.640925 -3.540607 -16.474078 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1075) -1 -18.971425 -2.618510 -15.495022 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1077) -1 28.804169 5.484808 13.683292 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1077) -1 28.610938 4.614044 13.271981 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1077) -1 29.551594 5.212983 14.275186 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1078) -1 -11.057290 -20.430573 9.425696 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1078) -1 -10.610871 -19.824944 10.070669 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1078) -1 -11.621088 -19.770110 8.960878 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1079) -1 24.422615 11.691537 -3.443231 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1079) -1 24.797945 12.363804 -4.067189 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1079) -1 23.529263 12.087397 -3.312545 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1080) -1 -22.999092 5.725270 -7.051197 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1080) -1 -23.228364 4.761449 -7.114847 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1080) -1 -23.567685 5.957075 -6.277396 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1081) -1 -7.982533 20.067523 -13.713215 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1081) -1 -7.601136 20.265486 -14.575797 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1081) -1 -8.455076 20.903843 -13.509430 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1082) -1 -27.658438 -18.720795 -10.821517 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1082) -1 -28.009238 -18.980303 -11.702022 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1082) -1 -27.126290 -19.499702 -10.592873 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1083) -1 -6.024475 23.557615 -7.606682 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1083) -1 -6.224882 23.172210 -6.731759 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1083) -1 -5.985621 22.753412 -8.161850 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1084) -1 14.863706 -0.877977 -17.568711 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1084) -1 14.785686 -1.213140 -16.649714 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1084) -1 15.676847 -1.380229 -17.841535 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1085) -1 -4.408223 -5.256146 21.295595 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1085) -1 -5.229516 -4.825935 21.629294 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1085) -1 -3.855424 -4.454053 21.155430 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1086) -1 6.436649 -9.484195 1.143123 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1086) -1 6.266192 -8.727989 1.758148 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1086) -1 6.691961 -10.165382 1.798434 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1087) -1 0.272046 9.338274 2.718804 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1087) -1 0.868959 8.667752 3.152121 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1087) -1 0.373377 10.058135 3.402194 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1089) -1 -17.275603 -22.215695 -0.570384 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1089) -1 -16.851177 -21.361522 -0.762746 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1089) -1 -16.524792 -22.679865 -0.122523 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1090) -1 -20.457146 8.669588 6.221271 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1090) -1 -20.987610 8.079263 5.622501 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1090) -1 -20.175011 7.998874 6.883692 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1091) -1 -26.597151 -19.642858 -2.962870 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1091) -1 -27.047930 -18.758856 -3.020083 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1091) -1 -25.758809 -19.342869 -2.528621 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1092) -1 -24.023938 -0.832400 -10.904492 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1092) -1 -24.060432 -1.712446 -10.472891 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1092) -1 -24.912458 -0.492739 -10.685837 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1093) -1 -15.094368 13.784054 -8.672299 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1093) -1 -16.011723 13.406978 -8.771981 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1093) -1 -14.868985 13.861959 -9.629872 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1094) -1 -13.020881 19.554548 -13.701177 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1094) -1 -12.139664 19.111439 -13.794934 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1094) -1 -13.571182 18.743355 -13.547794 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1095) -1 -27.511937 2.573314 -5.943777 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1095) -1 -28.312228 2.227402 -5.493192 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1095) -1 -27.412789 1.875602 -6.639910 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1096) -1 -22.881001 2.400670 10.983709 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1096) -1 -23.411444 2.398210 10.140268 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1096) -1 -23.490593 1.922432 11.563197 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1097) -1 27.401754 12.009832 -6.521048 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1097) -1 27.452202 11.571486 -7.406005 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1097) -1 27.418914 11.189338 -5.957232 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1098) -1 25.168110 -6.473376 -18.321801 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1098) -1 24.551016 -6.968426 -17.745621 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1098) -1 25.084501 -5.575616 -17.949357 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1099) -1 -23.128691 -25.248740 -6.624071 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1099) -1 -22.249280 -25.164201 -7.063298 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1099) -1 -23.066232 -24.490690 -5.999202 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1100) -1 -17.006082 30.804026 -5.625334 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1100) -1 -16.256177 31.176848 -5.106190 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1100) -1 -16.505131 30.477289 -6.410783 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1101) -1 -13.683633 -17.696013 19.135801 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1101) -1 -13.126628 -18.283454 19.659450 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1101) -1 -13.451301 -17.979080 18.220580 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1102) -1 -2.273118 -8.610635 20.449803 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1102) -1 -1.881231 -9.487651 20.354440 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1102) -1 -1.650544 -8.063022 19.926632 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1103) -1 25.522425 7.982405 -5.477415 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1103) -1 24.850943 8.282941 -4.830364 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1103) -1 25.228974 7.065682 -5.635262 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1104) -1 -10.034153 -16.751793 14.861973 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1104) -1 -10.467396 -17.169341 14.067403 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1104) -1 -9.174419 -17.233250 14.834997 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1105) -1 -29.109361 0.384983 -5.202363 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1105) -1 -28.681256 0.356743 -6.089279 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1105) -1 -29.581745 -0.489484 -5.243549 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1106) -1 -22.750461 11.990846 -6.346556 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1106) -1 -23.645054 12.323378 -6.197466 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1106) -1 -22.212239 12.789070 -6.149577 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1107) -1 35.090487 -0.660655 8.802284 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1107) -1 34.786048 0.043095 8.183218 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1107) -1 35.145090 -1.415868 8.170310 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1108) -1 27.273814 4.827913 -13.641495 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1108) -1 27.227400 4.106139 -14.290637 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1108) -1 26.422311 4.642012 -13.142765 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1109) -1 8.532122 -14.500906 -4.899392 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1109) -1 8.688395 -15.181711 -5.597854 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1109) -1 7.563367 -14.485002 -4.879051 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1110) -1 -20.909911 14.575626 -0.217597 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1110) -1 -20.628354 14.540489 -1.167392 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1110) -1 -20.009749 14.590035 0.192139 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1111) -1 -10.775373 19.308922 4.155885 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1111) -1 -10.716772 18.509833 3.601692 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1111) -1 -11.668434 19.631419 3.927315 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1112) -1 23.010713 -16.876587 7.720604 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1112) -1 22.668218 -16.571884 6.855393 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1112) -1 23.943778 -17.017097 7.519532 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1113) -1 -13.620522 26.966808 5.513072 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1113) -1 -13.425075 26.035137 5.788896 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1113) -1 -13.261216 27.448297 6.274288 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1114) -1 -17.407923 -22.248864 5.619755 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1114) -1 -17.812672 -21.731802 4.884379 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1114) -1 -18.078016 -22.925606 5.764110 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1115) -1 17.149338 -15.458299 7.586925 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1115) -1 18.091383 -15.344137 7.332672 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1115) -1 16.894834 -16.184531 6.968414 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1116) -1 16.033583 17.825762 -7.104996 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1116) -1 15.312721 18.440222 -6.875265 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1116) -1 15.717015 17.010659 -6.655954 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1117) -1 -7.179836 10.012267 12.703291 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1117) -1 -7.181097 9.607332 13.596802 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1117) -1 -7.065565 9.214944 12.147265 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1118) -1 10.502491 1.129767 12.192669 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1118) -1 9.577959 1.401917 12.390004 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1118) -1 10.316798 0.309005 11.669398 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1119) -1 -30.916812 -14.150789 -4.037250 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1119) -1 -31.430771 -13.334420 -4.150585 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1119) -1 -30.434958 -14.155719 -4.915050 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1120) -1 15.887155 -17.917055 0.505822 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1120) -1 16.648018 -17.335063 0.748934 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1120) -1 16.236071 -18.260901 -0.356726 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1121) -1 30.768902 6.024554 9.399969 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1121) -1 30.247722 6.460107 10.121590 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1121) -1 30.034895 5.787311 8.792393 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1122) -1 -11.623120 1.161234 -15.003598 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1122) -1 -11.600695 0.185106 -14.918604 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1122) -1 -12.473046 1.339369 -14.521222 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1123) -1 7.807364 -7.646628 -0.410289 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1123) -1 8.124332 -8.014271 -1.267176 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1123) -1 7.472792 -8.459794 0.015317 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1124) -1 33.597640 1.838196 -0.197023 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1124) -1 32.987741 1.330960 0.394696 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1124) -1 32.935738 2.155910 -0.858471 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1125) -1 -16.763709 27.698304 -0.053336 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1125) -1 -17.067229 26.797766 -0.315216 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1125) -1 -17.524424 27.958535 0.520094 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1126) -1 -7.998697 3.661906 13.675030 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1126) -1 -7.473943 2.869958 13.401730 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1126) -1 -7.441711 3.939621 14.449141 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1127) -1 6.316780 -2.126588 -8.900666 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1127) -1 6.142144 -2.947525 -8.356174 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1127) -1 5.715533 -1.513973 -8.411980 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1128) -1 33.831643 1.921291 11.625551 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1128) -1 33.436485 1.982598 10.734264 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1128) -1 34.440338 1.161545 11.499576 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1129) -1 28.953712 -2.060684 16.884869 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1129) -1 29.080599 -2.159313 15.902696 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1129) -1 28.027977 -1.739820 16.875873 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1130) -1 -7.012304 12.541014 -3.321279 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1130) -1 -7.050213 13.479863 -3.074316 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1130) -1 -6.202324 12.269395 -2.810987 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1131) -1 1.630556 -14.425842 -4.705671 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1131) -1 1.238092 -14.780401 -3.875804 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1131) -1 2.529714 -14.191625 -4.365295 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1132) -1 20.551935 9.519770 -10.373690 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1132) -1 20.651569 8.868426 -11.116959 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1132) -1 21.093966 9.056584 -9.695722 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1133) -1 -20.190492 6.476165 10.437428 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1133) -1 -20.032111 6.537375 9.458655 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1133) -1 -20.468361 5.534804 10.487395 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1134) -1 -28.171249 -5.134693 -8.742309 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1134) -1 -27.665695 -4.738351 -7.988828 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1134) -1 -28.121457 -4.406134 -9.382533 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1136) -1 -9.777098 14.732057 5.380360 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1136) -1 -9.253288 15.160107 4.656806 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1136) -1 -10.558442 15.326822 5.386724 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1137) -1 -4.255368 -9.836725 -10.509385 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1137) -1 -4.198100 -8.889691 -10.751376 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1137) -1 -4.583288 -9.725103 -9.568531 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1138) -1 -28.550255 -26.942903 -5.147323 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1138) -1 -28.066098 -27.657876 -5.607978 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1138) -1 -27.983249 -26.852812 -4.345290 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1139) -1 24.120412 12.416739 -10.685530 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1139) -1 23.150047 12.277576 -10.502134 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1139) -1 24.214773 13.288495 -10.220450 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1140) -1 -16.052056 18.445023 6.083642 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1140) -1 -15.921615 17.498320 6.347578 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1140) -1 -15.262788 18.547222 5.507411 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1141) -1 -11.826466 11.471937 -7.679672 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1141) -1 -11.936829 11.028567 -8.554625 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1141) -1 -11.686544 10.668972 -7.118569 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1142) -1 2.051118 -9.890301 3.689626 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1142) -1 1.568883 -9.668465 4.505972 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1142) -1 2.045491 -10.868481 3.723529 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1143) -1 -7.864523 13.550537 15.967004 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1143) -1 -7.355039 12.836002 16.440653 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1143) -1 -7.884444 13.126273 15.072540 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1144) -1 27.047485 -12.478807 -12.866606 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1144) -1 27.098515 -11.680278 -13.446055 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1144) -1 26.407797 -13.014750 -13.383069 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1145) -1 -14.483659 -25.507420 -0.472423 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1145) -1 -14.819938 -24.715944 0.009379 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1145) -1 -14.595425 -25.179274 -1.402009 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1146) -1 14.357208 -4.301935 -14.984826 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1146) -1 15.112441 -4.870548 -15.260777 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1146) -1 14.765744 -3.417123 -15.089051 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1147) -1 -15.198535 21.142991 -13.881529 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1147) -1 -15.742248 20.474524 -13.389690 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1147) -1 -14.389429 20.586924 -14.022170 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1148) -1 -6.280497 -19.783297 9.284447 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1148) -1 -6.771025 -19.476957 10.087960 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1148) -1 -6.080132 -18.888751 8.892278 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1149) -1 15.214951 20.156135 1.165250 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1149) -1 15.060044 20.507147 0.248179 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1149) -1 15.718233 19.330713 0.899582 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1150) -1 18.998358 -8.542596 14.994309 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1150) -1 19.299665 -7.689755 14.583503 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1150) -1 18.769223 -9.042962 14.198099 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1151) -1 21.491228 5.230079 -12.053745 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1151) -1 21.271400 5.274583 -11.094785 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1151) -1 21.530686 4.271442 -12.189125 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1152) -1 10.558482 10.195218 14.967078 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1152) -1 11.499089 10.251514 15.254148 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1152) -1 10.359838 9.272760 15.188637 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1153) -1 -6.692610 -12.182554 18.692246 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1153) -1 -7.070342 -12.603994 17.871306 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1153) -1 -6.630724 -13.008116 19.241548 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1154) -1 -5.632680 -16.547952 -11.845489 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1154) -1 -5.195422 -16.859454 -11.011198 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1154) -1 -4.906943 -16.753365 -12.478192 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1155) -1 1.833114 -16.200357 5.884757 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1155) -1 2.545042 -15.564019 5.613807 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1155) -1 2.266280 -17.039809 5.655650 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1156) -1 34.881930 4.233343 0.085092 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1156) -1 34.017018 4.675962 0.240246 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1156) -1 34.566500 3.317717 -0.090068 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1157) -1 10.600911 -14.660455 1.743718 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1157) -1 10.404353 -13.836707 1.252367 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1157) -1 10.326862 -14.384246 2.651719 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1158) -1 -4.708605 11.884387 -2.136196 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1158) -1 -4.071405 11.700457 -1.415717 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1158) -1 -4.419229 11.209623 -2.794412 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1159) -1 -2.921431 -19.389743 12.985239 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1159) -1 -3.017862 -19.700484 12.052958 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1159) -1 -3.863876 -19.447837 13.265776 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1160) -1 -17.513440 -9.617345 12.547889 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1160) -1 -18.466623 -9.552179 12.265417 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1160) -1 -17.168551 -10.145613 11.796731 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1161) -1 -14.147779 13.986190 -11.214990 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1161) -1 -13.281757 14.397847 -10.999519 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1161) -1 -13.830133 13.093906 -11.508226 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1162) -1 -27.737410 -20.703963 -7.172216 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1162) -1 -27.869558 -19.721396 -7.206039 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1162) -1 -28.683381 -20.982956 -7.173389 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1163) -1 29.457094 13.083569 0.831662 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1163) -1 30.149320 12.412485 0.640902 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1163) -1 29.982760 13.890752 0.879968 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1164) -1 8.154695 -3.995391 7.681724 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1164) -1 7.703482 -3.858185 6.807066 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1164) -1 9.079176 -3.784415 7.399234 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1165) -1 -18.413290 -20.931606 3.500809 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1165) -1 -18.937736 -20.091965 3.484250 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1165) -1 -18.786438 -21.343284 2.674478 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1166) -1 9.992512 14.597990 -11.199489 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1166) -1 10.019840 15.201141 -10.419815 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1166) -1 10.957616 14.372643 -11.250134 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1167) -1 -22.958099 -7.040913 10.007268 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1167) -1 -22.289223 -6.412825 9.627948 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1167) -1 -23.022276 -6.669997 10.906935 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1168) -1 25.496673 13.509992 -5.153287 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1168) -1 26.114559 13.107203 -5.801993 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1168) -1 25.051749 14.173244 -5.724029 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1169) -1 20.833954 -15.652684 -2.872613 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1169) -1 20.681912 -15.906263 -1.934644 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1169) -1 21.259338 -14.770319 -2.732308 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1170) -1 -18.493390 23.522903 2.702894 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1170) -1 -18.163425 22.630650 2.448020 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1170) -1 -19.004186 23.296679 3.508163 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1171) -1 21.495213 4.205358 14.191097 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1171) -1 20.826924 4.639641 13.617852 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1171) -1 22.299150 4.677787 13.919583 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1172) -1 0.366243 11.224418 4.579011 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1172) -1 0.645461 11.298700 5.512023 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1172) -1 -0.134430 12.047292 4.457349 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1173) -1 17.105555 7.499654 -15.001454 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1173) -1 18.041858 7.718869 -14.810417 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1173) -1 16.656075 8.214807 -14.501238 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1174) -1 31.468886 -2.110934 11.438183 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1174) -1 31.985827 -1.588460 12.093252 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1174) -1 31.532535 -1.527857 10.661194 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1175) -1 11.275489 3.312222 -17.492161 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1175) -1 11.388690 2.346373 -17.344811 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1175) -1 12.116076 3.645843 -17.105001 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1176) -1 18.539543 -16.136241 -12.578531 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1176) -1 18.574253 -16.135830 -13.566915 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1176) -1 17.574169 -16.216175 -12.440508 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1177) -1 -8.024282 -13.275916 16.669816 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1177) -1 -8.025427 -14.253102 16.763748 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1177) -1 -8.960264 -13.075991 16.873855 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1178) -1 34.357912 -6.897909 4.323697 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1178) -1 34.256978 -5.962434 4.036595 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1178) -1 34.155751 -6.815638 5.269964 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1179) -1 -29.073772 -4.348509 -4.323749 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1179) -1 -28.410093 -4.316468 -3.589814 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1179) -1 -28.798956 -5.189203 -4.746620 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1180) -1 16.606471 -17.780741 -9.165533 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1180) -1 17.588539 -17.651224 -9.126910 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1180) -1 16.399901 -17.711539 -8.208213 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1181) -1 -8.069657 -15.960936 17.238722 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1181) -1 -8.979980 -16.296416 17.364693 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1181) -1 -7.767506 -16.537658 16.504195 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1182) -1 0.830342 -0.677649 13.973976 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1182) -1 -0.030697 -1.146633 13.881352 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1182) -1 1.003947 -0.478963 13.024164 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1183) -1 -14.546372 9.550606 -12.980113 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1183) -1 -15.339675 9.242104 -13.439900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1183) -1 -14.172685 8.688283 -12.670420 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1184) -1 -16.625585 17.554369 10.566278 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1184) -1 -17.368731 17.257512 9.980997 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1184) -1 -16.990665 17.263289 11.433823 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1185) -1 -9.118721 -20.910785 -6.894070 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1185) -1 -9.831377 -21.516785 -7.204114 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1185) -1 -8.431423 -21.584519 -6.662024 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1186) -1 -4.144600 10.021471 -4.010403 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1186) -1 -4.017920 9.092647 -3.687614 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1186) -1 -3.337518 10.070638 -4.593821 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1187) -1 -7.394319 -22.690523 -5.859252 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1187) -1 -6.861731 -23.486284 -5.746669 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1187) -1 -7.415224 -22.343637 -4.936425 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1188) -1 -29.909627 20.044557 -2.105163 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1188) -1 -30.672232 19.524360 -2.399462 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1188) -1 -29.484447 19.386811 -1.488620 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1189) -1 -2.171713 -4.093646 -11.516596 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1189) -1 -2.414992 -4.675168 -12.279886 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1189) -1 -1.465698 -4.623296 -11.113316 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1190) -1 1.354467 -3.285679 -6.288211 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1190) -1 1.685974 -2.540044 -6.826328 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1190) -1 1.869087 -3.151231 -5.461100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1191) -1 -3.504682 10.562031 8.378767 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1191) -1 -3.993312 9.941466 8.966025 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1191) -1 -4.243497 11.173611 8.141451 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1192) -1 25.133474 -8.695926 12.497175 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1192) -1 24.435397 -8.642517 13.196530 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1192) -1 25.461869 -7.768303 12.529253 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1193) -1 -22.717621 5.047358 -14.261550 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1193) -1 -22.617717 4.117694 -14.588547 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1193) -1 -23.164314 4.865883 -13.405993 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1194) -1 14.855354 -20.410250 -1.055049 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1194) -1 14.883439 -20.104580 -0.138900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1194) -1 15.618920 -19.933511 -1.442594 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1195) -1 -24.536360 2.770426 5.019514 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1195) -1 -23.871778 2.979261 5.718544 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1195) -1 -24.254691 1.838982 4.816886 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1196) -1 -2.998914 3.316059 -11.838027 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1196) -1 -2.184389 3.747990 -12.135927 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1196) -1 -2.668852 2.408787 -11.653391 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1197) -1 22.522219 -4.161749 -12.451129 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1197) -1 22.793886 -4.159864 -11.498684 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1197) -1 22.205328 -3.236816 -12.524238 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1198) -1 24.216860 -9.961457 3.423410 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1198) -1 24.066342 -10.459737 2.605195 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1198) -1 24.529290 -10.691235 4.015748 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1199) -1 29.830614 -7.264345 -0.328322 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1199) -1 29.451061 -8.131355 -0.615883 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1199) -1 30.784521 -7.451027 -0.521098 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1200) -1 -14.075016 16.987328 15.804094 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1200) -1 -13.173216 17.364355 15.774816 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1200) -1 -13.863605 16.098603 16.184600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1201) -1 -23.359241 18.104302 6.031468 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1201) -1 -23.412061 17.518420 6.833400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1201) -1 -23.878580 17.521193 5.414208 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1202) -1 22.207223 -14.897735 9.567550 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1202) -1 22.239947 -14.467792 8.667743 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1202) -1 22.476183 -15.805449 9.294533 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1203) -1 21.534524 12.052243 -10.137148 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1203) -1 21.089576 11.180468 -10.228070 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1203) -1 20.794931 12.651426 -10.365484 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1204) -1 29.199360 2.284043 -5.919052 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1204) -1 29.415525 1.554657 -6.548033 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1204) -1 28.526429 2.762814 -6.453273 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1205) -1 22.321487 17.477746 -7.433517 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1205) -1 22.047000 18.399284 -7.195495 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1205) -1 21.440486 17.035639 -7.324351 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1206) -1 -15.945303 -0.850009 17.447077 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1206) -1 -16.331332 -0.484005 16.609821 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1206) -1 -16.585778 -1.603477 17.567793 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1207) -1 27.000530 -0.696505 -8.314057 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1207) -1 26.512377 -1.299012 -8.938449 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1207) -1 26.899029 0.141981 -8.855192 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1208) -1 -6.908807 -19.244819 0.420994 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1208) -1 -6.202986 -18.831225 0.966607 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1208) -1 -7.292152 -19.865001 1.080484 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1209) -1 -1.165616 -15.281459 15.140021 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1209) -1 -1.704568 -15.810911 14.493400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1209) -1 -1.102437 -15.922991 15.864907 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1210) -1 -19.315263 -4.998484 16.975099 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1210) -1 -20.234623 -5.179190 16.698695 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1210) -1 -18.913133 -5.881039 16.801893 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1211) -1 -11.757011 9.073715 3.739776 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1211) -1 -12.383215 8.771461 3.033963 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1211) -1 -10.960806 9.230497 3.190396 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1212) -1 24.970312 -11.248106 -3.411799 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1212) -1 24.763761 -12.071921 -3.925876 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1212) -1 24.040417 -10.962809 -3.228206 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1213) -1 21.956274 -0.099854 -14.794533 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1213) -1 22.176052 0.517847 -14.069704 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1213) -1 21.216640 -0.598192 -14.398732 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1214) -1 -7.612573 21.859774 2.783792 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1214) -1 -6.699559 21.661495 3.057095 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1214) -1 -8.092787 21.538140 3.598915 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1215) -1 27.752222 4.770261 -0.332036 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1215) -1 27.455525 4.951086 0.589349 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1215) -1 28.691877 4.522962 -0.147720 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1216) -1 6.309019 -3.472327 2.655878 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1216) -1 6.464115 -4.296188 2.135086 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1216) -1 5.472548 -3.170599 2.214365 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1217) -1 8.630255 -8.635942 -2.802335 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1217) -1 8.390784 -8.018107 -3.522930 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1217) -1 9.249405 -9.227787 -3.252863 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1218) -1 -4.369588 0.935679 -9.995548 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1218) -1 -3.484904 0.886124 -10.442590 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1218) -1 -4.071282 1.287220 -9.121205 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1219) -1 25.162721 -1.774405 -9.955077 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1219) -1 24.545120 -1.020325 -9.861334 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1219) -1 24.544178 -2.517533 -10.077437 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1220) -1 13.418659 -4.870906 18.008540 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1220) -1 12.810450 -4.231062 17.621862 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1220) -1 14.067889 -4.974751 17.271379 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1221) -1 -20.457742 -7.629381 7.621234 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1221) -1 -20.609623 -6.803330 8.139215 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1221) -1 -19.778644 -7.317881 6.992472 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1222) -1 -24.278694 -3.266618 6.280000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1222) -1 -23.789916 -2.704889 5.617658 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1222) -1 -23.561124 -3.902816 6.492874 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1223) -1 27.604612 7.517680 -13.652069 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1223) -1 27.509817 6.547427 -13.820466 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1223) -1 26.826259 7.831869 -14.183368 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1224) -1 -15.608697 6.855280 13.441850 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1224) -1 -16.352368 6.905890 12.799163 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1224) -1 -15.524288 5.875798 13.510286 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1225) -1 15.520883 17.588031 6.807450 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1225) -1 15.436830 17.488020 5.824771 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1225) -1 15.644361 16.650644 7.056321 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1226) -1 -27.588295 0.223554 -2.933642 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1226) -1 -28.239836 0.315398 -3.668262 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1226) -1 -27.508597 -0.743811 -2.889683 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1227) -1 13.308397 -13.429978 7.960935 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1227) -1 14.302881 -13.468489 7.939475 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1227) -1 13.223473 -12.650325 8.570260 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1228) -1 -9.676750 -14.730432 20.722488 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1228) -1 -10.104273 -14.399936 21.521287 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1228) -1 -10.401169 -14.633069 20.064014 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1229) -1 -22.796265 -18.451032 3.446844 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1229) -1 -23.001334 -19.231621 3.984294 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1229) -1 -22.526765 -17.815322 4.154485 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1230) -1 13.285684 4.211934 14.091379 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1230) -1 12.868108 3.325265 14.172007 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1230) -1 12.512112 4.745798 13.819784 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1231) -1 -20.740769 26.141419 -8.493508 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1231) -1 -20.108778 25.406492 -8.669581 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1231) -1 -21.578165 25.692475 -8.747753 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1232) -1 24.897598 -12.729648 -7.060835 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1232) -1 25.725821 -13.236750 -7.229202 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1232) -1 24.739357 -12.377637 -7.962701 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1233) -1 -24.582732 -8.144341 0.746420 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1233) -1 -24.705454 -7.168189 0.749446 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1233) -1 -23.640385 -8.183469 1.032294 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1234) -1 -11.607581 -10.099011 16.428672 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1234) -1 -11.901649 -9.510735 15.716270 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1234) -1 -11.271483 -9.437159 17.081328 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1235) -1 -14.431198 17.288463 -13.188251 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1235) -1 -15.087441 16.559993 -13.052202 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1235) -1 -13.604133 16.742383 -13.170624 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1236) -1 -22.606329 24.333769 -9.524686 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1236) -1 -23.411616 24.406551 -10.058593 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1236) -1 -22.028833 23.823383 -10.149539 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1237) -1 -16.683763 4.115325 -15.953758 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1237) -1 -16.083802 4.273104 -15.202011 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1237) -1 -17.545761 4.360004 -15.570451 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1238) -1 -13.117099 14.536206 16.501752 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1238) -1 -13.754971 13.855236 16.201531 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1238) -1 -12.294475 13.992821 16.538238 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1239) -1 8.254611 -1.483723 8.840948 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1239) -1 8.031661 -2.381022 8.507378 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1239) -1 8.107976 -0.961319 8.018355 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1240) -1 22.860133 1.343177 -12.520316 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1240) -1 23.473676 0.571619 -12.618255 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1240) -1 23.500848 1.972677 -12.093119 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1241) -1 5.764888 11.156574 -5.554995 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1241) -1 6.396565 11.509903 -4.876201 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1241) -1 6.324146 11.324656 -6.361196 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1242) -1 -23.301025 -20.532022 0.053114 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1242) -1 -23.689444 -21.369428 0.407631 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1242) -1 -22.434230 -20.893710 -0.259679 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1243) -1 -12.867655 29.719562 -12.762153 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1243) -1 -13.343537 30.550782 -12.539751 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1243) -1 -12.831949 29.307978 -11.865820 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1244) -1 -12.604476 -17.436974 -13.087406 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1244) -1 -11.735567 -17.750456 -13.449583 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1244) -1 -13.106508 -17.373002 -13.938044 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1245) -1 -14.283223 -17.573347 -15.178774 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1245) -1 -14.838820 -18.310393 -14.850186 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1245) -1 -14.912793 -17.143399 -15.797037 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1246) -1 -15.500098 19.755098 2.489925 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1246) -1 -14.760961 19.900965 3.111891 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1246) -1 -15.483959 18.771748 2.429992 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1247) -1 25.056195 -11.194222 13.660518 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1247) -1 24.319331 -10.870086 14.205129 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1247) -1 25.353916 -10.360103 13.242165 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1248) -1 -22.875202 6.814210 -9.486083 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1248) -1 -22.889850 6.456257 -8.559694 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1248) -1 -23.637645 6.314048 -9.849155 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1249) -1 3.093038 -13.510509 12.565930 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1249) -1 2.322861 -13.474091 13.176308 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1249) -1 2.830275 -14.282775 12.015487 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1250) -1 10.368802 -16.584317 5.136564 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1250) -1 10.510016 -17.166833 4.344302 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1250) -1 11.110194 -16.911629 5.696697 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1251) -1 -6.809619 13.144073 3.557806 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1251) -1 -7.471903 12.681664 2.995275 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1251) -1 -6.096611 12.476288 3.573118 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1252) -1 -10.481417 -18.613593 6.153627 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1252) -1 -11.155291 -18.511367 6.862129 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1252) -1 -9.776413 -19.075566 6.649160 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1253) -1 37.404218 -4.000016 0.526006 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1253) -1 37.702146 -4.150642 1.450908 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1253) -1 36.783282 -4.758974 0.427627 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1254) -1 -11.234529 -20.929391 12.343943 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1254) -1 -11.357347 -21.331702 11.465813 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1254) -1 -10.743688 -20.109490 12.082324 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1255) -1 23.520783 8.900439 -12.172245 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1255) -1 22.545032 8.740048 -12.161857 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1255) -1 23.804611 8.012799 -12.510375 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1256) -1 15.128480 17.456797 4.212062 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1256) -1 15.929740 17.550793 3.627168 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1256) -1 14.566481 18.159855 3.799641 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1257) -1 -30.855266 -14.997243 -10.679519 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1257) -1 -30.610847 -15.442030 -11.514883 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1257) -1 -30.276691 -14.211341 -10.716180 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1258) -1 10.967113 -17.883769 -5.555598 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1258) -1 11.282419 -18.256838 -6.417370 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1258) -1 10.208746 -17.353110 -5.888675 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1259) -1 13.499902 4.521381 -16.469934 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1259) -1 14.421967 4.191886 -16.370878 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1259) -1 13.451334 5.095069 -15.661728 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1260) -1 27.326156 9.609690 7.218053 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1260) -1 28.021737 8.955730 6.980039 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1260) -1 26.806925 9.597153 6.374380 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1261) -1 -10.118260 1.550869 20.311015 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1261) -1 -9.795262 1.964576 19.480959 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1261) -1 -10.788662 0.929887 19.928095 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1262) -1 -19.796088 24.106543 0.461052 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1262) -1 -20.154957 23.183893 0.431688 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1262) -1 -19.303633 24.029477 1.323985 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1263) -1 -6.817650 -15.335756 0.470054 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1263) -1 -7.617079 -15.265364 -0.085912 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1263) -1 -7.217663 -15.495537 1.350823 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1264) -1 -17.903404 16.592502 12.812570 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1264) -1 -18.807126 16.877885 13.009571 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1264) -1 -18.058980 15.626934 12.641007 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1265) -1 2.571946 -12.623201 3.633584 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1265) -1 3.538949 -12.394380 3.619990 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1265) -1 2.619764 -13.424297 4.199796 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1266) -1 -12.912008 -18.129495 16.596286 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1266) -1 -13.461564 -17.492913 16.083174 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1266) -1 -12.635133 -18.719861 15.841330 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1267) -1 -18.821421 9.382761 4.115171 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1267) -1 -18.061453 9.969859 4.335112 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1267) -1 -19.192415 9.238916 5.012084 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1268) -1 -7.536698 -20.891883 4.792966 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1268) -1 -7.853287 -21.810087 4.966883 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1268) -1 -7.658480 -20.507174 5.688654 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1269) -1 10.015549 -14.271209 -2.638678 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1269) -1 10.517730 -15.119220 -2.710209 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1269) -1 9.472908 -14.344923 -3.459720 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1270) -1 -10.398054 11.196425 14.857008 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1270) -1 -10.340314 10.258249 15.171407 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1270) -1 -11.379688 11.228838 14.692522 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1271) -1 -9.186037 26.640168 -10.483255 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1271) -1 -8.718041 26.437158 -11.325568 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1271) -1 -8.587267 26.162651 -9.854925 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1272) -1 -2.506270 -12.898751 14.779933 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1272) -1 -2.127388 -13.741024 15.124957 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1272) -1 -2.264128 -13.005703 13.825812 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1273) -1 3.610692 6.475141 -5.811259 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1273) -1 3.717500 5.551679 -6.145101 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1273) -1 2.632780 6.453897 -5.644929 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1275) -1 -15.131138 -19.469422 7.364759 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1275) -1 -15.648200 -18.632766 7.248414 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1275) -1 -15.051116 -19.463254 8.342492 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1276) -1 -23.695467 -6.279960 17.039563 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1276) -1 -22.798147 -6.455468 16.660523 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1276) -1 -24.213902 -6.196616 16.227878 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1277) -1 -19.328924 -15.962803 -14.764197 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1277) -1 -19.027346 -16.882676 -14.937228 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1277) -1 -18.710200 -15.762736 -13.992993 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1278) -1 -26.609432 -26.869687 -3.208360 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1278) -1 -26.548485 -26.114724 -2.582528 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1278) -1 -25.758651 -26.756232 -3.691045 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1279) -1 8.771436 0.098898 -17.348366 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1279) -1 8.325406 0.522126 -16.583585 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1279) -1 8.559359 -0.841533 -17.179225 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1280) -1 26.999344 -10.261271 -14.406862 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1280) -1 26.645890 -9.411519 -14.039753 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1280) -1 26.663583 -10.172574 -15.331015 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1281) -1 -7.646421 20.025231 -11.001782 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1281) -1 -7.580746 19.896167 -11.977379 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1281) -1 -8.597536 19.801076 -10.878627 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1282) -1 -30.124121 -21.726761 -2.589495 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1282) -1 -29.504506 -21.375638 -1.903074 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1282) -1 -30.651792 -20.911859 -2.753592 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1284) -1 10.664310 14.273440 9.068117 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1284) -1 9.988473 14.921575 8.829881 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1284) -1 11.447822 14.644495 8.592460 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1285) -1 -23.804193 3.656198 -3.086528 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1285) -1 -23.160532 3.328841 -3.779440 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1285) -1 -24.565386 3.058732 -3.324890 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1286) -1 -20.722827 10.257988 12.620160 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1286) -1 -20.766537 11.235484 12.680980 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1286) -1 -20.078154 10.072548 13.338497 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1287) -1 -10.480593 -19.183021 1.290516 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1287) -1 -10.984086 -19.108429 2.150356 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1287) -1 -9.712114 -19.708632 1.640898 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1288) -1 11.261437 -16.661448 -3.042454 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1288) -1 11.098119 -17.197877 -3.848761 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1288) -1 11.247815 -17.369155 -2.359718 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1289) -1 33.158407 7.875798 6.035418 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1289) -1 33.569841 8.395798 5.304488 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1289) -1 32.421367 7.459146 5.535191 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1290) -1 13.780588 -13.689940 5.223901 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1290) -1 13.543962 -13.638631 6.172306 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1290) -1 14.333557 -12.884043 5.138760 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1291) -1 16.798781 22.919353 6.544099 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1291) -1 16.739233 23.051388 5.577073 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1291) -1 16.588931 21.966998 6.607926 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1292) -1 -10.154494 -16.763714 -6.192155 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1292) -1 -10.933610 -16.208345 -5.940436 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1292) -1 -10.356824 -16.878895 -7.154819 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1293) -1 -25.162535 2.124593 -9.476838 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1293) -1 -24.549354 1.605444 -8.911176 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1293) -1 -25.740519 1.405528 -9.806347 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1294) -1 -0.588695 -15.735866 4.777135 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1294) -1 0.312395 -15.856377 5.167794 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1294) -1 -1.025728 -16.534037 5.173319 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1295) -1 8.052028 1.353893 -10.795310 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1295) -1 7.350157 0.685676 -10.972459 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1295) -1 8.843569 0.778707 -10.859603 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1296) -1 -0.938734 -1.685427 -11.016881 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1296) -1 -1.515658 -2.379727 -11.419221 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1296) -1 -0.473747 -2.265331 -10.351880 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1297) -1 20.006144 10.786019 -14.732441 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1297) -1 19.621490 11.004033 -13.853030 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1297) -1 20.619115 11.553950 -14.832581 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1298) -1 -9.030374 -18.040381 -0.645930 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1298) -1 -8.178838 -18.404850 -0.285661 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1298) -1 -9.633951 -18.349124 0.077529 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1299) -1 19.072379 11.102555 -12.182212 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1299) -1 19.539405 10.480509 -11.581350 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1299) -1 18.140900 10.867441 -11.974404 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1300) -1 -1.491289 -16.432436 8.635908 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1300) -1 -2.340696 -16.688293 9.080438 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1300) -1 -1.823351 -15.679314 8.087905 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1301) -1 -8.686220 24.810760 -4.918989 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1301) -1 -8.263486 25.511317 -5.469321 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1301) -1 -8.010548 24.099308 -5.018666 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1302) -1 -21.762062 16.726273 1.215925 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1302) -1 -21.562171 15.982449 0.588400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1302) -1 -20.860617 16.775857 1.642163 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1303) -1 -10.002784 17.858505 -3.083469 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1303) -1 -10.047442 16.894278 -2.885056 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1303) -1 -9.227657 18.106413 -2.531600 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1304) -1 -18.691951 10.086616 -1.646323 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1304) -1 -19.366042 9.854709 -0.972636 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1304) -1 -18.053485 10.583733 -1.097483 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1305) -1 23.143320 -8.799645 14.296157 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1305) -1 22.390481 -8.389938 13.786983 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1305) -1 22.658901 -8.945862 15.149598 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1306) -1 -12.916973 29.797632 -3.239830 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1306) -1 -12.231012 29.465239 -3.874187 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1306) -1 -12.479205 29.499166 -2.397963 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1307) -1 -19.774568 6.556357 7.811284 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1307) -1 -20.250630 6.026565 7.130181 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1307) -1 -18.875326 6.581307 7.430070 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1308) -1 19.166621 16.332356 -2.346308 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1308) -1 18.792966 15.423238 -2.380779 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1308) -1 19.383621 16.456425 -3.305517 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1309) -1 14.303978 12.466633 16.204918 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1309) -1 15.130600 12.726095 15.743268 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1309) -1 13.649668 12.965859 15.664666 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1310) -1 8.014490 13.418730 -9.646738 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1310) -1 8.766009 13.299785 -9.014517 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1310) -1 8.512114 13.794053 -10.407774 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1311) -1 2.972778 -4.367569 16.532668 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1311) -1 3.913010 -4.389649 16.754551 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1311) -1 2.963357 -3.663169 15.841361 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1312) -1 32.698420 11.671089 -3.693779 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1312) -1 33.336914 11.253829 -3.068678 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1312) -1 31.892369 11.666953 -3.136456 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1313) -1 -10.732528 18.120074 -13.471888 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1313) -1 -9.918535 17.886103 -13.943824 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1313) -1 -11.157253 17.230556 -13.389012 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1314) -1 -10.538511 -22.391546 2.993672 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1314) -1 -11.180226 -22.674057 2.302191 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1314) -1 -11.180669 -22.074028 3.678107 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1315) -1 18.534353 -4.522672 -16.981196 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1315) -1 18.872287 -5.437146 -17.110969 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1315) -1 17.729832 -4.734731 -16.445711 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1316) -1 -21.205010 10.046486 -4.996340 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1316) -1 -21.703880 9.282963 -4.611664 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1316) -1 -21.940219 10.535196 -5.416787 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1317) -1 -12.382821 10.061401 -9.945969 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1317) -1 -12.991106 9.639411 -9.282992 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1317) -1 -11.915494 9.248923 -10.247610 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1318) -1 -20.974960 26.494401 0.043175 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1318) -1 -20.571139 25.617948 0.250271 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1318) -1 -20.681529 26.590508 -0.892177 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1319) -1 23.054589 -15.533442 -11.201117 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1319) -1 22.889259 -15.157445 -12.096483 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1319) -1 22.275894 -16.135790 -11.136287 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1320) -1 4.416413 13.453369 -5.013875 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1320) -1 4.789724 12.596010 -5.318855 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1320) -1 3.613879 13.128908 -4.552997 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1321) -1 -9.252412 14.406694 0.948784 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1321) -1 -10.165305 14.338747 0.598362 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1321) -1 -9.124121 13.491442 1.281032 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1322) -1 -23.518144 -3.065365 2.514037 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1322) -1 -23.964517 -2.382327 1.958442 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1322) -1 -23.378852 -2.519985 3.335783 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1323) -1 2.782349 -2.524163 14.536368 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1323) -1 2.216134 -1.712412 14.528993 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1323) -1 3.143564 -2.448930 13.612553 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1324) -1 -30.381258 -21.267565 -6.885770 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1324) -1 -30.469878 -20.332409 -6.581604 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1324) -1 -30.916170 -21.709269 -6.181712 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1325) -1 -12.571993 16.146173 -4.549694 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1325) -1 -11.889800 15.733074 -5.135236 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1325) -1 -12.574371 17.050905 -4.920401 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1326) -1 -2.269607 10.329748 2.292247 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1326) -1 -1.405380 9.871696 2.229018 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1326) -1 -2.462201 10.483185 1.343868 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1327) -1 -6.082100 21.641859 -9.615328 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1327) -1 -5.238104 21.164738 -9.667888 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1327) -1 -6.678443 20.972947 -10.048924 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1328) -1 -22.927636 -9.949922 -10.937946 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1328) -1 -22.338173 -10.534749 -11.470289 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1328) -1 -22.389285 -9.128168 -10.943751 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1329) -1 -12.099632 15.863712 -13.039315 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1329) -1 -11.948318 15.632057 -12.085447 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1329) -1 -12.047354 14.940275 -13.411514 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1330) -1 28.094070 -11.848636 -6.194419 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1330) -1 27.905914 -12.667311 -6.700877 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1330) -1 27.473243 -11.228673 -6.619909 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1331) -1 -22.578169 19.797209 8.299155 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1331) -1 -22.883713 19.510172 7.420615 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1331) -1 -21.675989 20.120062 8.088703 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1332) -1 17.271090 5.910763 -17.226049 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1332) -1 17.153761 6.550141 -16.483536 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1332) -1 16.905750 5.103160 -16.804457 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1333) -1 -13.014198 2.703843 18.207262 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1333) -1 -12.801672 3.056721 19.098059 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1333) -1 -13.973547 2.515086 18.323177 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1334) -1 -12.263632 15.911799 5.499568 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1334) -1 -12.445027 15.941246 6.464383 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1334) -1 -12.882230 15.194556 5.230946 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1335) -1 -27.721338 -17.178772 -2.749514 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1335) -1 -28.484621 -17.095429 -3.370279 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1335) -1 -27.850453 -16.349596 -2.234215 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1336) -1 -17.261812 -9.668972 15.238559 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1336) -1 -17.343159 -9.651766 14.256591 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1336) -1 -17.002967 -10.584771 15.389383 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1337) -1 28.662122 3.420860 -9.817574 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1337) -1 28.687045 4.226806 -10.393211 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1337) -1 29.611846 3.251400 -9.718902 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1338) -1 -2.390443 -18.602693 0.807770 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1338) -1 -3.320409 -18.476569 1.072303 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1338) -1 -2.378661 -19.535109 0.558155 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1339) -1 -23.537948 16.031597 7.803123 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1339) -1 -22.908622 15.280055 7.937139 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1339) -1 -24.310749 15.517749 7.466933 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1340) -1 31.620451 12.696946 -5.915413 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1340) -1 32.111472 12.374217 -5.119969 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1340) -1 31.981223 12.118153 -6.597735 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1341) -1 -11.866026 28.639707 -1.033362 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1341) -1 -12.617907 28.628007 -0.395270 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1341) -1 -11.393677 27.825468 -0.733832 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1342) -1 -6.079053 -10.848869 -12.364334 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1342) -1 -5.709733 -11.624157 -12.814394 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1342) -1 -5.333771 -10.555176 -11.812217 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1343) -1 -11.180569 28.633942 -4.923166 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1343) -1 -11.014361 27.689796 -5.160986 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1343) -1 -10.460584 28.746712 -4.246680 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1344) -1 -15.946551 4.101605 16.779934 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1344) -1 -16.796171 4.235486 16.304568 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1344) -1 -16.186043 3.377667 17.385396 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1345) -1 16.742988 17.590765 -1.918232 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1345) -1 17.690874 17.316930 -1.927068 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1345) -1 16.663455 17.808384 -0.946396 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1346) -1 33.762238 9.047791 3.651803 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1346) -1 33.111440 9.748340 3.401052 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1346) -1 33.516905 8.365826 2.978317 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1347) -1 -18.957667 26.801765 -14.694394 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1347) -1 -19.263026 25.952654 -15.095034 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1347) -1 -18.855306 26.511844 -13.764836 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1348) -1 -18.111499 6.647839 12.216891 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1348) -1 -18.345011 5.693953 12.362320 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1348) -1 -18.791104 6.852780 11.526354 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1349) -1 -7.586862 -21.799615 -3.327672 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1349) -1 -8.264052 -21.150809 -2.991346 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1349) -1 -6.782317 -21.333033 -2.977704 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1350) -1 -10.350296 -8.543421 18.229731 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1350) -1 -9.799836 -9.252543 18.637269 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1350) -1 -10.130375 -7.805917 18.852791 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1351) -1 26.132818 13.967438 10.492888 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1351) -1 26.230845 13.472177 9.659486 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1351) -1 25.185789 14.229438 10.438052 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1352) -1 22.324958 -15.524097 5.341830 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1352) -1 21.485659 -15.226412 4.922560 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1352) -1 22.370666 -14.850644 6.074716 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1353) -1 9.901226 12.499786 -2.539955 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1353) -1 10.137057 12.597745 -1.579217 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1353) -1 10.793144 12.248562 -2.883066 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1354) -1 14.721556 9.828580 13.382257 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1354) -1 15.700773 9.932513 13.411850 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1354) -1 14.499226 10.708576 12.966972 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1355) -1 11.043255 -6.194464 6.068157 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1355) -1 11.303629 -7.108529 5.814472 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1355) -1 10.509925 -6.394974 6.875464 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1356) -1 30.577594 -7.977316 -4.049577 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1356) -1 29.718565 -7.620458 -3.737378 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1356) -1 30.321256 -8.915853 -4.197917 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1357) -1 -1.951864 -13.481644 -4.582740 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1357) -1 -2.787939 -13.565952 -4.086396 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1357) -1 -1.648105 -14.417606 -4.561415 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1358) -1 11.538516 15.240554 3.210502 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1358) -1 12.355597 15.076846 3.761640 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1358) -1 11.391483 16.186377 3.495805 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1359) -1 20.938757 5.680617 -9.390815 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1359) -1 20.219152 5.789879 -8.746144 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1359) -1 21.423772 6.529296 -9.256246 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1360) -1 22.200087 -15.389594 -5.341382 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1360) -1 21.695171 -15.728468 -6.100396 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1360) -1 21.682085 -15.733191 -4.592012 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1361) -1 21.123247 12.552343 12.553132 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1361) -1 20.406222 12.948776 13.113886 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1361) -1 21.092002 13.214908 11.810811 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1362) -1 22.553992 -14.117156 -13.467280 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1362) -1 22.274524 -13.192690 -13.711885 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1362) -1 21.859742 -14.601552 -14.016148 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1363) -1 11.397775 0.623438 -17.302712 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1363) -1 10.425431 0.512521 -17.490810 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1363) -1 11.505839 -0.147406 -16.692775 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1364) -1 24.104503 -1.888981 -15.203858 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1364) -1 23.344923 -1.274296 -15.280336 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1364) -1 24.432605 -1.640025 -14.313336 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1365) -1 -19.659793 18.706081 -10.087372 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1365) -1 -19.284249 18.381791 -10.934362 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1365) -1 -19.513519 17.899235 -9.536206 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1366) -1 6.927970 -7.449373 -11.165817 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1366) -1 6.556450 -7.030109 -10.355041 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1366) -1 7.641314 -7.986424 -10.757095 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1367) -1 -7.438368 -17.493813 14.887804 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1367) -1 -7.317419 -17.020587 14.021630 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1367) -1 -6.801488 -18.229685 14.737622 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1368) -1 -6.685951 22.895518 -4.955853 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1368) -1 -5.829878 22.980767 -4.503780 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1368) -1 -7.049254 22.104626 -4.480963 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1369) -1 -26.453133 -24.430489 -1.957422 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1369) -1 -25.718447 -23.930134 -2.399956 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1369) -1 -27.202082 -24.127411 -2.528198 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1370) -1 12.043825 8.184949 9.725582 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1370) -1 12.585181 7.900315 10.499999 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1370) -1 11.654212 7.311414 9.476374 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1371) -1 -15.825264 13.618367 0.061079 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1371) -1 -14.949653 13.259826 -0.268279 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1371) -1 -16.341725 12.772593 -0.024463 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1372) -1 -6.607160 4.139622 15.919987 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1372) -1 -5.813945 3.579063 16.072042 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1372) -1 -6.949238 4.197342 16.840764 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1373) -1 21.329531 -9.009732 16.303396 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1373) -1 20.474648 -8.891765 15.824909 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1373) -1 21.037808 -8.924370 17.219541 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1374) -1 -17.834559 12.372001 -5.634609 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1374) -1 -18.030568 11.832971 -6.432573 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1374) -1 -16.867604 12.203573 -5.550045 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1375) -1 28.882183 -9.588641 -1.454214 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1375) -1 29.241282 -10.045666 -2.251352 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1375) -1 28.115128 -10.194671 -1.272643 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1376) -1 -10.371773 -21.652471 7.107547 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1376) -1 -9.538605 -21.121690 7.127862 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1376) -1 -10.701504 -21.432840 8.017063 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1377) -1 31.690379 2.975334 -1.792746 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1377) -1 30.905560 2.794105 -2.374362 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1377) -1 32.095760 3.703959 -2.324925 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1378) -1 -12.092453 20.801837 8.858820 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1378) -1 -13.062591 20.906230 8.746390 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1378) -1 -12.085470 20.357781 9.745687 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1379) -1 -2.034631 9.655270 -5.569503 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1379) -1 -1.179374 9.260385 -5.288949 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1379) -1 -2.383933 8.932839 -6.131931 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1380) -1 -26.970415 -4.465059 -2.635693 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1380) -1 -26.298665 -5.014546 -3.097667 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1380) -1 -26.408987 -4.068622 -1.934893 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1381) -1 -24.320366 -6.094077 19.668571 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1381) -1 -23.405656 -5.948670 19.932302 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1381) -1 -24.222422 -6.189128 18.692582 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1382) -1 -9.922114 17.121513 -9.552575 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1382) -1 -9.037326 16.724286 -9.471415 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1382) -1 -10.067701 17.394240 -8.608211 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1383) -1 -3.975534 -16.992431 -9.784610 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1383) -1 -3.125309 -16.597767 -10.072330 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1383) -1 -3.785946 -17.154371 -8.837794 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1384) -1 18.864687 7.647285 13.389224 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1384) -1 19.354218 8.492335 13.281059 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1384) -1 18.014025 7.967059 13.723560 L H-HS-0.193300(PDBName=HG,ResName=GDS,ResNum=238) 0 -19.382182 -18.516898 -8.374360 H 1 944 1.0 2 1.0 3 1.0 4 1.0 2 3 4 5 1.0 6 1.0 7 1.0 5 6 7 8 1.0 9 1.0 8 9 10 1013 1.0 11 1.0 1015 1.0 12 1.0 11 12 13 1.0 14 1.0 13 14 15 1.0 16 1.0 15 16 17 1.0 18 1.0 22 1.0 17 18 19 1.0 20 1.0 21 1.0 19 20 21 22 23 1.0 24 1.0 23 24 25 1.0 26 1.0 25 26 27 1.0 28 1.0 29 1.0 27 28 29 30 1.0 31 1.0 30 31 32 1.0 33 1.0 32 33 34 1.0 35 1.0 46 1.0 34 35 36 1.0 37 1.0 38 1.0 36 37 38 39 1.0 44 1.0 39 40 1.0 41 1.0 40 41 42 1.0 43 1.0 42 43 44 1.0 44 45 1.0 45 46 47 1.0 48 1.0 47 48 49 1.0 50 1.0 49 50 51 1.0 52 1.0 151 1.0 51 52 53 1.0 54 1.0 55 1.0 53 54 55 56 1.0 56 57 1981 1.0 58 1.0 59 1.0 60 1.0 58 59 60 61 1.0 62 1.0 61 62 63 1.0 66 1.0 63 64 1.0 65 1.0 64 65 66 67 1.0 68 1.0 67 68 69 70 1.0 73 1.0 77 1.0 78 1.0 70 71 1.0 72 1.0 71 72 73 74 1.0 75 1.0 76 1.0 74 75 76 77 78 79 1.0 80 1.0 81 1.0 79 80 81 82 1.0 83 1.0 84 1.0 82 83 84 85 1.0 123 1.0 85 86 1.0 122 1.0 86 87 1.0 111 1.0 121 1.0 87 88 1.0 109 1.0 110 1.0 88 89 1.0 89 90 1.0 7167 1.0 90 91 1.0 107 1.0 108 1.0 91 92 1.0 99 1.0 106 1.0 92 93 1.0 98 1.0 93 94 1.0 97 1.0 94 3780 1.0 95 1.0 96 1.0 95 96 97 98 99 100 1.0 105 1.0 100 101 1.0 104 1.0 101 3783 1.0 102 1.0 103 1.0 102 103 104 105 106 107 108 109 110 111 112 1.0 113 1.0 112 113 114 1.0 120 1.0 114 115 1.0 118 1.0 119 1.0 115 116 1.0 117 1.0 116 117 118 119 120 121 122 123 124 125 1.0 126 1.0 125 126 1.0 126 127 128 1.0 129 1.0 128 129 1.0 129 130 131 1.0 132 1.0 131 132 1.0 132 133 134 1.0 135 1.0 134 135 1.0 135 136 137 1.0 138 1.0 137 138 1.0 138 139 140 1.0 141 1.0 140 141 1.0 141 142 143 1.0 144 1.0 143 144 1.0 144 145 146 1.0 147 1.0 146 147 1.0 147 148 149 1.0 150 1.0 149 150 1.0 150 151 152 1.0 153 1.0 152 153 154 1.0 1033 1.0 154 155 1401 1.0 156 1.0 157 1.0 158 1.0 156 157 158 159 1.0 160 1.0 161 1.0 159 160 161 162 1.0 163 1.0 164 1.0 162 163 164 165 166 1.0 167 1.0 166 167 1.0 167 168 169 1.0 170 1.0 169 170 1.0 170 171 172 1.0 173 1.0 172 173 1.0 173 174 175 1.0 176 1.0 175 176 1.0 176 177 178 1.0 179 1.0 178 179 1.0 179 180 181 1.0 182 1.0 181 182 1.0 182 183 184 1.0 185 1.0 184 185 1.0 185 186 187 1.0 188 1.0 187 188 1.0 188 189 190 1.0 191 1.0 190 191 1.0 191 192 193 1.0 194 1.0 193 194 1.0 194 195 196 1.0 197 1.0 196 197 1.0 197 198 199 1.0 200 1.0 199 200 1.0 200 201 202 1.0 203 1.0 202 203 1.0 203 204 205 1.0 206 1.0 207 1.0 208 1.0 205 206 207 208 209 1.0 210 1.0 221 1.0 209 210 211 1.0 212 1.0 213 1.0 211 212 213 214 1.0 215 1.0 216 1.0 214 215 216 217 1.0 217 218 1.0 219 1.0 220 1.0 218 219 220 221 222 1.0 223 1.0 222 223 224 1.0 225 1.0 224 225 226 1.0 227 1.0 240 1.0 226 227 228 1.0 229 1.0 230 1.0 228 229 230 231 1.0 232 1.0 236 1.0 231 232 233 1.0 234 1.0 235 1.0 233 234 235 236 237 1.0 238 1.0 239 1.0 237 238 239 240 241 1.0 242 1.0 241 242 243 1.0 244 1.0 243 244 245 1.0 246 1.0 264 1.0 245 246 247 1.0 248 1.0 249 1.0 247 248 249 250 1.0 251 1.0 252 1.0 250 251 252 253 1.0 254 1.0 255 1.0 253 254 255 256 1.0 257 1.0 256 257 258 1.0 261 1.0 258 259 1.0 260 1.0 259 260 261 262 1.0 263 1.0 262 263 264 265 1.0 266 1.0 265 266 267 1.0 268 1.0 267 268 269 1.0 270 1.0 288 1.0 269 270 271 1.0 272 1.0 273 1.0 271 272 273 274 1.0 275 1.0 276 1.0 274 275 276 277 1.0 278 1.0 279 1.0 277 278 279 280 1.0 281 1.0 280 281 282 1.0 285 1.0 282 283 1.0 284 1.0 283 284 285 286 1.0 287 1.0 286 287 288 289 1.0 290 1.0 289 290 291 1.0 292 1.0 291 292 293 1.0 294 1.0 298 1.0 293 294 295 1.0 296 1.0 297 1.0 295 296 297 298 299 1.0 300 1.0 299 300 301 1.0 302 1.0 301 302 303 1.0 304 1.0 317 1.0 303 304 305 1.0 306 1.0 307 1.0 305 306 307 308 1.0 309 1.0 313 1.0 308 309 310 1.0 311 1.0 312 1.0 310 311 312 313 314 1.0 315 1.0 316 1.0 314 315 316 317 318 1.0 319 1.0 318 319 320 1.0 321 1.0 320 321 322 1.0 323 1.0 336 1.0 322 323 324 1.0 325 1.0 326 1.0 324 325 326 327 1.0 328 1.0 332 1.0 327 328 329 1.0 330 1.0 331 1.0 329 330 331 332 333 1.0 334 1.0 335 1.0 333 334 335 336 337 1.0 338 1.0 337 338 339 1.0 340 1.0 339 340 341 1.0 342 1.0 347 1.0 341 342 343 1.0 344 1.0 345 1.0 343 344 345 346 1.0 346 347 348 1.0 349 1.0 348 349 350 1.0 351 1.0 350 351 352 1.0 353 1.0 366 1.0 352 353 354 1.0 355 1.0 356 1.0 354 355 356 357 1.0 358 1.0 362 1.0 357 358 359 1.0 360 1.0 361 1.0 359 360 361 362 363 1.0 364 1.0 365 1.0 363 364 365 366 367 1.0 368 1.0 367 368 369 1.0 370 1.0 369 370 371 1.0 372 1.0 376 1.0 371 372 373 1.0 374 1.0 375 1.0 373 374 375 376 377 1.0 378 1.0 377 378 379 1.0 380 1.0 379 380 381 1.0 382 1.0 392 1.0 381 382 383 1.0 384 1.0 388 1.0 383 384 385 1.0 386 1.0 387 1.0 385 386 387 388 389 1.0 390 1.0 391 1.0 389 390 391 392 393 1.0 394 1.0 393 394 395 1.0 396 1.0 395 396 397 1.0 398 1.0 402 1.0 397 398 399 1.0 400 1.0 401 1.0 399 400 401 402 403 1.0 404 1.0 403 404 405 1.0 406 1.0 405 406 407 1.0 408 1.0 412 1.0 407 408 409 1.0 410 1.0 411 1.0 409 410 411 412 413 1.0 414 1.0 413 414 415 1.0 416 1.0 415 416 417 1.0 418 1.0 431 1.0 417 418 419 1.0 420 1.0 421 1.0 419 420 421 422 1.0 423 1.0 427 1.0 422 423 424 1.0 425 1.0 426 1.0 424 425 426 427 428 1.0 429 1.0 430 1.0 428 429 430 431 432 1.0 433 1.0 432 433 434 1.0 435 1.0 434 435 436 1.0 437 1.0 447 1.0 436 437 438 1.0 439 1.0 443 1.0 438 439 440 1.0 441 1.0 442 1.0 440 441 442 443 444 1.0 445 1.0 446 1.0 444 445 446 447 448 1.0 449 1.0 448 449 450 1.0 451 1.0 450 451 452 1.0 453 1.0 471 1.0 452 453 454 1.0 455 1.0 456 1.0 454 455 456 457 1.0 458 1.0 459 1.0 457 458 459 460 1.0 461 1.0 462 1.0 460 461 462 463 1.0 464 1.0 463 464 465 1.0 468 1.0 465 466 1.0 467 1.0 466 467 468 469 1.0 470 1.0 469 470 471 472 1.0 473 1.0 472 473 474 1.0 475 1.0 474 475 476 1.0 477 1.0 481 1.0 476 477 478 1.0 479 1.0 480 1.0 478 479 480 481 482 1.0 483 1.0 482 483 484 1.0 485 1.0 484 485 486 1.0 487 1.0 493 1.0 486 487 488 1.0 489 1.0 490 1.0 488 489 490 491 1.0 492 1.0 491 492 493 494 1.0 495 1.0 494 495 496 1.0 497 1.0 496 497 498 1.0 499 1.0 503 1.0 498 499 500 1.0 501 1.0 502 1.0 500 501 502 503 504 1.0 505 1.0 504 505 506 1.0 515 1.0 506 507 1.0 508 1.0 509 1.0 507 508 509 510 1.0 511 1.0 512 1.0 510 511 512 513 1.0 514 1.0 515 1.0 513 514 515 516 1.0 517 1.0 516 517 518 1.0 519 1.0 518 519 520 1.0 521 1.0 520 521 522 1.0 523 1.0 532 1.0 522 523 524 1.0 525 1.0 526 1.0 524 525 526 527 1.0 528 1.0 529 1.0 527 528 529 530 1.0 531 1.0 530 531 532 533 1.0 534 1.0 533 534 535 1.0 536 1.0 535 536 537 1.0 538 1.0 547 1.0 537 538 539 1.0 540 1.0 541 1.0 539 540 541 542 1.0 543 1.0 544 1.0 542 543 544 545 1.0 546 1.0 545 546 547 548 1.0 549 1.0 548 549 550 1.0 551 1.0 550 551 552 1.0 553 1.0 562 1.0 552 553 554 1.0 555 1.0 556 1.0 554 555 556 557 1.0 558 1.0 559 1.0 557 558 559 560 1.0 561 1.0 560 561 562 563 1.0 564 1.0 563 564 565 1.0 566 1.0 565 566 567 1.0 568 1.0 574 1.0 567 568 569 1.0 570 1.0 571 1.0 569 570 571 572 1.0 573 1.0 572 573 574 575 1.0 576 1.0 575 576 577 1.0 578 1.0 577 578 579 1.0 580 1.0 591 1.0 579 580 581 1.0 582 1.0 583 1.0 581 582 583 584 1.0 589 1.0 584 585 1.0 586 1.0 585 586 587 1.0 588 1.0 587 588 589 1.0 589 590 1.0 590 591 592 1.0 593 1.0 592 593 594 1.0 595 1.0 594 595 596 1.0 597 1.0 607 1.0 596 597 598 1.0 599 1.0 603 1.0 598 599 600 1.0 601 1.0 602 1.0 600 601 602 603 604 1.0 605 1.0 606 1.0 604 605 606 607 608 1.0 609 1.0 608 609 610 1.0 611 1.0 610 611 612 1.0 613 1.0 626 1.0 612 613 614 1.0 615 1.0 616 1.0 614 615 616 617 1.0 618 1.0 622 1.0 617 618 619 1.0 620 1.0 621 1.0 619 620 621 622 623 1.0 624 1.0 625 1.0 623 624 625 626 627 1.0 628 1.0 627 628 629 1.0 630 1.0 629 630 631 1.0 632 1.0 642 1.0 631 632 633 1.0 634 1.0 638 1.0 633 634 635 1.0 636 1.0 637 1.0 635 636 637 638 639 1.0 640 1.0 641 1.0 639 640 641 642 643 1.0 644 1.0 643 644 645 1.0 646 1.0 645 646 647 1.0 648 1.0 661 1.0 647 648 649 1.0 650 1.0 651 1.0 649 650 651 652 1.0 653 1.0 657 1.0 652 653 654 1.0 655 1.0 656 1.0 654 655 656 657 658 1.0 659 1.0 660 1.0 658 659 660 661 662 1.0 663 1.0 662 663 664 1.0 665 1.0 664 665 666 1.0 667 1.0 685 1.0 666 667 668 1.0 669 1.0 670 1.0 668 669 670 671 1.0 672 1.0 673 1.0 671 672 673 674 1.0 675 1.0 676 1.0 674 675 676 677 1.0 678 1.0 677 678 679 1.0 682 1.0 679 680 1.0 681 1.0 680 681 682 683 1.0 684 1.0 683 684 685 686 1.0 687 1.0 686 687 688 1.0 689 1.0 688 689 690 1.0 691 1.0 707 1.0 690 691 692 1.0 693 1.0 694 1.0 692 693 694 695 1.0 696 1.0 697 1.0 695 696 697 698 1.0 699 1.0 700 1.0 698 699 700 701 1.0 702 1.0 703 1.0 701 702 703 704 1.0 705 1.0 706 1.0 704 705 706 707 708 1.0 709 1.0 708 709 710 1.0 711 1.0 710 711 712 1.0 713 1.0 718 1.0 712 713 714 1.0 715 1.0 716 1.0 714 715 716 717 1.0 717 718 719 1.0 720 1.0 719 720 721 1.0 722 1.0 721 722 723 1.0 724 1.0 732 1.0 723 724 725 1.0 726 1.0 727 1.0 725 726 727 728 1.0 729 1.0 728 729 730 1.0 731 1.0 730 731 732 733 1.0 734 1.0 733 734 735 1.0 736 1.0 735 736 737 1.0 738 1.0 752 1.0 737 738 739 1.0 740 1.0 741 1.0 739 740 741 742 1.0 750 1.0 742 743 1.0 744 1.0 743 744 745 1.0 746 1.0 745 746 747 1.0 748 1.0 747 748 749 1.0 750 1.0 749 750 751 1.0 751 752 753 1.0 754 1.0 753 754 755 1.0 756 1.0 755 756 757 1.0 758 1.0 762 1.0 757 758 759 1.0 760 1.0 761 1.0 759 760 761 762 763 1.0 764 1.0 763 764 765 1.0 766 1.0 765 766 767 1.0 768 1.0 777 1.0 767 768 769 1.0 770 1.0 771 1.0 769 770 771 772 1.0 773 1.0 774 1.0 772 773 774 775 1.0 776 1.0 775 776 777 778 1.0 779 1.0 778 779 780 1.0 781 1.0 780 781 782 1.0 783 1.0 787 1.0 782 783 784 1.0 785 1.0 786 1.0 784 785 786 787 788 1.0 789 1.0 788 789 790 1.0 791 1.0 790 791 792 1.0 793 1.0 806 1.0 792 793 794 1.0 795 1.0 796 1.0 794 795 796 797 1.0 798 1.0 802 1.0 797 798 799 1.0 800 1.0 801 1.0 799 800 801 802 803 1.0 804 1.0 805 1.0 803 804 805 806 807 1.0 808 1.0 807 808 809 1.0 810 1.0 809 810 811 1.0 812 1.0 816 1.0 811 812 813 1.0 814 1.0 815 1.0 813 814 815 816 817 1.0 818 1.0 817 818 819 1.0 820 1.0 819 820 821 1.0 822 1.0 826 1.0 821 822 823 1.0 824 1.0 825 1.0 823 824 825 826 827 1.0 828 1.0 827 828 829 1.0 830 1.0 829 830 831 1.0 832 1.0 843 1.0 831 832 833 1.0 834 1.0 835 1.0 833 834 835 836 1.0 841 1.0 836 837 1.0 838 1.0 837 838 839 1.0 840 1.0 839 840 841 1.0 841 842 1.0 842 843 844 1.0 845 1.0 844 845 846 1.0 847 1.0 846 847 848 1.0 849 1.0 865 1.0 848 849 850 1.0 851 1.0 852 1.0 850 851 852 853 1.0 854 1.0 855 1.0 853 854 855 856 1.0 857 1.0 858 1.0 856 857 858 859 1.0 860 1.0 861 1.0 859 860 861 862 1.0 863 1.0 864 1.0 862 863 864 865 866 1.0 867 1.0 866 867 868 1.0 869 1.0 868 869 870 1.0 871 1.0 886 1.0 870 871 872 1.0 873 1.0 874 1.0 872 873 874 875 1.0 884 1.0 875 876 1.0 877 1.0 876 877 878 1.0 879 1.0 878 879 880 1.0 882 1.0 880 881 1.0 881 882 883 1.0 884 1.0 883 884 885 1.0 885 886 887 1.0 888 1.0 887 888 889 1.0 890 1.0 889 890 891 1.0 892 1.0 905 1.0 891 892 893 1.0 894 1.0 895 1.0 893 894 895 896 1.0 897 1.0 901 1.0 896 897 898 1.0 899 1.0 900 1.0 898 899 900 901 902 1.0 903 1.0 904 1.0 902 903 904 905 906 1.0 907 1.0 906 907 908 1.0 909 1.0 908 909 910 1.0 911 1.0 924 1.0 910 911 912 1.0 913 1.0 914 1.0 912 913 914 915 1.0 916 1.0 920 1.0 915 916 917 1.0 918 1.0 919 1.0 917 918 919 920 921 1.0 922 1.0 923 1.0 921 922 923 924 925 1.0 926 1.0 925 926 927 1.0 928 1.0 927 928 929 1.0 930 1.0 940 1.0 929 930 931 1.0 932 1.0 936 1.0 931 932 933 1.0 934 1.0 935 1.0 933 934 935 936 937 1.0 938 1.0 939 1.0 937 938 939 940 941 1.0 942 1.0 941 942 943 1.0 944 1.0 943 944 945 1.0 946 1.0 945 946 947 1.0 948 1.0 947 948 949 1.0 950 1.0 949 950 951 1.0 952 1.0 966 1.0 951 952 953 1.0 954 1.0 955 1.0 953 954 955 956 1.0 964 1.0 956 957 1.0 958 1.0 957 958 959 1.0 960 1.0 959 960 961 1.0 962 1.0 961 962 963 1.0 964 1.0 963 964 965 1.0 965 966 967 1.0 968 1.0 967 968 969 1.0 970 1.0 969 970 971 1.0 972 1.0 987 1.0 971 972 973 1.0 974 1.0 975 1.0 973 974 975 976 1.0 985 1.0 976 977 1.0 978 1.0 977 978 979 1.0 980 1.0 979 980 981 1.0 983 1.0 981 982 1.0 982 983 984 1.0 985 1.0 984 985 986 1.0 986 987 988 1.0 989 1.0 988 989 990 1.0 991 1.0 990 991 992 1.0 993 1.0 997 1.0 992 993 994 1.0 995 1.0 996 1.0 994 995 996 997 998 1.0 999 1.0 998 999 1000 1.0 1009 1.0 1000 1001 1.0 1002 1.0 1003 1.0 1001 1002 1003 1004 1.0 1005 1.0 1006 1.0 1004 1005 1006 1007 1.0 1008 1.0 1009 1.0 1007 1008 1009 1010 1.0 1011 1.0 1010 1011 1012 1.0 1013 1.0 1012 1013 1014 1.0 1014 1015 1016 1.0 1017 1.0 1018 1.0 1016 1017 1018 1019 1.0 1032 1.0 1019 1020 1.0 1021 1.0 1020 1021 1022 1.0 1023 1.0 1022 1023 1024 1.0 1032 1.0 1024 1025 1.0 1026 1.0 1025 1026 1027 1.0 1028 1.0 1027 1028 1029 1.0 1030 1.0 1029 1030 1031 1.0 1032 1.0 1031 1032 1033 1034 1.0 1035 1.0 1051 1.0 1034 1035 1036 1.0 1037 1.0 1038 1.0 1036 1037 1038 1039 1.0 1040 1.0 1041 1.0 1039 1040 1041 1042 1.0 1043 1.0 1044 1.0 1042 1043 1044 1045 1.0 1046 1.0 1047 1.0 1045 1046 1047 1048 1.0 1049 1.0 1050 1.0 1048 1049 1050 1051 1052 1.0 1053 1.0 1052 1053 1054 1.0 1055 1.0 1054 1055 1056 1.0 1057 1.0 1061 1.0 1056 1057 1058 1.0 1059 1.0 1060 1.0 1058 1059 1060 1061 1062 1.0 1063 1.0 1062 1063 1064 1.0 1065 1.0 1064 1065 1066 1.0 1067 1.0 1080 1.0 1066 1067 1068 1.0 1069 1.0 1070 1.0 1068 1069 1070 1071 1.0 1072 1.0 1076 1.0 1071 1072 1073 1.0 1074 1.0 1075 1.0 1073 1074 1075 1076 1077 1.0 1078 1.0 1079 1.0 1077 1078 1079 1080 1081 1.0 1082 1.0 1081 1082 1083 1.0 1084 1.0 1083 1084 1085 1.0 1086 1.0 1090 1.0 1085 1086 1087 1.0 1088 1.0 1089 1.0 1087 1088 1089 1090 1091 1.0 1092 1.0 1091 1092 1093 1.0 1102 1.0 1093 1094 1.0 1095 1.0 1096 1.0 1094 1095 1096 1097 1.0 1098 1.0 1099 1.0 1097 1098 1099 1100 1.0 1101 1.0 1102 1.0 1100 1101 1102 1103 1.0 1104 1.0 1103 1104 1105 1.0 1106 1.0 1105 1106 1107 1.0 1108 1.0 1107 1108 1109 1.0 1110 1.0 1119 1.0 1109 1110 1111 1.0 1112 1.0 1113 1.0 1111 1112 1113 1114 1.0 1115 1.0 1116 1.0 1114 1115 1116 1117 1.0 1118 1.0 1117 1118 1119 1120 1.0 1121 1.0 1120 1121 1122 1.0 1123 1.0 1122 1123 1124 1.0 1125 1.0 1140 1.0 1124 1125 1126 1.0 1127 1.0 1128 1.0 1126 1127 1128 1129 1.0 1138 1.0 1129 1130 1.0 1131 1.0 1130 1131 1132 1.0 1133 1.0 1132 1133 1134 1.0 1136 1.0 1134 1135 1.0 1135 1136 1137 1.0 1138 1.0 1137 1138 1139 1.0 1139 1140 1141 1.0 1142 1.0 1141 1142 1143 1.0 1144 1.0 1143 1144 1145 1.0 1146 1.0 1150 1.0 1145 1146 1147 1.0 1148 1.0 1149 1.0 1147 1148 1149 1150 1151 1.0 1152 1.0 1151 1152 1153 1.0 1154 1.0 1153 1154 1155 1.0 1156 1.0 1172 1.0 1155 1156 1157 1.0 1158 1.0 1159 1.0 1157 1158 1159 1160 1.0 1161 1.0 1162 1.0 1160 1161 1162 1163 1.0 1164 1.0 1165 1.0 1163 1164 1165 1166 1.0 1167 1.0 1168 1.0 1166 1167 1168 1169 1.0 1170 1.0 1171 1.0 1169 1170 1171 1172 1173 1.0 1174 1.0 1173 1174 1175 1.0 1176 1.0 1175 1176 1177 1.0 1178 1.0 1182 1.0 1177 1178 1179 1.0 1180 1.0 1181 1.0 1179 1180 1181 1182 1183 1.0 1184 1.0 1183 1184 1185 1.0 1186 1.0 1185 1186 1187 1.0 1188 1.0 1192 1.0 1187 1188 1189 1.0 1190 1.0 1191 1.0 1189 1190 1191 1192 1193 1.0 1194 1.0 1193 1194 1195 1.0 1196 1.0 1195 1196 1197 1.0 1198 1.0 1199 1.0 1197 1198 1199 1200 1.0 1201 1.0 1200 1201 1202 1.0 1203 1.0 1202 1203 1204 1.0 1205 1.0 1221 1.0 1204 1205 1206 1.0 1207 1.0 1208 1.0 1206 1207 1208 1209 1.0 1210 1.0 1211 1.0 1209 1210 1211 1212 1.0 1213 1.0 1214 1.0 1212 1213 1214 1215 1.0 1216 1.0 1217 1.0 1215 1216 1217 1218 1.0 1219 1.0 1220 1.0 1218 1219 1220 1221 1222 1.0 1223 1.0 1222 1223 1224 1.0 1225 1.0 1224 1225 1226 1.0 1227 1.0 1240 1.0 1226 1227 1228 1.0 1229 1.0 1230 1.0 1228 1229 1230 1231 1.0 1232 1.0 1236 1.0 1231 1232 1233 1.0 1234 1.0 1235 1.0 1233 1234 1235 1236 1237 1.0 1238 1.0 1239 1.0 1237 1238 1239 1240 1241 1.0 1242 1.0 1241 1242 1243 1.0 1244 1.0 1243 1244 1245 1.0 1246 1.0 1262 1.0 1245 1246 1247 1.0 1248 1.0 1249 1.0 1247 1248 1249 1250 1.0 1251 1.0 1252 1.0 1250 1251 1252 1253 1.0 1254 1.0 1255 1.0 1253 1254 1255 1256 1.0 1257 1.0 1258 1.0 1256 1257 1258 1259 1.0 1260 1.0 1261 1.0 1259 1260 1261 1262 1263 1.0 1264 1.0 1263 1264 1265 1.0 1266 1.0 1265 1266 1267 1.0 1268 1.0 1272 1.0 1267 1268 1269 1.0 1270 1.0 1271 1.0 1269 1270 1271 1272 1273 1.0 1274 1.0 1273 1274 1275 1.0 1276 1.0 1275 1276 1277 1.0 1278 1.0 1287 1.0 1277 1278 1279 1.0 1280 1.0 1281 1.0 1279 1280 1281 1282 1.0 1283 1.0 1284 1.0 1282 1283 1284 1285 1.0 1286 1.0 1285 1286 1287 1288 1.0 1289 1.0 1288 1289 1290 1.0 1291 1.0 1290 1291 1292 1.0 1293 1.0 1294 1.0 1292 1293 1294 1295 1.0 1296 1.0 1295 1296 1297 1.0 1298 1.0 1297 1298 1299 1.0 1300 1.0 1305 1.0 1299 1300 1301 1.0 1302 1.0 1303 1.0 1301 1302 1303 1304 1.0 1304 1305 1306 1.0 1307 1.0 1306 1307 1308 1.0 1309 1.0 1308 1309 1310 1.0 1311 1.0 1320 1.0 1310 1311 1312 1.0 1313 1.0 1314 1.0 1312 1313 1314 1315 1.0 1316 1.0 1317 1.0 1315 1316 1317 1318 1.0 1319 1.0 1318 1319 1320 1321 1.0 1322 1.0 1321 1322 1323 1.0 1324 1.0 1323 1324 1325 1.0 1326 1.0 1339 1.0 1325 1326 1327 1.0 1328 1.0 1332 1.0 1327 1328 1329 1.0 1330 1.0 1331 1.0 1329 1330 1331 1332 1333 1.0 1334 1.0 1335 1.0 1333 1334 1335 1336 1.0 1337 1.0 1338 1.0 1336 1337 1338 1339 1340 1.0 1341 1.0 1340 1341 1342 1.0 1343 1.0 1342 1343 1344 1.0 1345 1.0 1363 1.0 1344 1345 1346 1.0 1347 1.0 1348 1.0 1346 1347 1348 1349 1.0 1350 1.0 1351 1.0 1349 1350 1351 1352 1.0 1353 1.0 1354 1.0 1352 1353 1354 1355 1.0 1356 1.0 1355 1356 1357 1.0 1360 1.0 1357 1358 1.0 1359 1.0 1358 1359 1360 1361 1.0 1362 1.0 1361 1362 1363 1364 1.0 1365 1.0 1364 1365 1366 1.0 1367 1.0 1366 1367 1368 1.0 1369 1.0 1382 1.0 1368 1369 1370 1.0 1371 1.0 1372 1.0 1370 1371 1372 1373 1.0 1374 1.0 1378 1.0 1373 1374 1375 1.0 1376 1.0 1377 1.0 1375 1376 1377 1378 1379 1.0 1380 1.0 1381 1.0 1379 1380 1381 1382 1383 1.0 1384 1.0 1383 1384 1385 1.0 1386 1.0 1385 1386 1387 1.0 1388 1.0 1392 1.0 1387 1388 1389 1.0 1390 1.0 1391 1.0 1389 1390 1391 1392 1393 1.0 1394 1.0 1393 1394 1395 1.0 1396 1.0 1395 1396 1397 1.0 1398 1.0 1404 1.0 1397 1398 1399 1.0 1400 1.0 1401 1.0 1399 1400 1401 1402 1.0 1403 1.0 1402 1403 1404 1405 1.0 1406 1.0 1405 1406 1407 1.0 1408 1.0 1407 1408 1409 1.0 1410 1.0 1420 1.0 1409 1410 1411 1.0 1412 1.0 1416 1.0 1411 1412 1413 1.0 1414 1.0 1415 1.0 1413 1414 1415 1416 1417 1.0 1418 1.0 1419 1.0 1417 1418 1419 1420 1421 1.0 1422 1.0 1421 1422 1423 1.0 1424 1.0 1423 1424 1425 1.0 1426 1.0 1432 1.0 1425 1426 1427 1.0 1428 1.0 1429 1.0 1427 1428 1429 1430 1.0 1431 1.0 1430 1431 1432 1433 1.0 1434 1.0 1433 1434 1435 1.0 1436 1.0 1435 1436 1437 1.0 1438 1.0 1442 1.0 1437 1438 1439 1.0 1440 1.0 1441 1.0 1439 1440 1441 1442 1443 1.0 1444 1.0 1443 1444 1445 1.0 1446 1.0 1445 1446 1447 1.0 1448 1.0 1456 1.0 1447 1448 1449 1.0 1450 1.0 1454 1.0 1449 1450 1451 1.0 1452 1.0 1453 1.0 1451 1452 1453 1454 1455 1.0 1455 1456 1457 1.0 1458 1.0 1457 1458 1459 1.0 1460 1.0 1459 1460 1461 1.0 1462 1.0 1471 1.0 1461 1462 1463 1.0 1464 1.0 1465 1.0 1463 1464 1465 1466 1.0 1467 1.0 1468 1.0 1466 1467 1468 1469 1.0 1470 1.0 1469 1470 1471 1472 1.0 1473 1.0 1472 1473 1474 1.0 1475 1.0 1474 1475 1476 1.0 1477 1.0 1486 1.0 1476 1477 1478 1.0 1479 1.0 1480 1.0 1478 1479 1480 1481 1.0 1482 1.0 1483 1.0 1481 1482 1483 1484 1.0 1485 1.0 1484 1485 1486 1487 1.0 1488 1.0 1487 1488 1489 1.0 1490 1.0 1489 1490 1491 1.0 1492 1.0 1497 1.0 1491 1492 1493 1.0 1494 1.0 1495 1.0 1493 1494 1495 1496 1.0 1496 1497 1498 1.0 1499 1.0 1498 1499 1500 1.0 1501 1.0 1500 1501 1502 1.0 1503 1.0 1509 1.0 1502 1503 1504 1.0 1505 1.0 1506 1.0 1504 1505 1506 1507 1.0 1508 1.0 1507 1508 1509 1510 1.0 1511 1.0 1510 1511 1512 1.0 1513 1.0 1512 1513 1514 1.0 1515 1.0 1528 1.0 1514 1515 1516 1.0 1517 1.0 1518 1.0 1516 1517 1518 1519 1.0 1520 1.0 1524 1.0 1519 1520 1521 1.0 1522 1.0 1523 1.0 1521 1522 1523 1524 1525 1.0 1526 1.0 1527 1.0 1525 1526 1527 1528 1529 1.0 1530 1.0 1529 1530 1531 1.0 1532 1.0 1531 1532 1533 1.0 1534 1.0 1538 1.0 1533 1534 1535 1.0 1536 1.0 1537 1.0 1535 1536 1537 1538 1539 1.0 1540 1.0 1539 1540 1541 1.0 1542 1.0 1541 1542 1543 1.0 1544 1.0 1555 1.0 1543 1544 1545 1.0 1546 1.0 1547 1.0 1545 1546 1547 1548 1.0 1549 1.0 1550 1.0 1548 1549 1550 1551 1.0 1552 1.0 1551 1552 1553 1.0 1554 1.0 1553 1554 1555 1556 1.0 1557 1.0 1556 1557 1558 1.0 1559 1.0 1558 1559 1560 1.0 1561 1.0 1572 1.0 1560 1561 1562 1.0 1563 1.0 1564 1.0 1562 1563 1564 1565 1.0 1566 1.0 1567 1.0 1565 1566 1567 1568 1.0 1569 1.0 1568 1569 1570 1.0 1571 1.0 1570 1571 1572 1573 1.0 1574 1.0 1573 1574 1575 1.0 1576 1.0 1575 1576 1577 1.0 1578 1.0 1593 1.0 1577 1578 1579 1.0 1580 1.0 1581 1.0 1579 1580 1581 1582 1.0 1591 1.0 1582 1583 1.0 1584 1.0 1583 1584 1585 1.0 1586 1.0 1585 1586 1587 1.0 1589 1.0 1587 1588 1.0 1588 1589 1590 1.0 1591 1.0 1590 1591 1592 1.0 1592 1593 1594 1.0 1595 1.0 1594 1595 1596 1.0 1597 1.0 1596 1597 1598 1.0 1599 1.0 1600 1.0 1598 1599 1600 1601 1.0 1602 1.0 1601 1602 1603 1.0 1604 1.0 1603 1604 1605 1.0 1606 1.0 1616 1.0 1605 1606 1607 1.0 1608 1.0 1612 1.0 1607 1608 1609 1.0 1610 1.0 1611 1.0 1609 1610 1611 1612 1613 1.0 1614 1.0 1615 1.0 1613 1614 1615 1616 1617 1.0 1618 1.0 1617 1618 1619 1.0 1620 1.0 1619 1620 1621 1.0 1622 1.0 1640 1.0 1621 1622 1623 1.0 1624 1.0 1625 1.0 1623 1624 1625 1626 1.0 1627 1.0 1628 1.0 1626 1627 1628 1629 1.0 1630 1.0 1631 1.0 1629 1630 1631 1632 1.0 1633 1.0 1632 1633 1634 1.0 1637 1.0 1634 1635 1.0 1636 1.0 1635 1636 1637 1638 1.0 1639 1.0 1638 1639 1640 1641 1.0 1642 1.0 1641 1642 1643 1.0 1644 1.0 1643 1644 1645 1.0 1646 1.0 1647 1.0 1645 1646 1647 1648 1.0 1649 1.0 1648 1649 1650 1.0 1651 1.0 1650 1651 1652 1.0 1653 1.0 1668 1.0 1652 1653 1654 1.0 1655 1.0 1656 1.0 1654 1655 1656 1657 1.0 1666 1.0 1657 1658 1.0 1659 1.0 1658 1659 1660 1.0 1661 1.0 1660 1661 1662 1.0 1664 1.0 1662 1663 1.0 1663 1664 1665 1.0 1666 1.0 1665 1666 1667 1.0 1667 1668 1669 1.0 1670 1.0 1669 1670 1671 1.0 1680 1.0 1671 1672 1.0 1673 1.0 1674 1.0 1672 1673 1674 1675 1.0 1676 1.0 1677 1.0 1675 1676 1677 1678 1.0 1679 1.0 1680 1.0 1678 1679 1680 1681 1.0 1682 1.0 1681 1682 1683 1.0 1684 1.0 1683 1684 1685 1.0 1686 1.0 1685 1686 1687 1.0 1688 1.0 1696 1.0 1687 1688 1689 1.0 1690 1.0 1694 1.0 1689 1690 1691 1.0 1692 1.0 1693 1.0 1691 1692 1693 1694 1695 1.0 1695 1696 1697 1.0 1698 1.0 1697 1698 1699 1.0 1700 1.0 1699 1700 1701 1.0 1702 1.0 1715 1.0 1701 1702 1703 1.0 1704 1.0 1708 1.0 1703 1704 1705 1.0 1706 1.0 1707 1.0 1705 1706 1707 1708 1709 1.0 1710 1.0 1711 1.0 1709 1710 1711 1712 1.0 1713 1.0 1714 1.0 1712 1713 1714 1715 1716 1.0 1717 1.0 1716 1717 1718 1.0 1719 1.0 1718 1719 1720 1.0 1721 1.0 1737 1.0 1720 1721 1722 1.0 1723 1.0 1724 1.0 1722 1723 1724 1725 1.0 1726 1.0 1727 1.0 1725 1726 1727 1728 1.0 1729 1.0 1730 1.0 1728 1729 1730 1731 1.0 1732 1.0 1733 1.0 1731 1732 1733 1734 1.0 1735 1.0 1736 1.0 1734 1735 1736 1737 1738 1.0 1739 1.0 1738 1739 1740 1.0 1741 1.0 1740 1741 1742 1.0 1743 1.0 1757 1.0 1742 1743 1744 1.0 1745 1.0 1746 1.0 1744 1745 1746 1747 1.0 1755 1.0 1747 1748 1.0 1749 1.0 1748 1749 1750 1.0 1751 1.0 1750 1751 1752 1.0 1753 1.0 1752 1753 1754 1.0 1755 1.0 1754 1755 1756 1.0 1756 1757 1758 1.0 1759 1.0 1758 1759 1760 1.0 1761 1.0 1760 1761 1762 1.0 1763 1.0 1777 1.0 1762 1763 1764 1.0 1765 1.0 1766 1.0 1764 1765 1766 1767 1.0 1775 1.0 1767 1768 1.0 1769 1.0 1768 1769 1770 1.0 1771 1.0 1770 1771 1772 1.0 1773 1.0 1772 1773 1774 1.0 1775 1.0 1774 1775 1776 1.0 1776 1777 1778 1.0 1779 1.0 1778 1779 1780 1.0 1781 1.0 1780 1781 1782 1.0 1783 1.0 1801 1.0 1782 1783 1784 1.0 1785 1.0 1786 1.0 1784 1785 1786 1787 1.0 1788 1.0 1789 1.0 1787 1788 1789 1790 1.0 1791 1.0 1792 1.0 1790 1791 1792 1793 1.0 1794 1.0 1793 1794 1795 1.0 1798 1.0 1795 1796 1.0 1797 1.0 1796 1797 1798 1799 1.0 1800 1.0 1799 1800 1801 1802 1.0 1803 1.0 1802 1803 1804 1.0 1805 1.0 1804 1805 1806 1.0 1807 1.0 1815 1.0 1806 1807 1808 1.0 1809 1.0 1810 1.0 1808 1809 1810 1811 1.0 1812 1.0 1811 1812 1813 1.0 1814 1.0 1813 1814 1815 1816 1.0 1817 1.0 1816 1817 1818 1.0 1819 1.0 1818 1819 1820 1.0 1821 1.0 1822 1.0 1820 1821 1822 1823 1.0 1824 1.0 1823 1824 1825 1.0 1826 1.0 1825 1826 1827 1.0 1828 1.0 1834 1.0 1827 1828 1829 1.0 1830 1.0 1831 1.0 1829 1830 1831 1832 1.0 1833 1.0 1832 1833 1834 1835 1.0 1836 1.0 1835 1836 1837 1.0 1838 1.0 1837 1838 1839 1.0 1840 1.0 1848 1.0 1839 1840 1841 1.0 1842 1.0 1846 1.0 1841 1842 1843 1.0 1844 1.0 1845 1.0 1843 1844 1845 1846 1847 1.0 1847 1848 1849 1.0 1850 1.0 1849 1850 1851 1.0 1852 1.0 1851 1852 1853 1.0 1854 1.0 1858 1.0 1853 1854 1855 1.0 1856 1.0 1857 1.0 1855 1856 1857 1858 1859 1.0 1860 1.0 1859 1860 1861 1.0 1862 1.0 1861 1862 1863 1.0 1864 1.0 1869 1.0 1863 1864 1865 1.0 1866 1.0 1867 1.0 1865 1866 1867 1868 1.0 1868 1869 1870 1.0 1871 1.0 1870 1871 1872 1.0 1881 1.0 1872 1873 1.0 1874 1.0 1875 1.0 1873 1874 1875 1876 1.0 1877 1.0 1878 1.0 1876 1877 1878 1879 1.0 1880 1.0 1881 1.0 1879 1880 1881 1882 1.0 1883 1.0 1882 1883 1884 1.0 1885 1.0 1884 1885 1886 1.0 1887 1.0 1886 1887 1888 1.0 1889 1.0 1905 1.0 1888 1889 1890 1.0 1891 1.0 1892 1.0 1890 1891 1892 1893 1.0 1894 1.0 1895 1.0 1893 1894 1895 1896 1.0 1897 1.0 1898 1.0 1896 1897 1898 1899 1.0 1900 1.0 1901 1.0 1899 1900 1901 1902 1.0 1903 1.0 1904 1.0 1902 1903 1904 1905 1906 1.0 1907 1.0 1906 1907 1908 1.0 1909 1.0 1908 1909 1910 1.0 1911 1.0 1920 1.0 1910 1911 1912 1.0 1913 1.0 1914 1.0 1912 1913 1914 1915 1.0 1916 1.0 1917 1.0 1915 1916 1917 1918 1.0 1919 1.0 1918 1919 1920 1921 1.0 1922 1.0 1921 1922 1923 1.0 1924 1.0 1923 1924 1925 1.0 1926 1.0 1941 1.0 1925 1926 1927 1.0 1928 1.0 1929 1.0 1927 1928 1929 1930 1.0 1939 1.0 1930 1931 1.0 1932 1.0 1931 1932 1933 1.0 1934 1.0 1933 1934 1935 1.0 1937 1.0 1935 1936 1.0 1936 1937 1938 1.0 1939 1.0 1938 1939 1940 1.0 1940 1941 1942 1.0 1943 1.0 1942 1943 1944 1.0 1945 1.0 1944 1945 1946 1.0 1947 1.0 1955 1.0 1946 1947 1948 1.0 1949 1.0 1953 1.0 1948 1949 1950 1.0 1951 1.0 1952 1.0 1950 1951 1952 1953 1954 1.0 1954 1955 1956 1.0 1957 1.0 1956 1957 1958 1.0 1959 1.0 1958 1959 1960 1.0 1961 1.0 1965 1.0 1960 1961 1962 1.0 1963 1.0 1964 1.0 1962 1963 1964 1965 1966 1.0 1967 1.0 1966 1967 1968 1.0 1969 1.0 1968 1969 1970 1.0 1971 1.0 1972 1.0 1970 1971 1972 1973 1.0 1974 1.0 1973 1974 1975 1.0 1976 1.0 1975 1976 1977 1.0 1978 1.0 1984 1.0 1977 1978 1979 1.0 1980 1.0 1981 1.0 1979 1980 1981 1982 1.0 1983 1.0 1982 1983 1984 1985 1.0 1986 1.0 1985 1986 1987 1.0 1988 1.0 1987 1988 1989 1.0 1990 1.0 1999 1.0 1989 1990 1991 1.0 1992 1.0 1993 1.0 1991 1992 1993 1994 1.0 1995 1.0 1996 1.0 1994 1995 1996 1997 1.0 1998 1.0 1997 1998 1999 2000 1.0 2001 1.0 2000 2001 2002 1.0 2003 1.0 2002 2003 2004 1.0 2005 1.0 2009 1.0 2004 2005 2006 1.0 2007 1.0 2008 1.0 2006 2007 2008 2009 2010 1.0 2011 1.0 2010 2011 2012 1.0 2013 1.0 2012 2013 2014 1.0 2015 1.0 2021 1.0 2014 2015 2016 1.0 2017 1.0 2018 1.0 2016 2017 2018 2019 1.0 2020 1.0 2019 2020 2021 2022 1.0 2023 1.0 2022 2023 2024 1.0 2025 1.0 2024 2025 2026 1.0 2027 1.0 2033 1.0 2026 2027 2028 1.0 2029 1.0 2030 1.0 2028 2029 2030 2031 1.0 2032 1.0 2031 2032 2033 2034 1.0 2035 1.0 2034 2035 2036 1.0 2037 1.0 2036 2037 2038 1.0 2039 1.0 2052 1.0 2038 2039 2040 1.0 2041 1.0 2045 1.0 2040 2041 2042 1.0 2043 1.0 2044 1.0 2042 2043 2044 2045 2046 1.0 2047 1.0 2048 1.0 2046 2047 2048 2049 1.0 2050 1.0 2051 1.0 2049 2050 2051 2052 2053 1.0 2054 1.0 2053 2054 2055 1.0 2056 1.0 2055 2056 2057 1.0 2058 1.0 2068 1.0 2057 2058 2059 1.0 2060 1.0 2064 1.0 2059 2060 2061 1.0 2062 1.0 2063 1.0 2061 2062 2063 2064 2065 1.0 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7049 7050 7051 1.0 7052 1.0 7051 7052 1.0 7052 7053 7054 1.0 7055 1.0 7054 7055 1.0 7055 7056 7057 1.0 7058 1.0 7057 7058 1.0 7058 7059 7060 1.0 7061 1.0 7060 7061 1.0 7061 7062 7063 1.0 7064 1.0 7063 7064 1.0 7064 7065 7066 1.0 7067 1.0 7066 7067 1.0 7067 7068 7069 1.0 7070 1.0 7069 7070 1.0 7070 7071 7072 1.0 7073 1.0 7072 7073 1.0 7073 7074 7075 1.0 7076 1.0 7075 7076 1.0 7076 7077 7078 1.0 7079 1.0 7078 7079 1.0 7079 7080 7081 1.0 7082 1.0 7081 7082 1.0 7082 7083 7084 1.0 7085 1.0 7084 7085 1.0 7085 7086 7087 1.0 7088 1.0 7087 7088 1.0 7088 7089 7090 1.0 7091 1.0 7090 7091 1.0 7091 7092 7093 1.0 7094 1.0 7093 7094 1.0 7094 7095 7096 1.0 7097 1.0 7096 7097 1.0 7097 7098 7099 1.0 7100 1.0 7099 7100 1.0 7100 7101 7102 1.0 7103 1.0 7102 7103 1.0 7103 7104 7105 1.0 7106 1.0 7105 7106 1.0 7106 7107 7108 1.0 7109 1.0 7108 7109 1.0 7109 7110 7111 1.0 7112 1.0 7111 7112 1.0 7112 7113 7114 1.0 7115 1.0 7114 7115 1.0 7115 7116 7117 1.0 7118 1.0 7117 7118 1.0 7118 7119 7120 1.0 7121 1.0 7120 7121 1.0 7121 7122 7123 1.0 7124 1.0 7123 7124 1.0 7124 7125 7126 1.0 7127 1.0 7126 7127 1.0 7127 7128 7129 1.0 7130 1.0 7129 7130 1.0 7130 7131 7132 1.0 7133 1.0 7132 7133 1.0 7133 7134 7135 1.0 7136 1.0 7135 7136 1.0 7136 7137 7138 1.0 7139 1.0 7138 7139 1.0 7139 7140 7141 1.0 7142 1.0 7141 7142 1.0 7142 7143 7144 1.0 7145 1.0 7144 7145 1.0 7145 7146 7147 1.0 7148 1.0 7147 7148 1.0 7148 7149 7150 1.0 7151 1.0 7150 7151 1.0 7151 7152 7153 1.0 7154 1.0 7153 7154 1.0 7154 7155 7156 1.0 7157 1.0 7156 7157 1.0 7157 7158 7159 1.0 7160 1.0 7159 7160 1.0 7160 7161 7162 1.0 7163 1.0 7162 7163 1.0 7163 7164 7165 1.0 7166 1.0 7165 7166 1.0 7166 7167 VDW C* 1.9080 0.0860 VDW H5 1.3590 0.0150 VDW H4 1.4090 0.0150 VDW HA 1.4590 0.0150 VDW H1 1.3870 0.0157 VDW N3 1.8240 0.1700 VDW N2 1.8240 0.1700 VDW O2 1.6612 0.2100 VDW CN 1.9080 0.0860 VDW NA 1.8240 0.1700 VDW NB 1.8240 0.1700 VDW HS 0.6000 0.0157 VDW HP 1.1000 0.0157 VDW CB 1.9080 0.0860 VDW CC 1.9080 0.0860 VDW OW 1.7683 0.1520 VDW CA 1.9080 0.0860 VDW S 2.0000 0.2500 VDW OH 1.7210 0.2104 VDW CW 1.9080 0.0860 VDW N 1.8240 0.1700 VDW O 1.6612 0.2100 VDW SH 2.0000 0.2500 VDW HC 1.4870 0.0157 VDW H 0.6000 0.0157 VDW CR 1.9080 0.0860 VDW CV 1.9080 0.0860 VDW C 1.9080 0.0860 VDW CT 1.9080 0.1094 HrmStr1 CT H1 340.00 1.0900 HrmStr1 CT HC 340.00 1.0900 HrmStr1 CT HP 340.00 1.0900 HrmStr1 N3 H 434.00 1.0100 HrmStr1 N H 434.00 1.0100 HrmStr1 N2 H 434.00 1.0100 HrmStr1 SH HS 274.00 1.3360 HrmStr1 CV H4 367.00 1.0800 HrmStr1 CR H5 367.00 1.0800 HrmStr1 NA H 434.00 1.0100 HrmStr1 OH HO 553.00 0.9600 HrmStr1 CA HA 367.00 1.0800 HrmStr1 CW H4 367.00 1.0800 HrmStr1 HW HW 553.00 1.5136 HrmStr1 OW HW 553.00 0.9572 HrmStr1 C O 570.00 1.2290 HrmStr1 C N 490.00 1.3350 HrmStr1 S CT 227.00 1.8100 HrmStr1 CT CT 310.00 1.5260 HrmStr1 CT C 317.00 1.5220 HrmStr1 N3 CT 367.00 1.4710 HrmStr1 N CT 337.00 1.4490 HrmStr1 CA N2 481.00 1.3400 HrmStr1 CT N2 337.00 1.4630 HrmStr1 CT SH 237.00 1.8100 HrmStr1 C O2 656.00 1.2500 HrmStr1 NB CV 410.00 1.3940 HrmStr1 CR NB 488.00 1.3350 HrmStr1 NA CR 477.00 1.3430 HrmStr1 CC NA 422.00 1.3850 HrmStr1 CC CV 512.00 1.3750 HrmStr1 CT CC 317.00 1.5040 HrmStr1 CT OH 320.00 1.4100 HrmStr1 CA CA 469.00 1.4000 HrmStr1 CT CA 317.00 1.5100 HrmStr1 C OH 450.00 1.3640 HrmStr1 C CA 469.00 1.4090 HrmStr1 CA CB 469.00 1.4040 HrmStr1 CN CA 469.00 1.4000 HrmStr1 CN CB 447.00 1.4190 HrmStr1 NA CN 428.00 1.3800 HrmStr1 CW NA 427.00 1.3810 HrmStr1 C* CW 546.00 1.3520 HrmStr1 C* CB 388.00 1.4590 HrmStr1 CT C* 317.00 1.4950 HrmStr1 S S 166.00 2.0380 HrmBnd1 HW HW OW 0.00 0.00 HrmBnd1 HW OW HW 0.00 0.00 HrmBnd1 H1 CT HC 35.00 109.5000 #mimick H1-CT-HC HrmBnd1 C N H 50.00 120.0001 HrmBnd1 H1 CT H1 35.00 109.5000 HrmBnd1 S CT H1 50.00 109.5000 HrmBnd1 HC CT CT 50.00 109.5000 HrmBnd1 HC CT HC 35.00 109.5000 HrmBnd1 CT CT H1 50.00 109.5000 HrmBnd1 HP CT CT 50.00 109.5000 HrmBnd1 HP CT C 50.00 109.5000 HrmBnd1 H N3 CT 50.00 109.5000 HrmBnd1 H N3 H 35.00 109.5000 HrmBnd1 N3 CT HP 50.00 109.5000 HrmBnd1 H1 CT C 50.00 109.5000 HrmBnd1 H N CT 50.00 118.0401 HrmBnd1 N CT H1 50.00 109.5000 HrmBnd1 H N2 H 35.00 120.0001 HrmBnd1 CA N2 H 50.00 120.0001 HrmBnd1 H1 CT N2 50.00 109.5000 HrmBnd1 CT N2 H 50.00 118.4001 HrmBnd1 H1 CT SH 50.00 109.5000 HrmBnd1 CT SH HS 43.00 96.0000 HrmBnd1 HC CT C 50.00 109.5000 HrmBnd1 NB CV H4 50.00 120.0001 HrmBnd1 H5 CR NB 50.00 120.0001 HrmBnd1 H NA CR 50.00 120.0001 HrmBnd1 NA CR H5 50.00 120.0001 HrmBnd1 CC NA H 50.00 120.0001 HrmBnd1 CC CV H4 50.00 120.0001 HrmBnd1 HC CT CC 50.00 109.5000 HrmBnd1 HP CT HP 35.00 109.5000 HrmBnd1 H1 CT OH 50.00 109.5000 HrmBnd1 CT OH HO 55.00 108.5000 HrmBnd1 H N H 35.00 120.0001 HrmBnd1 HA CA CA 50.00 120.0001 HrmBnd1 HC CT CA 50.00 109.5000 HrmBnd1 C OH HO 50.00 113.0000 HrmBnd1 C CA HA 50.00 120.0001 HrmBnd1 HA CA CB 50.00 120.0001 HrmBnd1 CN CA HA 50.00 120.0001 HrmBnd1 H NA CN 50.00 123.1001 HrmBnd1 H4 CW NA 50.00 120.0001 HrmBnd1 CW NA H 50.00 120.0001 HrmBnd1 C* CW H4 50.00 120.0001 HrmBnd1 HC CT C* 50.00 109.5000 HrmBnd1 O C N 80.00 122.9001 HrmBnd1 C N CT 50.00 121.9001 HrmBnd1 CT S CT 62.00 98.9000 HrmBnd1 CT CT C 63.00 111.1000 HrmBnd1 CT CT S 50.00 114.7000 HrmBnd1 CT CT CT 40.00 109.5000 HrmBnd1 CT C O 80.00 120.4001 HrmBnd1 CT C N 70.00 116.6000 HrmBnd1 N3 CT CT 80.00 111.2000 HrmBnd1 N3 CT C 80.00 111.2000 HrmBnd1 N CT CT 80.00 109.7000 HrmBnd1 N CT C 63.00 110.1000 HrmBnd1 N2 CA N2 70.00 120.0001 HrmBnd1 CT N2 CA 50.00 123.2001 HrmBnd1 CT CT N2 80.00 111.2000 HrmBnd1 CT CT SH 50.00 108.6000 HrmBnd1 O2 C O2 80.00 126.0001 HrmBnd1 CT C O2 70.00 117.0001 HrmBnd1 CT N CT 50.00 118.0001 HrmBnd1 CR NB CV 70.00 117.0001 HrmBnd1 NA CC CV 70.00 120.0001 HrmBnd1 NA CR NB 70.00 120.0001 HrmBnd1 CC NA CR 70.00 120.0001 HrmBnd1 CC CV NB 70.00 120.0001 HrmBnd1 CT CC NA 70.00 120.0001 HrmBnd1 CT CC CV 70.00 120.0001 HrmBnd1 CT CT CC 63.00 113.1000 HrmBnd1 CT CT OH 50.00 109.5000 HrmBnd1 CA CA CA 63.00 120.0001 HrmBnd1 CT CA CA 70.00 120.0001 HrmBnd1 CT CT CA 63.00 114.0000 HrmBnd1 OH C CA 70.00 120.0001 HrmBnd1 C CA CA 63.00 120.0001 HrmBnd1 CA C CA 63.00 120.0001 HrmBnd1 CA CA CB 63.00 120.0001 HrmBnd1 CA CN CB 63.00 122.7001 HrmBnd1 CN CA CA 63.00 120.0001 HrmBnd1 CN CB CA 63.00 116.2000 HrmBnd1 NA CN CA 70.00 132.8001 HrmBnd1 NA CN CB 70.00 104.4000 HrmBnd1 CW C* CB 63.00 106.4000 HrmBnd1 CW NA CN 70.00 111.6000 HrmBnd1 C* CW NA 70.00 108.7000 HrmBnd1 C* CB CN 63.00 108.8000 HrmBnd1 C* CB CA 63.00 134.9001 HrmBnd1 CT C* CW 70.00 125.0001 HrmBnd1 CT C* CB 70.00 128.6001 HrmBnd1 CT CT C* 63.00 115.6000 HrmBnd1 S S CT 68.00 103.7000 AmbTrs CT CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs O2 C CT CT 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs O2 C CT N3 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N3 CT CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT C O 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT C N 0 0 0 0 0.200 0.200 0.400 0.000 1.0 AmbTrs CT C N CT 0 180 0 0 0.000 2.500 0.000 0.000 1.0 AmbTrs C N CT C 0 0 0 0 0.000 0.270 0.420 0.000 1.0 AmbTrs C N CT CT 0 0 0 0 2.000 2.000 0.400 0.000 1.0 AmbTrs N CT C N 180 180 180 0 0.450 1.580 0.550 0.000 1.0 AmbTrs N CT C O 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N CT CT S 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT S S 0 0 0 0 0.000 0.000 0.333 0.000 1.0 AmbTrs CT N C O 0 180 0 0 0.000 2.500 0.000 0.000 1.0 AmbTrs CT S S CT 0 0 0 0 0.000 3.500 0.600 0.000 1.0 AmbTrs S CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N CT C O2 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N CT CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT CT CT 180 180 0 0 0.200 0.250 0.180 0.000 1.0 AmbTrs CT N CT C 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT N CT CT 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs C CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N CT CT CC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT CC CV 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT CC NA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CC CV NB 0 180 0 0 0.000 5.150 0.000 0.000 1.0 AmbTrs CT CC NA CR 0 180 0 0 0.000 1.400 0.000 0.000 1.0 AmbTrs CC CV NB CR 0 180 0 0 0.000 2.400 0.000 0.000 1.0 AmbTrs CC NA CR NB 0 180 0 0 0.000 2.325 0.000 0.000 1.0 AmbTrs CC CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs NA CR NB CV 0 180 0 0 0.000 5.000 0.000 0.000 1.0 AmbTrs NA CC CV NB 0 180 0 0 0.000 5.150 0.000 0.000 1.0 AmbTrs CR NA CC CV 0 180 0 0 0.000 1.400 0.000 0.000 1.0 AmbTrs N CT CT CA 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT CA CA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CA CA CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CA CA CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N CT CT OH 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs OH CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT CT N2 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT N2 CA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT N2 CA N2 0 180 0 0 0.000 2.400 0.000 0.000 1.0 AmbTrs CA CA CA C 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CA C CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CA C OH 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs N CT CT C* 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT C* CB 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT C* CW 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT C* CB CA 0 180 0 0 0.000 1.675 0.000 0.000 1.0 AmbTrs CT C* CB CN 0 180 0 0 0.000 1.675 0.000 0.000 1.0 AmbTrs CT C* CW NA 0 180 0 0 0.000 6.525 0.000 0.000 1.0 AmbTrs C* CB CA CA 0 180 0 0 0.000 3.500 0.000 0.000 1.0 AmbTrs C* CB CN CA 0 180 0 0 0.000 3.000 0.000 0.000 1.0 AmbTrs C* CB CN NA 0 180 0 0 0.000 3.000 0.000 0.000 1.0 AmbTrs C* CW NA CN 0 180 0 0 0.000 1.500 0.000 0.000 1.0 AmbTrs C* CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CW NA CN CB 0 180 0 0 0.000 1.525 0.000 0.000 1.0 AmbTrs CW NA CN CA 0 180 0 0 0.000 1.525 0.000 0.000 1.0 AmbTrs CW C* CB CA 0 180 0 0 0.000 1.675 0.000 0.000 1.0 AmbTrs CW C* CB CN 0 180 0 0 0.000 1.675 0.000 0.000 1.0 AmbTrs NA CN CB CA 0 180 0 0 0.000 3.000 0.000 0.000 1.0 AmbTrs NA CN CA CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs NA CW C* CB 0 180 0 0 0.000 6.525 0.000 0.000 1.0 AmbTrs CN CB CA CA 0 180 0 0 0.000 3.500 0.000 0.000 1.0 AmbTrs CN CA CA CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CN CB CA 0 180 0 0 0.000 3.000 0.000 0.000 1.0 AmbTrs CA CA CA CB 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CA CN CB 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs N CT CT SH 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs SH CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N3 CT C N 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N3 CT C O 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT CT S 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT S CT 0 0 0 0 0.000 0.000 0.333 0.000 1.0 AmbTrs CT CT CT HC 0 0 0 0 0.000 0.000 0.160 0.000 1.0 AmbTrs C CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs C CT N3 H 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs O2 C CT HP 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N3 CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H N3 CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H N3 CT HP 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs HP CT CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs HP CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs HC CT CT HC 0 0 0 0 0.000 0.000 0.150 0.000 1.0 AmbTrs CT C N H 0 180 0 0 0.000 2.500 0.000 0.000 1.0 AmbTrs HC CT C O 0 0 180 0 0.800 0.000 0.080 0.000 1.0 AmbTrs HC CT C N 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs C N CT H1 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N CT CT H1 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT N H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs S S CT H1 0 0 0 0 0.000 0.000 0.333 0.000 1.0 AmbTrs S CT CT H1 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs C CT N H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs C CT CT H1 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N C CT H1 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs O2 C CT H1 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs H1 CT N H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs H N C O 0 180 0 0 2.000 2.500 0.000 0.000 1.0 AmbTrs O C CT H1 0 0 180 0 0.800 0.000 0.080 0.000 1.0 AmbTrs H1 CT CT H1 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H1 CT CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H1 CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT N CT H1 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs H1 CT CT CC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CC CV H4 0 180 0 0 0.000 5.150 0.000 0.000 1.0 AmbTrs CT CC NA H 0 180 0 0 0.000 1.400 0.000 0.000 1.0 AmbTrs HC CT CC CV 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HC CT CC NA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CC NA CR H5 0 180 0 0 0.000 2.325 0.000 0.000 1.0 AmbTrs NA CC CV H4 0 180 0 0 0.000 5.150 0.000 0.000 1.0 AmbTrs H NA CR NB 0 180 0 0 0.000 2.325 0.000 0.000 1.0 AmbTrs H NA CR H5 0 180 0 0 0.000 2.325 0.000 0.000 1.0 AmbTrs H NA CC CV 0 180 0 0 0.000 1.400 0.000 0.000 1.0 AmbTrs CR NB CV H4 0 180 0 0 0.000 2.400 0.000 0.000 1.0 AmbTrs H5 CR NB CV 0 180 0 0 0.000 5.000 0.000 0.000 1.0 AmbTrs H1 CT CT CA 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CA CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HC CT CA CA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CA CA CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HA CA CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HC CT C O2 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT OH HO 0 0 0 0 0.250 0.000 0.160 0.000 1.0 AmbTrs H1 CT CT OH 0 0 0 0 0.250 0.000 0.000 0.000 1.0 AmbTrs H1 CT OH HO 0 0 0 0 0.000 0.000 0.167 0.000 1.0 AmbTrs HC CT CT OH 0 0 0 0 0.250 0.000 0.000 0.000 1.0 AmbTrs CT CT N2 H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HC CT CT N2 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H1 CT N2 CA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs H1 CT N2 H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N2 CA N2 H 0 180 0 0 0.000 2.400 0.000 0.000 1.0 AmbTrs HA CA CA C 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA C CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA C OH HO 0 180 0 0 0.000 2.300 0.000 0.000 1.0 AmbTrs HA CA C OH 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs H1 CT CT C* 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT C* CW H4 0 180 0 0 0.000 6.525 0.000 0.000 1.0 AmbTrs HC CT C* CB 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HC CT C* CW 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs C* CB CA HA 0 180 0 0 0.000 3.500 0.000 0.000 1.0 AmbTrs C* CW NA H 0 180 0 0 0.000 1.500 0.000 0.000 1.0 AmbTrs H4 CW NA CN 0 180 0 0 0.000 1.500 0.000 0.000 1.0 AmbTrs H4 CW NA H 0 180 0 0 0.000 1.500 0.000 0.000 1.0 AmbTrs H4 CW C* CB 0 180 0 0 0.000 6.525 0.000 0.000 1.0 AmbTrs NA CN CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs H NA CN CB 0 180 0 0 0.000 1.525 0.000 0.000 1.0 AmbTrs H NA CN CA 0 180 0 0 0.000 1.525 0.000 0.000 1.0 AmbTrs CN CB CA HA 0 180 0 0 0.000 3.500 0.000 0.000 1.0 AmbTrs CN CA CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HA CA CN CB 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HA CA CA CB 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CT CT SH HS 0 0 0 0 0.000 0.000 0.250 0.000 1.0 AmbTrs H1 CT CT SH 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H1 CT SH HS 0 0 0 0 0.000 0.000 0.250 0.000 1.0 AmbTrs HP CT C N 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HP CT C O 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HC CT CT S 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT S CT H1 0 0 0 0 0.000 0.000 0.333 0.000 1.0 ImpTrs CT O2 C O2 10.5 180.0 2.0 ImpTrs CT N C O 10.5 180.0 2.0 ImpTrs C CT N CT 1.0 180.0 2.0 ImpTrs CT CV CC NA 1.1 180.0 2.0 ImpTrs CA CA CA CT 1.1 180.0 2.0 ImpTrs N2 N2 CA N2 10.5 180.0 2.0 ImpTrs CA CA C OH 1.1 180.0 2.0 ImpTrs CB CT C* CW 1.1 180.0 2.0 ImpTrs C CT N H 1.1 180.0 2.0 ImpTrs C H N H 1.0 180.0 2.0 ImpTrs CC CR NA H 1.0 180.0 2.0 ImpTrs NA NB CR H5 1.1 180.0 2.0 ImpTrs CC NB CV H4 1.1 180.0 2.0 ImpTrs CA CA CA HA 1.1 180.0 2.0 ImpTrs CT CA N2 H 1.0 180.0 2.0 ImpTrs CA H N2 H 1.0 180.0 2.0 ImpTrs CA C CA HA 1.1 180.0 2.0 ImpTrs C* NA CW H4 1.1 180.0 2.0 ImpTrs CW CN NA H 1.0 180.0 2.0 ImpTrs CN CA CA HA 1.1 180.0 2.0 ImpTrs CA CB CA HA 1.1 180.0 2.0 --Link1-- %mem=54GB %nprocshared=16 %chk=domain-ab-TS3.chk # oniom(mpwpw91/6-31g(d):amber=softfirst)=embedcharge iop(3/76=0594004060) nosymm freq=(noraman,savenormalmodes,modelmodes) geom=connectivity temperature=310 pressure=1.0 10_TSredox2.rtf -11 1 0 1 0 1 C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=47) 0 -13.619076 -6.982677 0.617058 H H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=47) 0 -12.965322 -7.542845 1.282604 H H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=47) 0 -13.870036 -6.082025 1.171789 H C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=47) 0 -14.905626 -7.766865 0.427166 H H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=47) 0 -15.593143 -7.284735 -0.276157 H H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=47) 0 -14.737178 -8.769915 0.035499 H C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=47) 0 -15.684140 -7.859473 1.730919 H O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=47) 0 -16.585770 -8.820258 1.824254 H O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=47) 0 -15.540223 -7.091757 2.648408 H C-CT--0.027500(PDBName=CA,ResName=TRP,ResNum=52) 0 -24.961515 -13.841967 -3.377657 L H-H1-0.112300(PDBName=HA,ResName=TRP,ResNum=52) 0 -25.506703 -14.026264 -2.452411 L C-C-0.597300(PDBName=C,ResName=TRP,ResNum=52) 0 -23.798164 -14.857561 -3.422097 L O-O--0.567900(PDBName=O,ResName=TRP,ResNum=52) 0 -24.084229 -16.052416 -3.303308 L N-N--0.415700(PDBName=N,ResName=CYM,ResNum=53) 0 -22.530832 -14.439713 -3.586967 L H-HC 16 0.0000 H-H-0.271900(PDBName=H,ResName=CYM,ResNum=53) 0 -22.324788 -13.447333 -3.581558 L C-CT--0.035100(PDBName=CA,ResName=CYM,ResNum=53) 0 -21.402917 -15.327813 -3.890039 H H-H1-0.050800(PDBName=HA,ResName=CYM,ResNum=53) 0 -21.731055 -16.086668 -4.600041 H C-CT--0.241300(PDBName=CB,ResName=CYM,ResNum=53) 0 -20.350072 -14.462450 -4.603533 H H-H1-0.112200(PDBName=HB3,ResName=CYM,ResNum=53) 0 -20.400046 -13.428090 -4.289164 H H-H1-0.112200(PDBName=HB2,ResName=CYM,ResNum=53) 0 -20.529899 -14.502452 -5.676600 H S-SH--0.884400(PDBName=SG,ResName=CYM,ResNum=53) 0 -18.585586 -14.866802 -4.402430 H C-C-0.597300(PDBName=C,ResName=CYM,ResNum=53) 0 -21.006205 -16.003346 -2.601780 H O-O--0.567900(PDBName=O,ResName=CYM,ResNum=53) 0 -20.745875 -15.371289 -1.585780 H N-N--0.415700(PDBName=N,ResName=GLY,ResNum=54) 0 -20.969506 -17.353012 -2.606667 H H-H-0.271900(PDBName=H,ResName=GLY,ResNum=54) 0 -21.398799 -17.838519 -3.387934 H C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=54) 0 -20.804747 -18.079844 -1.371684 H H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=54) 0 -21.564732 -17.824984 -0.637477 H H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=54) 0 -20.883898 -19.144501 -1.587990 H C-C-0.597300(PDBName=C,ResName=GLY,ResNum=54) 0 -19.457565 -17.818973 -0.729758 H O-O--0.567900(PDBName=O,ResName=GLY,ResNum=54) 0 -19.314216 -17.738880 0.482626 H N-N--0.415700(PDBName=N,ResName=HID,ResNum=55) 0 -18.457946 -17.697535 -1.604060 H H-H-0.271900(PDBName=H,ResName=HID,ResNum=55) 0 -18.685118 -17.738661 -2.584775 H C-CT-0.018800(PDBName=CA,ResName=HID,ResNum=55) 0 -17.106344 -17.368884 -1.241746 H H-H1-0.088100(PDBName=HA,ResName=HID,ResNum=55) 0 -16.756853 -18.049730 -0.466174 H C-CT--0.046200(PDBName=CB,ResName=HID,ResNum=55) 0 -16.255952 -17.525260 -2.514900 H H-HC-0.040200(PDBName=HB2,ResName=HID,ResNum=55) 0 -16.669453 -16.892828 -3.302808 H H-HC-0.040200(PDBName=HB3,ResName=HID,ResNum=55) 0 -15.246641 -17.171528 -2.336995 H C-CC--0.026600(PDBName=CG,ResName=HID,ResNum=55) 0 -16.253581 -18.936673 -2.989237 H N-NA--0.381100(PDBName=ND1,ResName=HID,ResNum=55) 0 -15.416701 -19.905788 -2.487592 H H-H-0.364900(PDBName=HD1,ResName=HID,ResNum=55) 0 -14.506646 -19.754122 -2.071951 H C-CR-0.205700(PDBName=CE1,ResName=HID,ResNum=55) 0 -15.750384 -21.071070 -3.069554 H H-H5-0.139200(PDBName=HE1,ResName=HID,ResNum=55) 0 -15.215685 -21.986106 -2.889962 H N-NB--0.572700(PDBName=NE2,ResName=HID,ResNum=55) 0 -16.778491 -20.936529 -3.868032 H C-CV-0.129200(PDBName=CD2,ResName=HID,ResNum=55) 0 -17.090150 -19.602580 -3.838046 H H-H4-0.114700(PDBName=HD2,ResName=HID,ResNum=55) 0 -17.868368 -19.186939 -4.456484 H C-C-0.597300(PDBName=C,ResName=HID,ResNum=55) 0 -17.047364 -15.974171 -0.611292 H O-O--0.567900(PDBName=O,ResName=HID,ResNum=55) 0 -16.392116 -15.737085 0.399008 H N-N--0.415700(PDBName=N,ResName=CYS,ResNum=56) 0 -17.806423 -15.053315 -1.205069 H H-H-0.271900(PDBName=H,ResName=CYS,ResNum=56) 0 -18.221346 -15.250453 -2.108374 H C-CT-0.021300(PDBName=CA,ResName=CYS,ResNum=56) 0 -17.903345 -13.711010 -0.706041 H H-H1-0.112400(PDBName=HA,ResName=CYS,ResNum=56) 0 -16.910675 -13.269008 -0.628312 H C-CT--0.123100(PDBName=CB,ResName=CYS,ResNum=56) 0 -18.789284 -12.878303 -1.631085 H H-H1-0.111200(PDBName=HB2,ResName=CYS,ResNum=56) 0 -19.789180 -13.302474 -1.670597 H H-H1-0.111200(PDBName=HB3,ResName=CYS,ResNum=56) 0 -18.893026 -11.877889 -1.211969 H S-SH--0.311900(PDBName=SG,ResName=CYS,ResNum=56) 0 -18.107832 -12.760893 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-10.622140 -15.578372 -2.382389 H H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=120) 0 -12.023618 -16.354152 -3.042104 H C-CT-0.090430(PDBName=C1,ResName=GDS,ResNum=238) 0 -11.870604 -19.275242 -4.821148 H C-C-0.795436(PDBName=C15,ResName=GDS,ResNum=238) 0 -12.568369 -19.141382 -3.468430 H O-O2--0.768529(PDBName=O1,ResName=GDS,ResNum=238) 0 -12.584485 -20.131481 -2.708931 H O-O2--0.768529(PDBName=O2,ResName=GDS,ResNum=238) 0 -13.112023 -18.042628 -3.249652 H N-N3--0.516764(PDBName=N1,ResName=GDS,ResNum=238) 0 -10.961687 -20.451024 -4.767281 H H-H-0.336685(PDBName=H21,ResName=GDS,ResNum=238) 0 -11.473638 -21.328849 -4.694192 H H-H-0.336685(PDBName=H22,ResName=GDS,ResNum=238) 0 -10.343925 -20.393356 -3.946584 H H-H-0.336685(PDBName=H25,ResName=GDS,ResNum=238) 0 -10.369203 -20.522512 -5.603783 H H-HP-0.075961(PDBName=H5,ResName=GDS,ResNum=238) 0 -11.232191 -18.409034 -4.977775 H C-CT-0.021774(PDBName=C7,ResName=GDS,ResNum=238) 0 -12.873299 -19.403250 -5.973949 H H-HC-0.040870(PDBName=H9,ResName=GDS,ResNum=238) 0 -13.622261 -20.155472 -5.719132 H H-HC-0.040870(PDBName=H10,ResName=GDS,ResNum=238) 0 -12.355069 -19.752985 -6.867263 H C-CT--0.669382(PDBName=C11,ResName=GDS,ResNum=238) 0 -13.540519 -18.061440 -6.259254 H H-HC-0.225501(PDBName=H17,ResName=GDS,ResNum=238) 0 -13.877600 -17.604919 -5.333365 H H-HC-0.225501(PDBName=H18,ResName=GDS,ResNum=238) 0 -12.805529 -17.387804 -6.703556 H C-C-1.051032(PDBName=C13,ResName=GDS,ResNum=238) 0 -14.676371 -18.118455 -7.249158 H N-N--0.847389(PDBName=N2,ResName=GDS,ResNum=238) 0 -15.690911 -17.277824 -7.006799 H C-CT-0.125808(PDBName=C2,ResName=GDS,ResNum=238) 0 -16.719807 -17.065468 -7.985498 H C-CT--0.228215(PDBName=C8,ResName=GDS,ResNum=238) 0 -17.855155 -16.211240 -7.400008 H S-S--0.127891(PDBName=S1,ResName=GDS,ResNum=238) 0 -18.691395 -16.865814 -5.910084 H S-S--0.127891(PDBName=S2,ResName=GDS,ResNum=238) 0 -19.295923 -19.559371 -8.891623 H C-CT--0.228215(PDBName=C9,ResName=GDS,ResNum=238) 0 -20.556560 -19.085481 -10.084411 H C-CT-0.125808(PDBName=C5,ResName=GDS,ResNum=238) 0 -21.947003 -18.921151 -9.471995 H C-C-0.499365(PDBName=C19,ResName=GDS,ResNum=238) 0 -22.920600 -18.808279 -10.636529 H N-N--0.214693(PDBName=N4,ResName=GDS,ResNum=238) 0 -23.472938 -17.590671 -10.788448 H C-CT--0.457591(PDBName=C4,ResName=GDS,ResNum=238) 0 -24.473357 -17.194846 -11.735680 H H-H1-0.143996(PDBName=H3,ResName=GDS,ResNum=238) 0 -25.387974 -17.772341 -11.687400 H H-H1-0.143996(PDBName=H4,ResName=GDS,ResNum=238) 0 -24.135312 -17.148920 -12.765376 H H-H-0.267948(PDBName=H30,ResName=GDS,ResNum=238) 0 -23.346400 -16.874600 -10.100407 H O-O--0.591564(PDBName=O11,ResName=GDS,ResNum=238) 0 -23.116178 -19.729047 -11.410044 H N-N--0.847389(PDBName=N5,ResName=GDS,ResNum=238) 0 -22.313772 -19.995978 -8.607874 H C-C-1.051032(PDBName=C14,ResName=GDS,ResNum=238) 0 -22.868596 -19.780224 -7.411441 H C-CT--0.669382(PDBName=C12,ResName=GDS,ResNum=238) 0 -23.184887 -21.049548 -6.656978 H H-HC-0.225501(PDBName=H19,ResName=GDS,ResNum=238) 0 -22.328740 -21.285593 -6.030204 H H-HC-0.225501(PDBName=H20,ResName=GDS,ResNum=238) 0 -23.336636 -21.846053 -7.378837 H O-O--0.715130(PDBName=O12,ResName=GDS,ResNum=238) 0 -23.046819 -18.658816 -6.925221 H H-H-0.433401(PDBName=H28,ResName=GDS,ResNum=238) 0 -22.159744 -20.951839 -8.943679 H H-H1-0.041154(PDBName=H7,ResName=GDS,ResNum=238) 0 -21.972481 -18.015847 -8.874240 H H-H1-0.190294(PDBName=H13,ResName=GDS,ResNum=238) 0 -20.589835 -19.866125 -10.840393 H H-H1-0.190294(PDBName=H14,ResName=GDS,ResNum=238) 0 -20.308403 -18.154454 -10.602663 H H-H1-0.190294(PDBName=H11,ResName=GDS,ResNum=238) 0 -18.602270 -16.062360 -8.178872 H H-H1-0.190294(PDBName=H12,ResName=GDS,ResNum=238) 0 -17.457632 -15.230148 -7.155244 H C-C-0.499365(PDBName=C16,ResName=GDS,ResNum=238) 0 -16.086274 -16.337195 -9.189912 H O-O--0.591564(PDBName=O10,ResName=GDS,ResNum=238) 0 -15.218790 -15.501873 -9.000583 H N-N--0.214693(PDBName=N3,ResName=GDS,ResNum=238) 0 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H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=252) 0 -17.944629 -19.064182 -12.199759 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=252) 0 -17.346529 -19.721627 -10.963040 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=254) 0 -16.355613 -23.643846 -4.784113 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=254) 0 -16.732423 -22.760922 -4.654389 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=254) 0 -16.127779 -23.675501 -5.714057 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=256) 0 -20.049488 -13.952772 -7.899705 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=256) 0 -19.730768 -14.298975 -8.752397 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=256) 0 -21.006268 -13.970044 -8.036030 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=268) 0 -22.935108 -18.332137 -4.295059 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=268) 0 -22.952223 -18.468804 -5.282081 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=268) 0 -23.573424 -17.590937 -4.233116 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=373) 0 -16.683125 -10.888886 0.218492 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=373) 0 -16.589713 -9.436876 1.063650 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=373) 0 -17.194925 -11.538307 0.733690 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=800) 0 413.701721 -10.277858 -29.675413 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=800) 0 413.360544 -11.165347 -29.785922 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=800) 0 412.923205 -9.736660 -29.543965 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1001) 0 -19.496083 -15.187791 -10.400907 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1001) 0 -20.387366 -15.220276 -10.846231 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1001) 0 -18.942430 -15.327732 -11.212698 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1076) 0 -13.598304 -19.607987 -11.868083 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1076) 0 -13.238696 -18.816894 -12.311951 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1076) 0 -14.424200 -19.317106 -11.473990 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1088) 0 -19.356981 -23.526927 -9.671862 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1088) 0 -19.263035 -24.134028 -10.406977 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1088) 0 -20.197339 -23.067485 -9.842192 H C-C-0.597300(PDBName=C,ResName=CYS,ResNum=56) 0 -18.498289 -13.688017 0.689167 H O-O--0.567900(PDBName=O,ResName=CYS,ResNum=56) 0 -18.129240 -12.873925 1.532131 H N-N--0.347900(PDBName=N,ResName=LYS,ResNum=57) 0 -19.478856 -14.568533 0.894548 H H-H-0.274700(PDBName=H,ResName=LYS,ResNum=57) 0 -19.805446 -15.154894 0.135358 H C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=81) 0 -18.881303 -4.066032 3.236947 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=81) 0 -19.388358 -4.751147 2.556317 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=81) 0 -18.371509 -4.637841 4.014217 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=81) 0 -19.895673 -3.113184 3.878262 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=81) 0 -19.409546 -2.589265 4.707601 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=81) 0 -20.177592 -2.367602 3.128895 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=81) 0 -21.129598 -3.776815 4.356676 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=81) 0 -21.782225 -3.058402 4.671844 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=81) 0 -21.601853 -4.259077 3.605300 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=81) 0 -20.978319 -4.399171 5.145374 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=241) 0 -20.712234 -2.864706 -0.007318 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=241) 0 -20.260799 -2.191767 -0.550026 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=241) 0 -21.644190 -2.624246 -0.149919 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=247) 0 -12.167714 -19.378427 -9.385435 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=247) 0 -13.032712 -19.247627 -8.970823 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=247) 0 -12.403277 -19.636890 -10.287370 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=290) 0 -24.388767 -22.100681 -10.358575 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=290) 0 -24.983284 -21.469985 -9.897636 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=290) 0 -24.022708 -21.528625 -11.046360 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=300) 0 -20.692715 -22.846639 -4.997065 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=300) 0 -21.638169 -23.016325 -4.777135 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=300) 0 -20.172465 -22.934852 -4.189509 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=510) 0 -19.125064 -22.345261 -2.628192 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=510) 0 -18.476465 -22.583366 -1.942739 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=510) 0 -18.597403 -21.789879 -3.217791 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=702) 0 -21.600721 -17.725753 -13.239607 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=702) 0 -22.359850 -18.243514 -12.950804 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=702) 0 -21.714802 -16.888434 -12.752839 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=714) 0 -19.270149 -19.214350 -13.244986 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=714) 0 -20.075107 -18.671059 -13.143389 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=714) 0 -18.910254 -18.930619 -14.103917 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=928) 0 -21.933088 -22.648292 -9.323148 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=928) 0 -22.841225 -22.730113 -9.673826 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=928) 0 -21.798249 -23.228550 -8.548126 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1135) 0 -17.555107 -7.108298 4.910873 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1135) 0 -16.908554 -7.165541 4.195127 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1135) 0 -17.324172 -7.824814 5.513896 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1274) 0 -26.615361 -6.495136 21.062965 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1274) 0 -26.788573 -7.314304 20.588946 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1274) 0 -25.777423 -6.201771 20.636697 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1283) 0 -20.787681 -24.146169 -7.383229 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1283) 0 -20.511127 -23.626633 -6.604779 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1283) 0 -20.062707 -24.117510 -8.029824 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=249) 0 -12.224193 -15.292134 -5.177582 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=249) 0 -13.183392 -15.275357 -5.344551 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=249) 0 -12.067690 -14.358550 -4.918298 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=265) 0 -24.291664 -18.742207 -1.834548 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=265) 0 -23.688668 -18.774507 -2.602275 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=265) 0 -23.902475 -19.436239 -1.262019 L N-N3-0.159200(PDBName=N,ResName=MET,ResNum=1) 0 -13.502340 23.415245 -13.165210 L H-H-0.198400(PDBName=H1,ResName=MET,ResNum=1) 0 -13.985754 22.547874 -13.355416 L H-H-0.198400(PDBName=H2,ResName=MET,ResNum=1) 0 -12.551766 23.199256 -12.886425 L H-H-0.198400(PDBName=H3,ResName=MET,ResNum=1) 0 -13.453895 23.948423 -14.025118 L C-CT-0.022100(PDBName=CA,ResName=MET,ResNum=1) 0 -14.210495 24.172822 -12.117941 L H-HP-0.111600(PDBName=HA,ResName=MET,ResNum=1) 0 -13.724572 25.141498 -12.002406 L C-CT-0.086500(PDBName=CB,ResName=MET,ResNum=1) 0 -15.673535 24.407450 -12.527961 L H-HC-0.012500(PDBName=HB2,ResName=MET,ResNum=1) 0 -15.693942 24.834971 -13.530955 L H-HC-0.012500(PDBName=HB3,ResName=MET,ResNum=1) 0 -16.200278 23.454740 -12.555012 L C-CT-0.033400(PDBName=CG,ResName=MET,ResNum=1) 0 -16.423737 25.359597 -11.592586 L H-H1-0.029200(PDBName=HG2,ResName=MET,ResNum=1) 0 -16.345970 24.998560 -10.566702 L H-H1-0.029200(PDBName=HG3,ResName=MET,ResNum=1) 0 -15.956532 26.342960 -11.655179 L S-S--0.277400(PDBName=SD,ResName=MET,ResNum=1) 0 -18.182139 25.527162 -11.998177 L C-CT--0.034100(PDBName=CE,ResName=MET,ResNum=1) 0 -18.618156 26.959765 -10.979195 L H-H1-0.059700(PDBName=HE1,ResName=MET,ResNum=1) 0 -17.976382 27.805079 -11.230806 L H-H1-0.059700(PDBName=HE2,ResName=MET,ResNum=1) 0 -19.659686 27.231050 -11.153313 L H-H1-0.059700(PDBName=HE3,ResName=MET,ResNum=1) 0 -18.490759 26.709122 -9.927901 L C-C-0.612300(PDBName=C,ResName=MET,ResNum=1) 0 -14.073855 23.416971 -10.803302 L O-O--0.571300(PDBName=O,ResName=MET,ResNum=1) 0 -14.902305 22.565392 -10.473215 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=2) 0 -12.984108 23.672532 -10.081600 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=2) 0 -12.383682 24.439748 -10.374568 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=2) 0 -12.608649 22.945197 -8.872854 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=2) 0 -12.978492 21.925284 -8.965670 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=2) 0 -11.070046 22.880716 -8.792459 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=2) 0 -10.701033 22.351743 -9.671703 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=2) 0 -10.667036 23.894832 -8.817044 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=2) 0 -10.531892 22.176153 -7.532685 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=2) 0 -10.746569 22.780660 -6.653380 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=2) 0 -11.145438 20.795770 -7.331154 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=2) 0 -10.936640 20.160254 -8.191606 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=2) 0 -10.716702 20.345644 -6.439642 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=2) 0 -12.216988 20.866623 -7.171247 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=2) 0 -9.020836 22.019405 -7.635259 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=2) 0 -8.570610 23.001981 -7.748837 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=2) 0 -8.635698 21.558623 -6.725095 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=2) 0 -8.760838 21.394286 -8.489509 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=2) 0 -13.266623 23.559327 -7.631338 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=2) 0 -12.674974 24.410181 -6.962580 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=3) 0 -14.499034 23.141228 -7.321260 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=3) 0 -14.960655 22.487304 -7.942861 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=3) 0 -15.221599 23.573416 -6.113797 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=3) 0 -14.506788 23.566580 -5.291805 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=3) 0 -15.713704 25.020366 -6.320792 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=3) 0 -15.227422 25.452057 -7.193554 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=3) 0 -16.783997 25.044609 -6.507290 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=3) 0 -15.362494 25.898710 -5.115500 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=3) 0 -15.983796 25.610337 -4.270922 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=3) 0 -14.312735 25.758765 -4.852695 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=3) 0 -15.580826 27.377776 -5.440035 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=3) 0 -14.937660 27.640714 -6.279615 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=3) 0 -16.616346 27.544047 -5.736772 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=3) 0 -15.246069 28.237549 -4.296397 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=3) 0 -14.365874 28.734713 -4.319015 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=3) 0 -15.956268 28.395177 -3.198801 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=3) 0 -17.114100 27.837259 -3.011896 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=3) 0 -17.529984 27.265359 -3.737567 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=3) 0 -17.571907 27.969339 -2.129257 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=3) 0 -15.488682 29.120344 -2.235078 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=3) 0 -14.591221 29.570504 -2.356019 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=3) 0 -15.953908 29.131573 -1.336927 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=3) 0 -16.340152 22.602663 -5.710950 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=3) 0 -16.696573 21.720488 -6.488191 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=4) 0 -16.807493 22.728972 -4.463910 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=4) 0 -16.399838 23.486487 -3.924924 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=4) 0 -17.746466 21.877853 -3.702041 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=4) 0 -17.333170 21.862372 -2.693977 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=4) 0 -19.134062 22.521478 -3.558969 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=4) 0 -19.025240 23.587793 -3.353783 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=4) 0 -19.702179 22.399728 -4.476546 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=4) 0 -19.895546 21.871288 -2.396803 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=4) 0 -19.886425 20.785602 -2.499892 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=4) 0 -19.405319 22.136762 -1.460422 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=4) 0 -21.351009 22.330462 -2.369844 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=4) 0 -21.392888 23.418623 -2.291182 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=4) 0 -21.816743 22.019048 -3.305100 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=4) 0 -22.062258 21.720123 -1.237515 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=4) 0 -21.495641 21.376107 -0.468048 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=4) 0 -23.365069 21.606984 -1.089848 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=4) 0 -24.213749 22.066850 -1.958318 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=4) 0 -23.885951 22.502768 -2.815653 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=4) 0 -25.201859 21.962863 -1.775323 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=4) 0 -23.867011 21.012799 -0.051979 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=4) 0 -23.277547 20.562574 0.640136 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=4) 0 -24.873726 20.923172 -0.017959 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=4) 0 -17.785495 20.397502 -4.088013 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=4) 0 -17.077447 19.618482 -3.461071 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=5) 0 -18.586107 19.997266 -5.077851 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=5) 0 -19.106763 20.698607 -5.593923 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=5) 0 -18.715412 18.598149 -5.504802 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=5) 0 -18.838160 17.987909 -4.607762 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=5) 0 -19.995497 18.456098 -6.338334 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=5) 0 -19.893056 19.006213 -7.273477 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=5) 0 -20.174213 17.403752 -6.563249 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=5) 0 -20.848983 18.844353 -5.781235 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=5) 0 -17.469061 18.038163 -6.231253 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=5) 0 -17.504591 16.910902 -6.730153 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=6) 0 -16.384335 18.815526 -6.305023 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=6) 0 -16.490187 19.778556 -6.016564 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=6) 0 -15.067096 18.399870 -6.785963 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=6) 0 -15.081760 17.318564 -6.926482 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=6) 0 -14.822362 19.096949 -8.140306 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=6) 0 -15.775768 19.300947 -8.632016 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=6) 0 -14.345031 20.058610 -7.953736 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=6) 0 -13.958483 18.266669 -9.103726 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=6) 0 -13.092710 17.853608 -8.588805 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=6) 0 -14.776443 17.127464 -9.705512 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=6) 0 -15.647301 17.525148 -10.220123 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=6) 0 -14.164536 16.571943 -10.411328 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=6) 0 -15.108476 16.447613 -8.923394 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=6) 0 -13.463772 19.148255 -10.246448 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=6) 0 -12.775792 19.892640 -9.853985 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=6) 0 -12.933494 18.534429 -10.973243 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=6) 0 -14.301156 19.646834 -10.731110 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=6) 0 -13.925539 18.686750 -5.785519 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=6) 0 -12.763455 18.424236 -6.103333 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=7) 0 -14.203625 19.241584 -4.597934 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=7) 0 -15.170276 19.252045 -4.288172 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=7) 0 -13.189877 19.836827 -3.713937 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=7) 0 -12.201360 19.483074 -4.011278 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=7) 0 -13.233439 21.364895 -3.916298 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=7) 0 -13.033639 21.582547 -4.965639 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=7) 0 -14.241477 21.708267 -3.683062 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=7) 0 -12.247404 22.169424 -3.048739 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=7) 0 -12.460639 22.004004 -1.992945 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=7) 0 -10.796176 21.790959 -3.328858 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=7) 0 -10.573315 21.882322 -4.390834 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=7) 0 -10.139473 22.452966 -2.771656 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=7) 0 -10.598044 20.770312 -3.004575 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=7) 0 -12.411819 23.660909 -3.336854 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=7) 0 -13.434915 23.967895 -3.126359 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=7) 0 -11.741702 24.234295 -2.696027 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=7) 0 -12.172539 23.867218 -4.378070 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=7) 0 -13.379958 19.474422 -2.232480 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=7) 0 -14.368585 19.870970 -1.611793 L N-N--0.415700(PDBName=N,ResName=CYS,ResNum=8) 0 -12.369999 18.843613 -1.629978 L H-H-0.271900(PDBName=H,ResName=CYS,ResNum=8) 0 -11.584298 18.535767 -2.194240 L C-CT-0.021300(PDBName=CA,ResName=CYS,ResNum=8) 0 -12.274713 18.685770 -0.179509 L H-H1-0.112400(PDBName=HA,ResName=CYS,ResNum=8) 0 -13.223681 18.294561 0.192587 L C-CT--0.123100(PDBName=CB,ResName=CYS,ResNum=8) 0 -11.173234 17.675083 0.150175 L H-H1-0.111200(PDBName=HB2,ResName=CYS,ResNum=8) 0 -11.278675 16.802512 -0.488848 L H-H1-0.111200(PDBName=HB3,ResName=CYS,ResNum=8) 0 -10.189881 18.114931 -0.023842 L S-SH--0.311900(PDBName=SG,ResName=CYS,ResNum=8) 0 -11.329940 17.181455 1.889769 L H-HS-0.193300(PDBName=HG,ResName=CYS,ResNum=8) 0 -12.416702 16.408801 1.722280 L C-C-0.597300(PDBName=C,ResName=CYS,ResNum=8) 0 -11.998570 20.043169 0.484215 L O-O--0.567900(PDBName=O,ResName=CYS,ResNum=8) 0 -10.869927 20.539112 0.476794 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=9) 0 -13.032172 20.665824 1.044767 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=9) 0 -13.936161 20.209653 1.030062 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=9) 0 -12.952827 21.987940 1.661395 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=9) 0 -12.128422 22.531142 1.199499 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=9) 0 -14.270952 22.719470 1.359444 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=9) 0 -14.628036 22.442396 0.365701 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=9) 0 -15.018360 22.393392 2.082624 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=9) 0 -14.140833 24.243977 1.416529 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=9) 0 -13.599121 24.524107 2.316396 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=9) 0 -13.416277 24.793997 0.184059 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=9) 0 -13.967777 24.565417 -0.721391 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=9) 0 -13.310026 25.873198 0.266238 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=9) 0 -12.422462 24.360425 0.094722 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=9) 0 -15.531897 24.860921 1.487691 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=9) 0 -15.997593 24.580031 2.431178 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=9) 0 -15.453628 25.943423 1.443836 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=9) 0 -16.147088 24.504449 0.664972 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=9) 0 -12.657772 21.880523 3.166766 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=9) 0 -13.084933 20.915767 3.803160 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=10) 0 -11.956192 22.861190 3.742716 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=10) 0 -11.644195 23.635387 3.168037 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=10) 0 -11.593349 22.895205 5.164072 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=10) 0 -11.290552 21.895572 5.476634 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=10) 0 -10.383166 23.827162 5.325384 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=10) 0 -10.646398 24.844737 5.034192 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=10) 0 -10.058767 23.824739 6.366675 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=10) 0 -9.560003 23.481055 4.699994 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=10) 0 -12.794993 23.320638 6.031550 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=10) 0 -13.006124 24.513705 6.271359 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=11) 0 -13.654917 22.368938 6.412020 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=11) 0 -13.427204 21.403527 6.185700 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=11) 0 -15.011744 22.660091 6.918754 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=11) 0 -14.949996 23.530332 7.571960 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=11) 0 -15.879555 23.041395 5.691372 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=11) 0 -15.241659 23.577222 4.986888 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=11) 0 -16.427945 21.837666 4.921675 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=11) 0 -17.330326 21.441510 5.383661 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=11) 0 -16.657020 22.140643 3.905366 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=11) 0 -15.673414 21.052880 4.877663 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=11) 0 -16.985237 24.041518 6.038200 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=11) 0 -16.555997 24.899641 6.556169 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=11) 0 -17.444499 24.397013 5.118685 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=11) 0 -17.754051 23.593657 6.659760 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=11) 0 -15.580036 21.503246 7.772710 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=11) 0 -14.816996 20.666049 8.261010 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=12) 0 -16.899470 21.469146 7.996060 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=12) 0 -17.456335 22.222467 7.626217 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=12) 0 -17.632725 20.346658 8.586932 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=12) 0 -16.999132 19.457677 8.584277 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=12) 0 -17.952335 20.690467 10.048390 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=12) 0 -18.561987 21.593530 10.101643 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=12) 0 -18.497157 19.863443 10.505611 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=12) 0 -17.024872 20.845990 10.601084 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=12) 0 -18.893058 20.008335 7.756866 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=12) 0 -19.986648 20.527524 8.003706 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=13) 0 -18.739721 19.161697 6.740603 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=13) 0 -17.798483 18.819712 6.559508 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=13) 0 -19.808072 18.598354 5.909908 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=13) 0 -20.775651 18.917244 6.294686 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=13) 0 -19.660522 19.146744 4.484701 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=13) 0 -18.692816 18.855423 4.071516 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=13) 0 -20.450381 18.747338 3.847668 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=13) 0 -19.730094 20.234896 4.497150 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=13) 0 -19.781048 17.057174 5.952908 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=13) 0 -18.730968 16.472642 6.230771 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=14) 0 -20.919315 16.405761 5.680036 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=14) 0 -21.730760 16.975527 5.482338 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=14) 0 -21.130486 14.945965 5.711720 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=14) 0 -22.207649 14.791894 5.635532 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=14) 0 -20.543801 14.324382 4.426709 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=14) 0 -21.119227 14.712733 3.584735 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=14) 0 -19.527599 14.685621 4.302530 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=14) 0 -20.507098 12.788654 4.317491 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=14) 0 -19.840572 12.383744 5.074193 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=14) 0 -21.876568 12.140522 4.495391 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=14) 0 -22.551057 12.481123 3.715014 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=14) 0 -21.776025 11.057005 4.424903 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=14) 0 -22.288101 12.379594 5.474874 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=14) 0 -19.955462 12.418415 2.939577 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=14) 0 -18.929874 12.774749 2.844431 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=14) 0 -19.963641 11.338891 2.811579 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=14) 0 -20.561358 12.868735 2.157157 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=14) 0 -20.747970 14.294367 7.062531 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=14) 0 -21.615956 14.172424 7.929242 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=15) 0 -19.484352 13.926209 7.278161 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=15) 0 -18.824776 14.094230 6.525792 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=15) 0 -18.926372 13.443022 8.560884 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=15) 0 -19.452285 13.936336 9.379016 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=15) 0 -19.140614 11.918192 8.701638 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=15) 0 -20.194045 11.714150 8.512733 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=15) 0 -18.319934 11.084883 7.711005 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=15) 0 -17.256185 11.234416 7.885504 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=15) 0 -18.545938 10.026484 7.842689 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=15) 0 -18.562528 11.365516 6.689123 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=15) 0 -18.840142 11.425643 10.117940 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=15) 0 -19.450108 11.975275 10.830221 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=15) 0 -19.085597 10.366654 10.195897 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=15) 0 -17.787843 11.554466 10.364127 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=15) 0 -17.442820 13.823231 8.667038 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=15) 0 -16.782644 13.959362 7.633938 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=16) 0 -16.882808 14.003882 9.870163 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=16) 0 -17.462499 13.904377 10.698759 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=16) 0 -15.437255 14.250678 10.045491 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=16) 0 -15.173869 15.145095 9.482287 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=16) 0 -15.116348 14.496466 11.530158 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=16) 0 -15.823306 15.213326 11.942171 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=16) 0 -15.247537 13.558426 12.069447 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=16) 0 -13.694432 15.040369 11.770975 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=16) 0 -12.982384 14.603947 11.078074 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=16) 0 -13.690258 16.121983 11.630923 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=16) 0 -13.225494 14.694092 13.183119 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=16) 0 -13.881545 15.184027 13.899296 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=16) 0 -13.307677 13.616438 13.331780 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=16) 0 -11.838923 15.117100 13.435945 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=16) 0 -11.711172 15.898961 14.067744 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=16) 0 -10.743904 14.442255 13.143511 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=16) 0 -10.732286 13.341747 12.454306 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=16) 0 -11.595675 12.900069 12.156773 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=16) 0 -9.871016 12.819970 12.409206 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=16) 0 -9.583339 14.846606 13.557595 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=16) 0 -9.512119 15.597105 14.230734 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=16) 0 -8.807060 14.212072 13.425864 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=16) 0 -14.601110 13.075925 9.517010 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=16) 0 -14.965450 11.918222 9.723546 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=17) 0 -13.438508 13.377458 8.936680 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=17) 0 -13.230658 14.355813 8.778178 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=17) 0 -12.381336 12.412505 8.634568 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=17) 0 -12.743567 11.763865 7.841585 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=17) 0 -11.164938 13.185344 8.113758 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=17) 0 -10.768338 13.834303 8.896074 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=17) 0 -10.384599 12.493092 7.794473 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=17) 0 -11.459311 13.793175 7.259416 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=17) 0 -12.016033 11.498816 9.824076 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=17) 0 -12.425879 11.735121 10.960850 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=18) 0 -11.276431 10.425076 9.540018 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=18) 0 -10.940783 10.356068 8.588992 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=18) 0 -11.235635 9.160708 10.297197 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=18) 0 -10.503469 8.540758 9.780498 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=18) 0 -10.684904 9.333973 11.722581 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=18) 0 -9.725708 9.849732 11.674204 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=18) 0 -11.366364 9.937499 12.320103 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=18) 0 -10.497218 7.980421 12.410645 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=18) 0 -9.542302 7.255532 12.050252 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=18) 0 -11.311245 7.641276 13.308040 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=18) 0 -12.547747 8.352280 10.246232 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=18) 0 -12.489440 7.123989 10.272779 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=19) 0 -13.711928 8.981264 10.053924 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=19) 0 -13.725497 9.992489 10.067681 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=19) 0 -14.879745 8.309592 9.487468 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=19) 0 -14.797059 7.237205 9.647145 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=19) 0 -16.157733 8.731925 10.216300 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=19) 0 -16.340516 9.792527 10.066616 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=19) 0 -17.005051 8.174438 9.815076 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=19) 0 -16.067458 8.522750 11.280796 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=19) 0 -14.948219 8.596356 7.974452 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=19) 0 -15.225745 9.730079 7.577253 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=20) 0 -14.707354 7.601268 7.108041 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=20) 0 -14.126676 6.305698 7.419254 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=20) 0 -14.774844 5.731573 8.082105 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=20) 0 -13.146284 6.440165 7.872827 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=20) 0 -13.985581 5.581521 6.085411 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=20) 0 -14.772879 4.833999 5.988606 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=20) 0 -13.000077 5.134665 6.011016 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=20) 0 -14.177878 6.664626 5.029018 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=20) 0 -14.553266 6.259733 4.088900 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=20) 0 -13.229024 7.171816 4.861147 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=20) 0 -15.153898 7.621458 5.720504 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=20) 0 -15.081946 8.615219 5.277911 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=20) 0 -16.617879 7.145200 5.696937 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=20) 0 -17.308338 7.164132 6.722871 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=21) 0 -17.105338 6.632678 4.567037 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=21) 0 -16.525744 6.603090 3.743483 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=21) 0 -18.280332 5.765210 4.636597 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=21) 0 -18.916556 6.199337 5.394432 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=21) 0 -19.079672 5.777834 3.328023 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=21) 0 -19.156635 6.804937 2.972349 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=21) 0 -18.559317 5.193676 2.568537 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=21) 0 -20.501389 5.231575 3.525982 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=21) 0 -21.069021 5.432406 2.616651 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=21) 0 -20.446729 4.150935 3.671478 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=21) 0 -21.205519 5.876894 4.729712 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=21) 0 -21.706261 7.020452 4.615643 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=21) 0 -21.084792 5.336648 5.856960 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=21) 0 -17.886108 4.362867 5.128337 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=21) 0 -16.909332 3.802126 4.640121 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=22) 0 -18.598025 3.803569 6.112845 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=22) 0 -19.458291 4.257772 6.404211 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=22) 0 -18.255045 2.525665 6.762286 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=22) 0 -17.898131 1.851876 5.988948 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=22) 0 -17.098849 2.686644 7.774074 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=22) 0 -16.949566 1.726239 8.270013 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=22) 0 -16.179973 2.917647 7.236646 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=22) 0 -17.302193 3.771601 8.839242 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=22) 0 -17.079934 4.750435 8.409709 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=22) 0 -18.341627 3.776557 9.160239 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=22) 0 -16.408245 3.517848 10.056527 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=22) 0 -15.187447 3.792720 10.005955 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=22) 0 -16.924857 3.033112 11.097733 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=22) 0 -19.457715 1.821036 7.423828 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=22) 0 -20.369600 2.465798 7.949301 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=23) 0 -19.437416 0.486329 7.410838 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=23) 0 -18.628000 0.035626 6.986522 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=23) 0 -20.412130 -0.437549 8.013877 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=23) 0 -20.986870 0.066278 8.792222 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=23) 0 -21.364728 -0.996621 6.939934 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=23) 0 -20.756656 -1.455086 6.160128 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=23) 0 -21.974480 -1.780270 7.391542 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=23) 0 -22.308379 0.035798 6.298582 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=23) 0 -23.026614 0.363982 7.050438 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=23) 0 -21.731388 0.904544 5.981686 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=23) 0 -23.061070 -0.507179 5.069885 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=23) 0 -22.923455 -1.711031 4.724284 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=23) 0 -23.783738 0.282344 4.415881 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=23) 0 -19.634728 -1.612683 8.632263 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=23) 0 -18.711818 -2.119843 8.000155 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=24) 0 -19.961900 -2.054344 9.852709 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=24) 0 -20.754694 -1.639138 10.317987 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=24) 0 -19.115135 -2.978343 10.643870 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=24) 0 -19.532263 -3.009204 11.651432 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=24) 0 -19.170253 -4.418878 10.098010 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=24) 0 -18.738638 -4.458328 9.097097 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=24) 0 -18.560173 -5.047695 10.744098 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=24) 0 -20.566971 -5.023529 10.078013 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=24) 0 -21.033079 -5.448024 8.991362 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=24) 0 -21.169487 -5.172697 11.161340 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=24) 0 -17.652896 -2.492205 10.809106 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=24) 0 -16.726481 -3.292665 10.953924 L N-N--0.415700(PDBName=N,ResName=HID,ResNum=25) 0 -17.423724 -1.177117 10.737846 L H-H-0.271900(PDBName=H,ResName=HID,ResNum=25) 0 -18.233496 -0.566942 10.674802 L C-CT-0.018800(PDBName=CA,ResName=HID,ResNum=25) 0 -16.115776 -0.522146 10.588144 L H-H1-0.088100(PDBName=HA,ResName=HID,ResNum=25) 0 -16.333777 0.535127 10.450519 L C-CT--0.046200(PDBName=CB,ResName=HID,ResNum=25) 0 -15.302431 -0.620606 11.886273 L H-HC-0.040200(PDBName=HB2,ResName=HID,ResNum=25) 0 -14.998092 -1.654859 12.050866 L H-HC-0.040200(PDBName=HB3,ResName=HID,ResNum=25) 0 -14.399123 -0.018592 11.789526 L C-CC--0.026600(PDBName=CG,ResName=HID,ResNum=25) 0 -16.069469 -0.129425 13.084819 L N-NA--0.381100(PDBName=ND1,ResName=HID,ResNum=25) 0 -16.693720 1.090938 13.204803 L H-H-0.364900(PDBName=HD1,ResName=HID,ResNum=25) 0 -16.751982 1.807868 12.483560 L C-CR-0.205700(PDBName=CE1,ResName=HID,ResNum=25) 0 -17.296141 1.137647 14.403216 L H-H5-0.139200(PDBName=HE1,ResName=HID,ResNum=25) 0 -17.881564 1.971711 14.773127 L N-NB--0.572700(PDBName=NE2,ResName=HID,ResNum=25) 0 -17.070724 -0.002071 15.079378 L C-CV-0.129200(PDBName=CD2,ResName=HID,ResNum=25) 0 -16.311088 -0.823764 14.237051 L H-H4-0.114700(PDBName=HD2,ResName=HID,ResNum=25) 0 -15.978061 -1.830820 14.452792 L C-C-0.597300(PDBName=C,ResName=HID,ResNum=25) 0 -15.320520 -0.903548 9.326090 L O-O--0.567900(PDBName=O,ResName=HID,ResNum=25) 0 -14.188765 -0.439690 9.157816 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=26) 0 -15.915953 -1.672829 8.411366 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=26) 0 -16.865259 -1.982633 8.596935 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=26) 0 -15.410923 -1.912308 7.058639 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=26) 0 -14.326751 -1.980034 7.105132 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=26) 0 -15.955401 -3.232610 6.472890 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=26) 0 -17.024070 -3.138937 6.283237 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=26) 0 -15.260826 -3.543179 5.146717 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=26) 0 -14.185183 -3.618866 5.298697 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=26) 0 -15.638052 -4.486199 4.751606 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=26) 0 -15.469844 -2.753789 4.430211 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=26) 0 -15.735267 -4.442641 7.388926 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=26) 0 -16.162725 -5.333816 6.928650 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=26) 0 -14.671166 -4.600492 7.552822 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=26) 0 -16.232911 -4.285320 8.345257 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=26) 0 -15.816983 -0.725702 6.181997 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=26) 0 -17.000587 -0.400480 6.082560 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=27) 0 -14.856830 -0.056086 5.543537 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=27) 0 -13.900449 -0.375210 5.651937 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=27) 0 -15.121053 1.150239 4.756343 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=27) 0 -15.708502 1.819096 5.378459 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=27) 0 -13.832738 1.903092 4.364774 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=27) 0 -13.481500 1.506309 3.416036 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=27) 0 -14.123425 2.939080 4.188983 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=27) 0 -12.620923 1.894889 5.313768 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=27) 0 -12.166927 0.911402 5.296823 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=27) 0 -11.568750 2.853209 4.759950 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=27) 0 -11.966022 3.859025 4.671830 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=27) 0 -10.695479 2.862242 5.411661 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=27) 0 -11.271196 2.516947 3.768043 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=27) 0 -12.943742 2.234229 6.767536 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=27) 0 -13.379736 1.364441 7.255215 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=27) 0 -12.033716 2.509758 7.297355 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=27) 0 -13.655383 3.049334 6.826784 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=27) 0 -15.948031 0.794317 3.510243 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=27) 0 -15.496218 0.011393 2.678935 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=28) 0 -17.146067 1.349265 3.345016 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=28) 0 -17.410420 2.093221 3.980745 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=28) 0 -18.043712 1.013213 2.226424 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=28) 0 -17.786274 0.015250 1.871344 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=28) 0 -19.521909 0.950882 2.637756 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=28) 0 -19.922709 1.952051 2.785349 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=28) 0 -20.330542 0.220938 1.560012 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=28) 0 -21.386225 0.209881 1.832278 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=28) 0 -20.232462 0.729194 0.601091 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=28) 0 -19.973876 -0.801269 1.456904 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=28) 0 -19.678847 0.182871 3.945349 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=28) 0 -19.512049 0.867317 4.769289 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=28) 0 -20.684298 -0.214792 4.021066 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=28) 0 -18.952124 -0.624335 4.003911 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=28) 0 -17.782257 1.975373 1.081457 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=28) 0 -18.484094 2.973377 0.902133 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=29) 0 -16.694994 1.707357 0.361892 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=29) 0 -16.192787 0.853205 0.568907 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=29) 0 -16.127494 2.643556 -0.600698 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=29) 0 -16.265925 3.646176 -0.195148 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=29) 0 -14.612337 2.427184 -0.752193 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=29) 0 -14.434484 1.436201 -1.171489 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=29) 0 -14.227559 3.170254 -1.452802 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=29) 0 -13.842169 2.555922 0.576579 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=29) 0 -14.138917 1.740755 1.228988 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=29) 0 -12.339739 2.433893 0.333639 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=29) 0 -11.994280 3.258957 -0.287216 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=29) 0 -11.807224 2.456376 1.283513 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=29) 0 -12.121184 1.490370 -0.164637 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=29) 0 -14.113652 3.873277 1.306138 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=29) 0 -15.135347 3.891886 1.683865 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=29) 0 -13.445683 3.969237 2.159177 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=29) 0 -13.961467 4.712434 0.626423 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=29) 0 -16.889805 2.639843 -1.925129 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=29) 0 -17.469856 1.635108 -2.343265 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=30) 0 -16.908867 3.815819 -2.543926 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=30) 0 -16.320106 4.542163 -2.144435 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=30) 0 -17.755947 4.223278 -3.663573 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=30) 0 -18.385797 3.391609 -3.972240 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=30) 0 -18.626600 5.416804 -3.207914 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=30) 0 -18.087709 5.994365 -2.456030 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=30) 0 -18.772813 6.077237 -4.058321 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=30) 0 -20.030077 5.107303 -2.671178 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=30) 0 -20.452887 6.027903 -2.266449 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=30) 0 -20.665461 4.806761 -3.496090 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=30) 0 -20.097555 4.026751 -1.597143 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=30) 0 -19.569304 3.135120 -1.932081 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=30) 0 -19.624996 4.415944 -0.696120 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=30) 0 -21.497390 3.659979 -1.345425 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=30) 0 -22.137281 3.694272 -2.131335 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=30) 0 -22.050921 3.316133 -0.204717 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=30) 0 -21.384665 3.248275 0.903707 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=30) 0 -20.382337 3.372471 0.901879 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=30) 0 -21.928179 3.233648 1.764365 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=30) 0 -23.314843 3.034935 -0.164426 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=30) 0 -23.858287 3.111041 -1.012345 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=30) 0 -23.699599 2.637234 0.687547 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=30) 0 -16.904091 4.625751 -4.863416 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=30) 0 -15.767979 5.069887 -4.693159 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=31) 0 -17.485063 4.603779 -6.067459 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=31) 0 -18.435200 4.235208 -6.116972 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=31) 0 -16.869997 5.207497 -7.272251 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=31) 0 -15.885845 4.752549 -7.401333 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=31) 0 -17.675807 4.870440 -8.544929 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=31) 0 -17.208672 5.360491 -9.399694 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=31) 0 -17.621124 3.792655 -8.705591 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=31) 0 -19.154868 5.277515 -8.477400 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=31) 0 -19.610157 4.741584 -7.654614 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=31) 0 -19.237137 6.347146 -8.290453 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=31) 0 -19.966559 4.911269 -9.722221 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=31) 0 -19.687171 3.913257 -10.058792 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=31) 0 -21.020667 4.884129 -9.443051 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=31) 0 -19.786197 5.926307 -10.853435 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=31) 0 -20.077271 6.916631 -10.490248 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=31) 0 -18.733407 5.954883 -11.148299 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=31) 0 -20.626468 5.555622 -12.011150 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=31) 0 -21.610573 5.484919 -11.759958 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=31) 0 -20.546023 6.218123 -12.779810 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=31) 0 -20.348804 4.645432 -12.374835 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=31) 0 -16.565717 6.711367 -7.121506 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=31) 0 -15.780207 7.246183 -7.898056 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=32) 0 -17.079512 7.380408 -6.084143 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=32) 0 -17.765875 6.918173 -5.508506 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=32) 0 -16.590218 8.683365 -5.615000 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=32) 0 -16.434409 9.329413 -6.479958 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=32) 0 -17.632611 9.365575 -4.718506 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=32) 0 -17.186599 10.248873 -4.260151 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=32) 0 -18.485362 9.679627 -5.314454 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=32) 0 -18.082179 8.502446 -3.696830 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=32) 0 -18.422845 9.072583 -2.968595 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=32) 0 -15.258557 8.612900 -4.850351 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=32) 0 -14.299133 9.266259 -5.260916 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=33) 0 -15.210782 7.877206 -3.733230 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=33) 0 -16.001566 7.266556 -3.577425 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=33) 0 -14.454435 8.254771 -2.526894 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=33) 0 -14.060517 9.257819 -2.687994 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=33) 0 -15.442088 8.338446 -1.341267 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=33) 0 -14.962592 8.877881 -0.529455 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=33) 0 -16.316138 8.912108 -1.637252 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=33) 0 -15.902476 6.992913 -0.791116 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=33) 0 -15.566306 5.926089 -1.275994 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=33) 0 -16.707383 6.978923 0.242432 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=33) 0 -17.004834 6.085250 0.584710 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=33) 0 -17.031052 7.846630 0.660359 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=33) 0 -13.226970 7.385712 -2.186518 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=33) 0 -12.729955 7.444940 -1.055902 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=34) 0 -12.771354 6.544715 -3.116297 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=34) 0 -13.255845 6.514423 -4.001866 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=34) 0 -11.775143 5.513071 -2.827185 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=34) 0 -12.106342 4.966291 -1.943788 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=34) 0 -11.720729 4.526131 -3.988821 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=34) 0 -12.712533 4.092017 -4.111675 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=34) 0 -11.465922 5.051501 -4.910351 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=34) 0 -10.719964 3.417671 -3.746988 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=34) 0 -11.066063 2.347110 -2.906038 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=34) 0 -12.049992 2.305668 -2.468080 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=34) 0 -10.134342 1.334781 -2.632927 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=34) 0 -10.402014 0.526210 -1.972431 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=34) 0 -8.860306 1.378589 -3.223804 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=34) 0 -8.140318 0.599707 -3.028360 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=34) 0 -8.519244 2.435500 -4.082175 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=34) 0 -7.550462 2.446268 -4.559895 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=34) 0 -9.441898 3.465165 -4.332847 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=34) 0 -9.172563 4.279589 -4.991309 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=34) 0 -10.380664 6.062188 -2.501464 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=34) 0 -9.849505 5.777736 -1.427200 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=35) 0 -9.791204 6.879858 -3.378575 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=35) 0 -10.234829 7.063713 -4.268482 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=35) 0 -8.480170 7.471403 -3.106532 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=35) 0 -7.780236 6.666303 -2.877874 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=35) 0 -7.983109 8.177255 -4.363756 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=35) 0 -8.626097 9.026780 -4.585810 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=35) 0 -6.965100 8.529184 -4.195858 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=35) 0 -7.981865 7.486203 -5.205996 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=35) 0 -8.509859 8.412605 -1.885972 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=35) 0 -7.540184 8.477502 -1.140447 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=36) 0 -9.647606 9.050051 -1.600150 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=36) 0 -10.396107 9.006611 -2.282272 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=36) 0 -9.897599 9.813690 -0.371584 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=36) 0 -9.118057 10.567127 -0.252918 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=36) 0 -11.241397 10.529707 -0.559052 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=36) 0 -11.128694 11.270711 -1.350764 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=36) 0 -11.973534 9.798852 -0.892636 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=36) 0 -11.829566 11.235044 0.662487 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=36) 0 -11.782169 10.596639 1.540875 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=36) 0 -11.265360 12.142508 0.872808 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=36) 0 -13.291461 11.557551 0.368963 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=36) 0 -13.558971 12.431207 -0.488100 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=36) 0 -14.193144 10.914422 0.959992 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=36) 0 -9.898033 8.926919 0.889870 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=36) 0 -9.519593 9.390760 1.969506 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=37) 0 -10.290685 7.654294 0.788760 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=37) 0 -10.607567 7.311361 -0.111778 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=37) 0 -10.171239 6.693983 1.884889 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=37) 0 -10.484496 7.166983 2.812614 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=37) 0 -11.109225 5.516422 1.639060 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=37) 0 -12.120738 5.891120 1.490158 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=37) 0 -10.792669 4.958682 0.760449 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=37) 0 -11.092838 4.853387 2.503231 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=37) 0 -8.718806 6.253371 2.082925 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=37) 0 -8.245126 6.247924 3.218699 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=38) 0 -7.980917 5.995339 0.996007 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=38) 0 -8.438719 6.011848 0.089522 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=38) 0 -6.533654 5.767122 1.062291 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=38) 0 -6.342024 4.919145 1.720531 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=38) 0 -5.970785 5.446770 -0.337456 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=38) 0 -6.100662 6.320750 -0.974272 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=38) 0 -4.902085 5.275387 -0.214847 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=38) 0 -6.529221 4.240295 -1.105713 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=38) 0 -7.547525 4.449391 -1.427923 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=38) 0 -5.653386 4.021588 -2.340289 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=38) 0 -4.625718 3.804045 -2.046664 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=38) 0 -6.038370 3.185576 -2.920085 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=38) 0 -5.660389 4.919412 -2.956923 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=38) 0 -6.526907 2.965216 -0.272381 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=38) 0 -7.242555 3.071602 0.533529 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=38) 0 -6.832416 2.122643 -0.892570 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=38) 0 -5.533924 2.788704 0.140955 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=38) 0 -5.800723 6.984959 1.664695 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=38) 0 -4.917824 6.834186 2.508845 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=39) 0 -6.186917 8.200023 1.278078 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=39) 0 -6.861691 8.267592 0.523337 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=39) 0 -5.583288 9.443167 1.749828 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=39) 0 -4.501585 9.319105 1.719810 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=39) 0 -5.950227 10.557254 0.767284 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=39) 0 -7.025390 10.724684 0.770186 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=39) 0 -5.439587 11.480420 1.044556 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=39) 0 -5.638818 10.272090 -0.237379 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=39) 0 -5.952769 9.801673 3.202077 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=39) 0 -5.333538 10.692263 3.785104 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=40) 0 -6.920204 9.108209 3.810898 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=40) 0 -7.430674 8.430887 3.261458 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=40) 0 -7.247521 9.216928 5.235009 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=40) 0 -6.814057 10.131068 5.645236 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=40) 0 -8.765952 9.335354 5.366670 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=40) 0 -9.245452 8.432772 4.986600 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=40) 0 -9.023883 9.467341 6.417863 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=40) 0 -9.119247 10.201679 4.806953 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=40) 0 -6.697011 8.042175 6.067708 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=40) 0 -6.323153 8.238464 7.223229 L N-N--0.415700(PDBName=N,ResName=HID,ResNum=41) 0 -6.602722 6.841704 5.486037 L H-H-0.271900(PDBName=H,ResName=HID,ResNum=41) 0 -6.953009 6.742803 4.539572 L C-CT-0.018800(PDBName=CA,ResName=HID,ResNum=41) 0 -6.186829 5.606442 6.155198 L H-H1-0.088100(PDBName=HA,ResName=HID,ResNum=41) 0 -5.885053 5.828723 7.177154 L C-CT--0.046200(PDBName=CB,ResName=HID,ResNum=41) 0 -7.380325 4.647404 6.226648 L H-HC-0.040200(PDBName=HB2,ResName=HID,ResNum=41) 0 -7.677785 4.368105 5.216466 L H-HC-0.040200(PDBName=HB3,ResName=HID,ResNum=41) 0 -7.073050 3.741805 6.750127 L C-CC--0.026600(PDBName=CG,ResName=HID,ResNum=41) 0 -8.569240 5.243927 6.934129 L N-NA--0.381100(PDBName=ND1,ResName=HID,ResNum=41) 0 -8.657380 5.531436 8.275803 L H-H-0.364900(PDBName=HD1,ResName=HID,ResNum=41) 0 -7.923873 5.395809 8.971991 L C-CR-0.205700(PDBName=CE1,ResName=HID,ResNum=41) 0 -9.865928 6.060774 8.511127 L H-H5-0.139200(PDBName=HE1,ResName=HID,ResNum=41) 0 -10.220560 6.365072 9.488096 L N-NB--0.572700(PDBName=NE2,ResName=HID,ResNum=41) 0 -10.567299 6.158231 7.366790 L C-CV-0.129200(PDBName=CD2,ResName=HID,ResNum=41) 0 -9.745938 5.637976 6.358792 L H-H4-0.114700(PDBName=HD2,ResName=HID,ResNum=41) 0 -9.987800 5.567203 5.307250 L C-C-0.597300(PDBName=C,ResName=HID,ResNum=41) 0 -4.988314 4.984476 5.430564 L O-O--0.567900(PDBName=O,ResName=HID,ResNum=41) 0 -5.129848 4.350429 4.381950 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=42) 0 -3.786210 5.191204 5.981905 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=42) 0 -3.762188 5.662527 6.883228 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=42) 0 -2.506800 4.999242 5.269302 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=42) 0 -2.589371 5.481936 4.294839 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=42) 0 -1.370964 5.701757 6.036716 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=42) 0 -1.546962 5.639738 7.111854 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=42) 0 -0.427696 5.190415 5.832994 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=42) 0 -1.185883 7.170744 5.617687 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=42) 0 -0.376661 7.589573 6.217652 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=42) 0 -0.873115 7.190702 4.573127 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=42) 0 -2.426033 8.067181 5.765565 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=42) 0 -3.209361 7.740829 5.079848 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=42) 0 -2.790895 8.025955 6.792252 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=42) 0 -2.025269 9.501969 5.423433 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=42) 0 -1.234316 9.814871 6.111035 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=42) 0 -1.609746 9.524469 4.413372 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=42) 0 -3.160865 10.444128 5.519297 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=42) 0 -3.585749 10.418105 6.441187 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=42) 0 -2.846635 11.400859 5.398344 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=42) 0 -3.868952 10.290470 4.808763 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=42) 0 -2.156858 3.546982 4.922863 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=42) 0 -1.291085 3.346690 4.074974 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=43) 0 -2.865111 2.567660 5.490285 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=43) 0 -3.570997 2.835137 6.157580 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=43) 0 -2.820051 1.153403 5.101351 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=43) 0 -2.317993 1.056154 4.136984 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=43) 0 -2.045531 0.332085 6.145674 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=43) 0 -2.657500 0.249862 7.041206 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=43) 0 -1.897746 -0.669940 5.750621 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=43) 0 -0.707215 0.919351 6.541672 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=43) 0 0.241118 1.209693 5.546295 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=43) 0 0.052866 0.940532 4.516548 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=43) 0 1.371587 1.977003 5.864572 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=43) 0 2.048750 2.273929 5.082679 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=43) 0 1.585777 2.414510 7.187491 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=43) 0 2.624575 3.240015 7.463686 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=43) 0 2.998921 3.565306 6.621145 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=43) 0 0.691277 2.029937 8.205468 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=43) 0 0.859213 2.357450 9.222600 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=43) 0 -0.463039 1.295526 7.878102 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=43) 0 -1.184154 1.077479 8.654644 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=43) 0 -4.245160 0.613602 4.960340 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=43) 0 -5.047148 0.753942 5.888971 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=44) 0 -4.564792 -0.009814 3.823191 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=44) 0 -3.871537 -0.081572 3.080816 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=44) 0 -5.927006 -0.455470 3.522981 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=44) 0 -6.438269 -0.620478 4.468521 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=44) 0 -6.664106 0.664658 2.749943 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=44) 0 -5.965317 1.472852 2.525868 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=44) 0 -7.036807 0.288671 1.795513 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=44) 0 -7.834137 1.235739 3.566646 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=44) 0 -7.501075 1.406734 4.588650 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=44) 0 -8.313079 2.570802 3.002059 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=44) 0 -7.466587 3.251816 2.915335 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=44) 0 -8.779596 2.428095 2.028183 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=44) 0 -9.027344 3.022794 3.683131 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=44) 0 -9.021232 0.268802 3.567943 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=44) 0 -8.716051 -0.709557 3.927827 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=44) 0 -9.805815 0.647688 4.218755 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=44) 0 -9.403496 0.156648 2.554309 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=44) 0 -5.960312 -1.790350 2.773548 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=44) 0 -5.290756 -1.948440 1.755753 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=45) 0 -6.781853 -2.731457 3.248004 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=45) 0 -7.271538 -2.541546 4.116375 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=45) 0 -7.115957 -3.964266 2.526022 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=45) 0 -6.455794 -4.047248 1.665374 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=45) 0 -6.886053 -5.186973 3.434575 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=45) 0 -6.075166 -4.983361 4.132403 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=45) 0 -7.790858 -5.347806 4.014880 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=45) 0 -6.560970 -6.476152 2.659039 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=45) 0 -7.218262 -6.559925 1.795824 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=45) 0 -5.114033 -6.480581 2.178653 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=45) 0 -4.426874 -6.453704 3.022257 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=45) 0 -4.928977 -7.381900 1.603360 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=45) 0 -4.941868 -5.622838 1.540934 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=45) 0 -6.742372 -7.705882 3.543616 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=45) 0 -6.594869 -8.607115 2.949891 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=45) 0 -6.018704 -7.689176 4.357526 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=45) 0 -7.754596 -7.724987 3.946313 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=45) 0 -8.556904 -3.891911 2.000437 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=45) 0 -9.477489 -3.567088 2.746004 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=46) 0 -8.790475 -4.230322 0.735799 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=46) 0 -7.999206 -4.549384 0.186677 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=46) 0 -10.028185 -3.927907 0.001000 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=46) 0 -10.749322 -3.482606 0.683663 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=46) 0 -9.762653 -2.891584 -1.110520 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=46) 0 -9.183235 -3.357537 -1.908099 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=46) 0 -11.088053 -2.380674 -1.690022 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=46) 0 -11.678093 -1.888385 -0.918010 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=46) 0 -10.890626 -1.678877 -2.498989 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=46) 0 -11.664605 -3.209406 -2.103387 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=46) 0 -8.967238 -1.676387 -0.606207 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=46) 0 -7.991521 -1.984817 -0.232471 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=46) 0 -8.793247 -0.989843 -1.430633 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=46) 0 -9.507214 -1.164908 0.187871 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=46) 0 -10.648905 -5.197441 -0.583930 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=46) 0 -10.053017 -5.846793 -1.437019 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=47) 0 -11.850867 -5.519752 -0.120861 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=47) 0 -12.253138 -4.909512 0.582103 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=47) 0 -12.755844 -6.568913 -0.591007 L H-HC 1 0.0000 H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=47) 0 -12.188285 -7.433097 -0.933479 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=47) 0 -13.609000 -6.036197 -1.756061 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=47) 0 -14.237643 -4.987743 -1.636254 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=48) 0 -13.670359 -6.760895 -2.871632 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=48) 0 -13.074271 -7.579977 -2.935205 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=48) 0 -14.556182 -6.487363 -4.009147 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=48) 0 -15.210238 -5.648786 -3.777987 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=48) 0 -13.737255 -6.131078 -5.258774 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=48) 0 -13.238581 -7.028894 -5.607563 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=48) 0 -14.433007 -5.836982 -6.045228 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=48) 0 -12.678880 -5.050356 -5.108543 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=48) 0 -12.933967 -3.747938 -5.567400 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=48) 0 -13.905718 -3.510169 -5.964347 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=48) 0 -11.931801 -2.762339 -5.525008 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=48) 0 -12.134445 -1.767065 -5.895412 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=48) 0 -10.663322 -3.076656 -5.008947 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=48) 0 -9.889548 -2.321593 -4.974939 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=48) 0 -10.410223 -4.371789 -4.524549 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=48) 0 -9.448455 -4.616314 -4.104333 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=48) 0 -11.412008 -5.355517 -4.576913 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=48) 0 -11.204711 -6.345788 -4.201729 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=48) 0 -15.415122 -7.733521 -4.251711 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=48) 0 -14.864542 -8.810733 -4.490697 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=49) 0 -16.741171 -7.634501 -4.120644 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=49) 0 -17.160636 -6.717373 -3.994323 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=49) 0 -17.581826 -8.813585 -3.857617 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=49) 0 -17.100205 -9.691825 -4.289575 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=49) 0 -17.660140 -9.033712 -2.337067 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=49) 0 -17.998906 -10.053129 -2.174420 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=49) 0 -16.657316 -8.963519 -1.914008 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=49) 0 -18.583168 -8.096604 -1.571275 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=49) 0 -19.790016 -8.587205 -1.031816 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=49) 0 -20.068444 -9.621949 -1.172646 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=49) 0 -20.649072 -7.726144 -0.321368 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=49) 0 -21.575435 -8.094654 0.084741 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=49) 0 -20.322980 -6.361202 -0.174372 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=49) 0 -21.157497 -5.529849 0.506067 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=49) 0 -20.911496 -4.597841 0.348729 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=49) 0 -19.126730 -5.865111 -0.732831 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=49) 0 -18.886876 -4.816800 -0.643978 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=49) 0 -18.249273 -6.736991 -1.405826 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=49) 0 -17.328154 -6.349354 -1.816195 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=49) 0 -18.988262 -8.745995 -4.467906 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=49) 0 -19.508071 -7.660636 -4.727232 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=50) 0 -19.610221 -9.916966 -4.651871 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=50) 0 -19.126627 -10.769222 -4.387691 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=50) 0 -20.993705 -10.059285 -5.109948 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=50) 0 -21.359108 -9.079531 -5.419349 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=50) 0 -21.016042 -10.963969 -6.348451 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=50) 0 -20.417847 -10.518518 -7.145068 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=50) 0 -20.601410 -11.942205 -6.109007 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=50) 0 -22.038559 -11.086211 -6.708248 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=50) 0 -21.896274 -10.584062 -3.968116 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=50) 0 -21.522840 -11.542509 -3.276535 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=51) 0 -23.100878 -10.017118 -3.758129 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=51) 0 -23.801233 -9.127496 -4.675224 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=51) 0 -23.695545 -9.446826 -5.713159 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=51) 0 -23.431979 -8.107312 -4.554047 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=51) 0 -25.264389 -9.205022 -4.253101 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=51) 0 -25.726826 -10.095047 -4.679352 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=51) 0 -25.823438 -8.317243 -4.540361 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=51) 0 -25.148891 -9.352949 -2.735968 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=51) 0 -26.047881 -9.801564 -2.312655 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=51) 0 -24.970483 -8.372783 -2.290083 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=51) 0 -23.906335 -10.236224 -2.546019 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=51) 0 -23.356586 -9.893662 -1.668930 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=51) 0 -24.293862 -11.706474 -2.327201 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=51) 0 -24.339596 -12.204406 -1.200894 L N-N--0.415700(PDBName=N,ResName=TRP,ResNum=52) 0 -24.526794 -12.447393 -3.407968 L H-H-0.271900(PDBName=H,ResName=TRP,ResNum=52) 0 -24.528036 -11.984852 -4.309434 L C-CT--0.005000(PDBName=CB,ResName=TRP,ResNum=52) 0 -25.980313 -14.036232 -4.511938 L H-HC-0.033900(PDBName=HB2,ResName=TRP,ResNum=52) 0 -26.225859 -15.094615 -4.612681 L H-HC-0.033900(PDBName=HB3,ResName=TRP,ResNum=52) 0 -26.901710 -13.515752 -4.244274 L C-C*--0.141500(PDBName=CG,ResName=TRP,ResNum=52) 0 -25.512580 -13.516142 -5.833182 L C-CW--0.163800(PDBName=CD1,ResName=TRP,ResNum=52) 0 -25.958500 -12.401682 -6.457911 L H-H4-0.206200(PDBName=HD1,ResName=TRP,ResNum=52) 0 -26.771488 -11.767719 -6.119402 L N-NA--0.341800(PDBName=NE1,ResName=TRP,ResNum=52) 0 -25.228368 -12.195993 -7.611113 L H-H-0.341200(PDBName=HE1,ResName=TRP,ResNum=52) 0 -25.439433 -11.464317 -8.287979 L C-CN-0.138000(PDBName=CE2,ResName=TRP,ResNum=52) 0 -24.300780 -13.192550 -7.806252 L C-CA--0.260100(PDBName=CZ2,ResName=TRP,ResNum=52) 0 -23.377773 -13.455667 -8.822493 L H-HA-0.157200(PDBName=HZ2,ResName=TRP,ResNum=52) 0 -23.292982 -12.800750 -9.679241 L C-CA--0.113400(PDBName=CH2,ResName=TRP,ResNum=52) 0 -22.638781 -14.643972 -8.767522 L H-HA-0.141700(PDBName=HH2,ResName=TRP,ResNum=52) 0 -21.988348 -14.904375 -9.584690 L C-CA--0.197200(PDBName=CZ3,ResName=TRP,ResNum=52) 0 -22.754203 -15.504303 -7.666157 L H-HA-0.144700(PDBName=HZ3,ResName=TRP,ResNum=52) 0 -22.150489 -16.396485 -7.618243 L C-CA--0.238700(PDBName=CE3,ResName=TRP,ResNum=52) 0 -23.687456 -15.235488 -6.655836 L H-HA-0.170000(PDBName=HE3,ResName=TRP,ResNum=52) 0 -23.842601 -15.964309 -5.881381 L C-CB-0.124300(PDBName=CD2,ResName=TRP,ResNum=52) 0 -24.481975 -14.071362 -6.699001 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=57) 0 -20.168318 -14.703370 2.172734 L H-H 153 0.0000 H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=57) 0 -20.386505 -13.711046 2.568573 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=57) 0 -21.486727 -15.460357 1.974338 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=57) 0 -21.255183 -16.421306 1.516053 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=57) 0 -21.918855 -15.664214 2.954073 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=57) 0 -22.565082 -14.743590 1.141097 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=57) 0 -22.994799 -13.920642 1.713882 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=57) 0 -22.154253 -14.355730 0.211435 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=57) 0 -23.636169 -15.795830 0.838482 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=57) 0 -23.160587 -16.626027 0.316432 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=57) 0 -24.033114 -16.157406 1.788086 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=57) 0 -24.810532 -15.326876 -0.013559 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=57) 0 -25.453074 -14.677716 0.590274 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=57) 0 -24.438411 -14.741595 -0.855385 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=57) 0 -25.582028 -16.499797 -0.499394 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=57) 0 -25.107016 -16.988778 -1.256776 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=57) 0 -25.694906 -17.189647 0.240825 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=57) 0 -26.500751 -16.211384 -0.831512 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=57) 0 -19.309633 -15.431605 3.229710 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=57) 0 -19.660546 -15.395688 4.417213 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=58) 0 -18.199957 -16.076242 2.837655 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=58) 0 -17.995351 -16.150630 1.846509 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=58) 0 -17.185132 -16.572830 3.767555 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=58) 0 -17.676253 -16.999574 4.640816 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=58) 0 -16.388492 -17.704597 3.105347 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=58) 0 -17.067917 -18.474383 2.738153 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=58) 0 -15.792440 -17.325721 2.276912 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=58) 0 -15.717285 -18.153024 3.839880 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=58) 0 -16.283407 -15.422212 4.249365 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=58) 0 -16.036998 -15.302749 5.447925 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=59) 0 -15.872350 -14.534788 3.332406 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=59) 0 -16.098474 -14.718444 2.361326 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=59) 0 -15.005635 -13.389603 3.633946 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=59) 0 -14.180016 -13.742767 4.255829 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=59) 0 -14.436153 -12.847532 2.309521 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=59) 0 -15.267208 -12.478677 1.712130 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=59) 0 -13.977829 -13.661245 1.752778 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=59) 0 -13.405817 -11.710224 2.473158 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=59) 0 -13.830748 -10.904573 3.069957 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=59) 0 -12.107470 -12.195125 3.116394 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=59) 0 -11.690376 -13.016815 2.541347 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=59) 0 -12.289673 -12.517752 4.142371 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=59) 0 -11.376726 -11.388279 3.138008 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=59) 0 -13.049457 -11.141720 1.104772 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=59) 0 -12.541999 -11.896288 0.507000 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=59) 0 -13.956475 -10.826547 0.595308 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=59) 0 -12.398951 -10.275381 1.229800 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=59) 0 -15.710832 -12.266209 4.412781 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=59) 0 -15.126429 -11.719984 5.340188 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=60) 0 -16.941054 -11.886913 4.050293 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=60) 0 -17.366712 -12.346241 3.255913 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=60) 0 -17.533734 -10.625487 4.519751 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=60) 0 -16.866758 -9.828664 4.186069 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=60) 0 -18.874127 -10.389542 3.807402 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=60) 0 -19.269916 -9.416052 4.101541 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=60) 0 -18.720843 -10.383516 2.727891 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=60) 0 -19.600221 -11.158427 4.061570 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=60) 0 -17.626429 -10.463366 6.062109 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=60) 0 -17.242172 -9.391848 6.546901 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=61) 0 -18.035579 -11.483169 6.854438 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=61) 0 -18.650944 -12.738832 6.450562 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=61) 0 -17.888678 -13.518225 6.402960 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=61) 0 -19.172312 -12.669008 5.499452 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=61) 0 -19.645173 -13.055017 7.561470 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=61) 0 -19.882333 -14.118116 7.605129 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=61) 0 -20.549396 -12.458567 7.428564 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=61) 0 -18.894786 -12.587094 8.806447 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=61) 0 -18.241071 -13.391096 9.150972 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=61) 0 -19.582783 -12.295931 9.601406 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=61) 0 -18.060079 -11.391732 8.322574 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=61) 0 -18.563719 -10.468129 8.612110 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=61) 0 -16.661867 -11.421606 8.961261 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=61) 0 -16.470056 -10.924873 10.072726 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=62) 0 -15.675974 -11.979464 8.255216 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=62) 0 -15.884431 -12.341357 7.334621 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=62) 0 -14.272246 -12.020610 8.675313 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=62) 0 -14.231055 -12.147337 9.753284 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=62) 0 -13.567001 -13.213452 8.017254 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=62) 0 -13.752214 -13.210915 6.943821 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=62) 0 -12.492791 -13.117590 8.172872 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=62) 0 -14.046821 -14.546662 8.608952 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=62) 0 -15.123426 -14.644129 8.453288 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=62) 0 -13.561028 -15.363555 8.072140 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=62) 0 -13.728466 -14.665998 10.105145 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=62) 0 -14.364678 -15.485789 10.805899 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=62) 0 -12.825537 -13.962146 10.603719 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=62) 0 -13.546013 -10.710238 8.374749 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=62) 0 -12.763883 -10.236174 9.193467 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=63) 0 -13.908475 -10.042188 7.279466 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=63) 0 -14.505923 -10.518360 6.612687 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=63) 0 -13.574834 -8.640116 7.039581 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=63) 0 -12.488476 -8.539519 7.050919 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=63) 0 -14.104031 -8.221931 5.657827 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=63) 0 -14.661385 -9.035733 5.192719 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=63) 0 -14.795107 -7.385006 5.767214 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=63) 0 -12.985875 -7.824830 4.726497 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=63) 0 -12.034401 -8.783029 4.331670 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=63) 0 -12.134091 -9.803425 4.672848 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=63) 0 -10.945307 -8.404427 3.525213 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=63) 0 -10.199073 -9.123810 3.222766 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=63) 0 -10.817328 -7.060526 3.124927 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=63) 0 -9.783535 -6.670124 2.351969 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=63) 0 -9.849743 -5.732907 2.152994 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=63) 0 -11.767760 -6.104103 3.521078 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=63) 0 -11.653583 -5.079787 3.215925 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=63) 0 -12.859636 -6.489158 4.313016 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=63) 0 -13.598518 -5.760554 4.606346 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=63) 0 -14.117482 -7.734444 8.152875 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=63) 0 -13.409585 -6.846794 8.627518 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=64) 0 -15.332685 -8.008121 8.639332 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=64) 0 -15.888780 -8.715994 8.177613 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=64) 0 -15.889470 -7.333650 9.807237 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=64) 0 -15.773744 -6.257883 9.664698 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=64) 0 -17.393518 -7.619800 9.866657 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=64) 0 -17.587021 -8.688151 9.894796 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=64) 0 -17.819463 -7.168236 10.760085 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=64) 0 -17.882381 -7.196622 8.988502 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=64) 0 -15.134548 -7.683471 11.109979 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=64) 0 -14.813508 -6.764208 11.868312 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=65) 0 -14.758640 -8.952510 11.356729 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=65) 0 -15.074854 -9.679265 10.722355 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=65) 0 -13.907505 -9.329971 12.509812 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=65) 0 -14.382935 -8.988203 13.431122 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=65) 0 -13.687100 -10.854069 12.603163 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=65) 0 -13.674102 -11.279893 11.603097 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=65) 0 -12.709768 -11.015503 13.056868 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=65) 0 -14.677887 -11.629687 13.481277 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=65) 0 -14.534765 -11.333392 14.521381 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=65) 0 -15.693970 -11.376967 13.185712 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=65) 0 -14.512084 -13.157903 13.361044 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=65) 0 -15.160187 -13.635668 14.096172 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=65) 0 -14.870869 -13.444311 12.372514 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=65) 0 -13.074600 -13.690566 13.537513 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=65) 0 -12.423724 -13.158538 12.838684 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=65) 0 -12.729072 -13.503148 14.557217 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=65) 0 -12.998641 -15.137805 13.217652 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=65) 0 -13.392993 -15.287009 12.284472 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=65) 0 -12.047849 -15.487014 13.171694 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=65) 0 -13.520610 -15.693468 13.886770 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=65) 0 -12.546297 -8.633165 12.446218 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=65) 0 -12.087001 -8.142631 13.472255 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=66) 0 -11.927525 -8.545689 11.267205 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=66) 0 -12.341728 -9.034234 10.480375 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=66) 0 -10.652763 -7.864614 11.046473 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=66) 0 -9.921200 -8.245993 11.759678 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=66) 0 -10.152557 -8.192847 9.635712 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=66) 0 -9.194659 -7.700451 9.465745 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=66) 0 -10.019406 -9.267275 9.528616 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=66) 0 -10.870170 -7.852310 8.889484 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=66) 0 -10.762709 -6.347267 11.258592 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=66) 0 -9.898866 -5.760887 11.907469 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=67) 0 -11.836378 -5.713275 10.774996 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=67) 0 -12.483418 -6.228652 10.186191 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=67) 0 -12.089383 -4.290196 10.993386 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=67) 0 -11.211129 -3.727877 10.688703 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=67) 0 -13.271391 -3.854435 10.125862 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=67) 0 -13.432571 -2.785045 10.249914 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=67) 0 -13.053470 -4.059649 9.081121 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=67) 0 -14.176734 -4.389434 10.414500 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=67) 0 -12.323620 -3.958485 12.470331 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=67) 0 -11.743564 -2.994452 12.975074 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=68) 0 -13.110966 -4.785806 13.165378 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=68) 0 -13.550217 -5.552013 12.666958 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=68) 0 -13.345036 -4.679127 14.604630 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=68) 0 -13.741082 -3.690480 14.837994 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=68) 0 -14.077080 -5.429673 14.903620 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=68) 0 -12.063974 -4.902911 15.408469 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=68) 0 -11.750136 -4.083359 16.269750 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=69) 0 -11.289707 -5.942382 15.057614 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=69) 0 -11.648839 -6.571778 14.347392 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=69) 0 -9.971715 -6.263912 15.625117 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=69) 0 -10.080686 -6.431737 16.698691 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=69) 0 -9.410546 -7.550285 14.990835 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=69) 0 -9.992703 -8.393342 15.354787 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=69) 0 -9.522485 -7.501445 13.908899 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=69) 0 -7.922618 -7.793489 15.296950 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=69) 0 -7.320685 -7.094703 14.714689 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=69) 0 -7.731214 -7.611592 16.355631 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=69) 0 -7.494540 -9.218346 14.920432 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=69) 0 -8.159702 -9.620538 14.154532 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=69) 0 -6.485487 -9.196316 14.507488 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=69) 0 -7.513830 -10.132541 16.146215 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=69) 0 -8.379907 -9.889857 16.767986 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=69) 0 -7.610523 -11.166802 15.805430 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=69) 0 -6.258841 -9.999869 16.920262 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=69) 0 -5.491900 -10.348901 16.352379 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=69) 0 -6.023372 -9.024853 17.122120 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=69) 0 -6.283865 -10.548917 17.774031 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=69) 0 -9.000226 -5.107891 15.480929 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=69) 0 -8.575897 -4.570211 16.490522 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=70) 0 -8.669500 -4.685211 14.260763 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=70) 0 -9.074704 -5.149071 13.455389 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=70) 0 -7.659636 -3.644319 14.054305 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=70) 0 -6.753602 -3.950047 14.574873 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=70) 0 -7.346440 -3.516060 12.551186 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=70) 0 -8.277798 -3.555310 11.984160 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=70) 0 -6.890274 -2.545419 12.360268 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=70) 0 -6.380812 -4.607741 12.046011 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=70) 0 -6.739561 -5.588048 12.358478 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=70) 0 -6.304446 -4.580657 10.519489 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=70) 0 -6.206303 -3.555634 10.167211 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=70) 0 -5.459630 -5.169157 10.165037 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=70) 0 -7.212225 -5.016626 10.117598 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=70) 0 -4.958764 -4.410035 12.573353 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=70) 0 -4.607517 -3.414887 12.313567 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=70) 0 -4.933328 -4.523103 13.655009 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=70) 0 -4.292237 -5.156809 12.146037 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=70) 0 -8.075326 -2.317139 14.705840 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=70) 0 -7.232557 -1.631467 15.282838 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=71) 0 -9.375763 -1.999368 14.733179 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=71) 0 -10.031387 -2.606842 14.256063 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=71) 0 -9.887740 -0.809996 15.424203 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=71) 0 -9.246219 0.029640 15.151057 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=71) 0 -11.293283 -0.514098 14.888665 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=71) 0 -11.220624 -0.444104 13.802469 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=71) 0 -11.959695 -1.342992 15.133509 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=71) 0 -11.907490 0.792481 15.407809 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=71) 0 -12.266016 0.640144 16.424316 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=71) 0 -11.157545 1.581179 15.406920 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=71) 0 -13.070519 1.199851 14.491951 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=71) 0 -12.675210 1.653179 13.581087 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=71) 0 -13.613194 0.298570 14.210182 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=71) 0 -14.083035 2.145138 15.141612 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=71) 0 -14.887914 2.328946 14.426940 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=71) 0 -14.528877 1.645173 16.006582 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=71) 0 -13.512007 3.442753 15.566500 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=71) 0 -13.040753 3.940365 14.817440 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=71) 0 -14.279238 4.021784 15.907792 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=71) 0 -12.891726 3.310994 16.360552 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=71) 0 -9.796684 -0.936966 16.950894 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=71) 0 -9.449157 0.051412 17.596535 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=72) 0 -10.001753 -2.125177 17.522661 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=72) 0 -10.301722 -2.894825 16.935510 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=72) 0 -9.810839 -2.408174 18.949620 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=72) 0 -10.255400 -1.597798 19.528041 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=72) 0 -10.572272 -3.693432 19.289834 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=72) 0 -10.142514 -4.540960 18.753804 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=72) 0 -10.512428 -3.882983 20.360663 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=72) 0 -11.621821 -3.589363 19.014728 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=72) 0 -8.321574 -2.492220 19.350340 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=72) 0 -7.934648 -1.980617 20.402061 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=73) 0 -7.455913 -3.011964 18.477405 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=73) 0 -7.847284 -3.482323 17.666947 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=73) 0 -5.985995 -2.973780 18.572513 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=73) 0 -5.691414 -3.340262 19.553751 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=73) 0 -5.362756 -3.916003 17.518728 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=73) 0 -5.747433 -3.647796 16.536035 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=73) 0 -4.283673 -3.760223 17.508996 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=73) 0 -5.617157 -5.415027 17.784509 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=73) 0 -5.225158 -5.660726 18.771148 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=73) 0 -6.688223 -5.610928 17.806930 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=73) 0 -4.960318 -6.347604 16.749058 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=73) 0 -4.372287 -5.863210 15.755645 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=73) 0 -5.006749 -7.589927 16.936479 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=73) 0 -5.411187 -1.542112 18.439709 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=73) 0 -4.195499 -1.344397 18.527672 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=74) 0 -6.267171 -0.530697 18.241330 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=74) 0 -7.247981 -0.760268 18.170403 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=74) 0 -5.890838 0.880329 18.121537 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=74) 0 -6.783029 1.493253 18.246002 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=74) 0 -5.186583 1.131439 18.915105 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=74) 0 -5.247108 1.238958 16.779135 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=74) 0 -4.707955 2.336424 16.634927 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=75) 0 -5.294867 0.338954 15.798161 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=75) 0 -5.847590 -0.498732 15.948049 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=75) 0 -4.544478 0.420897 14.547921 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=75) 0 -3.514017 0.682094 14.789136 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=75) 0 -4.533833 -0.942618 13.861385 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=75) 0 -4.264159 -1.723631 14.573807 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=75) 0 -5.524180 -1.151841 13.460616 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=75) 0 -3.604170 -0.923068 12.803676 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=75) 0 -2.776487 -1.334803 13.137988 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=75) 0 -5.087628 1.456352 13.567280 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=75) 0 -6.299181 1.597719 13.368829 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=76) 0 -4.166479 2.127136 12.885263 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=76) 0 -3.193081 1.967695 13.140104 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=76) 0 -4.405489 2.972590 11.717643 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=76) 0 -5.270393 3.601843 11.931321 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=76) 0 -3.192798 3.905798 11.521325 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=76) 0 -3.494929 4.694798 10.834365 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=76) 0 -2.959727 4.390224 12.470823 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=76) 0 -1.907546 3.269209 10.950684 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=76) 0 -2.131876 2.870566 9.959429 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=76) 0 -1.172317 4.064857 10.814279 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=76) 0 -1.274749 2.167116 11.819263 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=76) 0 -1.393640 2.221563 13.068107 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=76) 0 -0.684379 1.231230 11.239013 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=76) 0 -4.737152 2.177039 10.437604 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=76) 0 -5.264735 2.757759 9.486002 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=77) 0 -4.465305 0.865294 10.411608 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=77) 0 -4.056093 0.447989 11.243095 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=77) 0 -4.786032 -0.038146 9.295727 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=77) 0 -4.446423 0.421714 8.369640 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=77) 0 -4.097594 -1.414605 9.469294 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=77) 0 -4.581661 -1.911171 10.310528 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=77) 0 -4.314377 -2.274503 8.208117 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=77) 0 -5.374362 -2.477281 8.054636 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=77) 0 -3.920443 -1.766683 7.328617 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=77) 0 -3.808752 -3.229705 8.320390 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=77) 0 -2.587308 -1.349491 9.788337 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=77) 0 -2.022845 -1.125281 8.886207 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=77) 0 -2.388479 -0.558096 10.504954 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=77) 0 -2.069684 -2.653224 10.413518 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=77) 0 -2.046341 -3.455337 9.678205 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=77) 0 -1.067547 -2.492996 10.803670 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=77) 0 -2.699903 -2.953112 11.246131 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=77) 0 -6.302536 -0.247548 9.223935 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=77) 0 -6.920040 -0.568436 10.242860 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=78) 0 -6.905986 -0.125510 8.033569 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=78) 0 -6.325586 0.122661 7.235124 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=78) 0 -8.350418 -0.342433 7.809887 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=78) 0 -8.791645 -0.727313 8.730714 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=78) 0 -9.049737 0.991184 7.468146 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=78) 0 -8.638351 1.378015 6.537408 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=78) 0 -10.111832 0.805761 7.303781 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=78) 0 -8.922193 2.090599 8.536116 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=78) 0 -7.878142 2.393225 8.612896 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=78) 0 -9.500678 2.951262 8.206093 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=78) 0 -9.409740 1.683841 9.931154 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=78) 0 -8.886241 0.787625 10.237143 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=78) 0 -9.139943 2.457359 10.646402 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=78) 0 -10.858425 1.419511 9.980630 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=78) 0 -11.127718 0.445373 10.070324 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=78) 0 -11.811983 2.317875 10.118883 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=78) 0 -11.546703 3.573576 10.306494 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=78) 0 -10.591673 3.864826 10.504072 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=78) 0 -12.294446 4.209345 10.521092 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=78) 0 -13.063746 1.970458 10.074707 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=78) 0 -13.312067 1.024533 9.805649 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=78) 0 -13.789978 2.685901 10.075748 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=78) 0 -8.647981 -1.421897 6.766472 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=78) 0 -7.778286 -1.869589 6.020388 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=79) 0 -9.915454 -1.825077 6.727179 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=79) 0 -10.560570 -1.383072 7.363333 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=79) 0 -10.490477 -2.802701 5.804493 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=79) 0 -9.742260 -3.125527 5.083701 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=79) 0 -11.021194 -4.027606 6.577273 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=79) 0 -11.805529 -3.688889 7.252482 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=79) 0 -11.501848 -4.685791 5.857957 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=79) 0 -10.041151 -4.893126 7.388859 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=79) 0 -10.615951 -5.730881 7.781919 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=79) 0 -8.911771 -5.458345 6.535379 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=79) 0 -9.329243 -6.061719 5.728957 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=79) 0 -8.313837 -4.646509 6.123568 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=79) 0 -8.268409 -6.081193 7.153984 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=79) 0 -9.420767 -4.168419 8.582162 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=79) 0 -8.476835 -3.698114 8.309071 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=79) 0 -10.098973 -3.405988 8.954911 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=79) 0 -9.239045 -4.892528 9.371018 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=79) 0 -11.652848 -2.130514 5.067771 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=79) 0 -12.443464 -1.451977 5.715258 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=80) 0 -11.796313 -2.325718 3.759293 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=80) 0 -11.095143 -2.885828 3.286601 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=80) 0 -12.851843 -1.730653 2.933085 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=80) 0 -13.577265 -1.237949 3.574649 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=80) 0 -12.216816 -0.673802 2.029226 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=80) 0 -11.786317 0.121554 2.634847 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=80) 0 -11.436509 -1.129869 1.422731 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=80) 0 -12.977438 -0.256236 1.371936 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=80) 0 -13.612870 -2.772456 2.099453 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=80) 0 -13.027171 -3.775757 1.711267 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=81) 0 -14.886208 -2.517027 1.775522 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=81) 0 -15.273556 -1.634449 2.093427 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=81) 0 -15.743919 -3.358473 0.929182 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=81) 0 -15.110600 -4.126113 0.484158 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=81) 0 -16.791560 -4.110185 1.775601 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=81) 0 -17.284852 -4.843749 1.138917 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=81) 0 -16.266191 -4.659313 2.553686 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=81) 0 -17.863463 -3.230222 2.441996 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=81) 0 -17.384830 -2.513203 3.109277 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=81) 0 -18.402747 -2.679378 1.672936 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=81) 0 -16.349583 -2.570668 -0.237749 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=81) 0 -16.893566 -1.476387 -0.064102 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=82) 0 -16.267927 -3.152413 -1.429061 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=82) 0 -15.730369 -4.011862 -1.477438 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=82) 0 -16.691152 -2.584447 -2.712521 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=82) 0 -17.112070 -1.598044 -2.557282 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=82) 0 -15.499152 -2.391432 -3.661445 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=82) 0 -15.041639 -3.356141 -3.867832 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=82) 0 -15.972952 -1.773301 -4.984260 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=82) 0 -16.527866 -0.856067 -4.790793 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=82) 0 -15.116902 -1.558081 -5.619151 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=82) 0 -16.620976 -2.470522 -5.515104 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=82) 0 -14.444964 -1.475773 -3.025740 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=82) 0 -14.907729 -0.548682 -2.690556 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=82) 0 -13.990250 -1.977734 -2.172346 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=82) 0 -13.656640 -1.255685 -3.744460 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=82) 0 -17.752942 -3.478115 -3.338949 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=82) 0 -17.478916 -4.623393 -3.703722 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=83) 0 -18.965945 -2.947262 -3.463779 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=83) 0 -19.127985 -2.005630 -3.122766 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=83) 0 -20.095590 -3.673473 -4.037095 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=83) 0 -20.106489 -4.680565 -3.613280 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=83) 0 -21.398622 -2.983424 -3.615748 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=83) 0 -21.355735 -2.742969 -2.554056 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=83) 0 -21.527117 -2.051762 -4.169357 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=83) 0 -22.586621 -3.901507 -3.867012 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=83) 0 -22.742733 -4.340803 -5.024552 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=83) 0 -23.337305 -4.198101 -2.908848 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=83) 0 -19.961404 -3.799688 -5.567359 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=83) 0 -20.049196 -2.812013 -6.307144 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=84) 0 -19.744494 -5.021555 -6.059574 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=84) 0 -19.699000 -5.812068 -5.423067 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=84) 0 -19.508354 -5.271011 -7.478878 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=84) 0 -18.865587 -4.471421 -7.849442 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=84) 0 -18.728108 -6.580512 -7.634610 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=84) 0 -18.391175 -6.673107 -8.666729 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=84) 0 -17.856556 -6.577813 -6.978819 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=84) 0 -19.368249 -7.428892 -7.388554 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=84) 0 -20.783132 -5.236446 -8.347104 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=84) 0 -20.668834 -5.360524 -9.570169 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=85) 0 -21.975496 -5.056089 -7.766519 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=85) 0 -22.028677 -4.982685 -6.750953 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=85) 0 -23.243570 -4.914759 -8.507630 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=85) 0 -23.061172 -5.050717 -9.573407 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=85) 0 -24.265374 -5.995477 -8.108026 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=85) 0 -25.143257 -5.896209 -8.745845 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=85) 0 -23.721913 -7.418502 -8.242345 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=85) 0 -22.875538 -7.573003 -7.574205 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=85) 0 -24.508910 -8.128641 -7.988477 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=85) 0 -23.416161 -7.594510 -9.272057 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=85) 0 -24.672205 -5.847443 -6.772627 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=85) 0 -25.394120 -5.180913 -6.789779 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=85) 0 -23.846918 -3.514455 -8.361384 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=85) 0 -24.448018 -3.012833 -9.311667 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=86) 0 -23.667763 -2.834434 -7.222123 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=86) 0 -23.251650 -3.339079 -6.438107 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=86) 0 -24.238152 -1.496896 -6.974130 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=86) 0 -25.035407 -1.317822 -7.695074 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=86) 0 -24.884699 -1.402613 -5.580668 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=86) 0 -24.103077 -1.393192 -4.819667 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=86) 0 -25.412348 -0.449556 -5.523538 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=86) 0 -25.883217 -2.520266 -5.240499 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=86) 0 -25.322037 -3.375123 -4.869660 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=86) 0 -26.534367 -2.175604 -4.434660 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=86) 0 -26.733612 -2.965699 -6.433281 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=86) 0 -27.428806 -2.127274 -7.055608 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=86) 0 -26.672731 -4.156098 -6.817064 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=86) 0 -23.252909 -0.341002 -7.184731 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=86) 0 -23.662063 0.702902 -7.695178 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=87) 0 -21.965932 -0.499308 -6.855016 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=87) 0 -21.669554 -1.380108 -6.447407 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=87) 0 -20.933173 0.485136 -7.220176 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=87) 0 -21.389518 1.468612 -7.338206 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=87) 0 -19.843531 0.599786 -6.137861 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=87) 0 -19.437784 -0.383548 -5.907915 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=87) 0 -19.024636 1.206860 -6.527964 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=87) 0 -20.350424 1.245117 -4.843582 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=87) 0 -21.135614 0.621843 -4.410244 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=87) 0 -19.526999 1.288793 -4.129695 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=87) 0 -20.875738 2.660905 -5.094656 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=87) 0 -22.066582 2.923214 -4.813645 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=87) 0 -20.109468 3.519228 -5.591492 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=87) 0 -20.318639 0.153318 -8.579036 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=87) 0 -20.256560 1.029736 -9.443325 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=88) 0 -19.924898 -1.112924 -8.777374 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=88) 0 -20.041667 -1.741077 -7.985922 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=88) 0 -19.345404 -1.695830 -10.002110 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=88) 0 -19.091828 -2.729763 -9.770220 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=88) 0 -20.411822 -1.748906 -11.103058 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=88) 0 -21.297201 -2.267785 -10.731127 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=88) 0 -20.694578 -0.735503 -11.391223 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=88) 0 -19.913822 -2.430696 -12.234534 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=88) 0 -20.526908 -2.228242 -12.977252 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=88) 0 -18.043131 -1.040918 -10.496038 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=88) 0 -16.989140 -1.676119 -10.500674 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=89) 0 -18.074659 0.244670 -10.845465 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=89) 0 -18.962156 0.719793 -10.727982 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=89) 0 -16.978382 0.982279 -11.481986 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=89) 0 -16.670946 0.439569 -12.375661 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=89) 0 -17.462712 2.377682 -11.884654 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=89) 0 -17.787659 2.915550 -10.993860 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=89) 0 -16.630471 2.925022 -12.325950 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=89) 0 -18.588286 2.338914 -12.904719 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=89) 0 -18.463895 1.609208 -13.909253 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=89) 0 -19.580981 3.083712 -12.727179 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=89) 0 -15.742594 1.146612 -10.597398 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=89) 0 -14.642922 1.342385 -11.114575 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=90) 0 -15.900676 1.051716 -9.274546 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=90) 0 -16.836555 0.924769 -8.920524 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=90) 0 -14.772812 0.998775 -8.347277 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=90) 0 -14.047094 1.747352 -8.656572 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=90) 0 -15.264117 1.361844 -6.934306 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=90) 0 -15.676465 2.370724 -6.954245 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=90) 0 -16.059216 0.674870 -6.644703 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=90) 0 -14.144765 1.303457 -5.879320 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=90) 0 -13.767050 0.285349 -5.808102 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=90) 0 -12.984228 2.226926 -6.225339 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=90) 0 -13.323912 3.260083 -6.303388 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=90) 0 -12.232074 2.134220 -5.449973 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=90) 0 -12.519423 1.932019 -7.163433 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=90) 0 -14.661445 1.707058 -4.502117 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=90) 0 -13.907536 1.472869 -3.753234 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=90) 0 -14.859106 2.773277 -4.476618 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=90) 0 -15.577300 1.168758 -4.268780 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=90) 0 -14.053587 -0.358798 -8.403360 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=90) 0 -12.829760 -0.415195 -8.332286 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=91) 0 -14.794757 -1.451620 -8.588413 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=91) 0 -15.782635 -1.345083 -8.771277 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=91) 0 -14.216863 -2.782813 -8.729952 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=91) 0 -13.440202 -2.906693 -7.978749 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=91) 0 -15.326869 -3.811246 -8.469810 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=91) 0 -14.883384 -4.786218 -8.291859 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=91) 0 -15.896456 -3.536760 -7.582088 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=91) 0 -16.002202 -3.871076 -9.324355 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=91) 0 -13.522006 -2.935280 -10.092039 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=91) 0 -12.355648 -3.323232 -10.158537 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=92) 0 -14.180291 -2.491064 -11.166626 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=92) 0 -15.138947 -2.180017 -11.042799 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=92) 0 -13.618073 -2.488542 -12.522290 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=92) 0 -13.170059 -3.467009 -12.694347 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=92) 0 -14.750419 -2.299938 -13.551090 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=92) 0 -15.226072 -1.334591 -13.377624 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=92) 0 -14.318699 -2.288057 -14.552898 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=92) 0 -15.832092 -3.398670 -13.505595 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=92) 0 -16.359824 -3.362782 -12.553033 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=92) 0 -16.561083 -3.203854 -14.292114 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=92) 0 -15.257649 -4.799919 -13.694846 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=92) 0 -14.897742 -5.486013 -12.746226 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=92) 0 -15.087766 -5.273783 -14.907847 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=92) 0 -14.638950 -6.182059 -15.007907 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=92) 0 -15.392346 -4.748818 -15.707650 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=92) 0 -12.461744 -1.483300 -12.724066 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=92) 0 -11.848753 -1.467983 -13.793247 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=93) 0 -12.107488 -0.682695 -11.708191 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=93) 0 -12.657694 -0.712985 -10.861869 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=93) 0 -10.892997 0.147131 -11.695802 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=93) 0 -10.661955 0.412257 -12.724032 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=93) 0 -11.151163 1.452548 -10.912734 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=93) 0 -12.214630 1.536744 -10.710409 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=93) 0 -10.656593 1.415299 -9.940789 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=93) 0 -10.732542 2.730543 -11.666742 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=93) 0 -10.809030 2.586071 -12.743165 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=93) 0 -11.429285 3.525743 -11.408818 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=93) 0 -9.337559 3.226067 -11.304923 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=93) 0 -9.170692 4.011302 -10.380684 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=93) 0 -8.307624 2.835259 -12.017511 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=93) 0 -7.374257 3.092525 -11.716595 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=93) 0 -8.445297 2.205760 -12.804249 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=93) 0 -9.654562 -0.595509 -11.166776 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=93) 0 -8.541208 -0.183779 -11.480860 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=94) 0 -9.818470 -1.694340 -10.416894 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=94) 0 -10.761911 -2.001963 -10.209697 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=94) 0 -8.716648 -2.377048 -9.714756 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=94) 0 -7.774806 -2.006640 -10.117760 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=94) 0 -8.737999 -1.998007 -8.223729 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=94) 0 -9.661362 -2.373289 -7.780411 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=94) 0 -7.903154 -2.485223 -7.718871 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=94) 0 -8.617542 -0.504490 -7.974571 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=94) 0 -7.495074 0.200522 -8.454949 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=94) 0 -6.707392 -0.325233 -8.975905 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=94) 0 -7.414162 1.597406 -8.307208 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=94) 0 -6.570950 2.131558 -8.711836 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=94) 0 -8.445263 2.291634 -7.643576 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=94) 0 -8.407223 3.642227 -7.512547 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=94) 0 -7.716920 4.039209 -8.058947 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=94) 0 -9.543192 1.581451 -7.127197 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=94) 0 -10.311401 2.128764 -6.613477 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=94) 0 -9.640396 0.189312 -7.301955 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=94) 0 -10.510562 -0.338001 -6.939594 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=94) 0 -8.645422 -3.895020 -9.953849 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=94) 0 -8.022168 -4.613556 -9.177147 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=95) 0 -9.241970 -4.391009 -11.041255 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=95) 0 -9.795464 -3.764996 -11.604125 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=95) 0 -9.029646 -5.756037 -11.532021 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=95) 0 -9.429022 -5.844659 -12.542792 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=95) 0 -7.959692 -5.946914 -11.573239 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=95) 0 -9.663235 -6.833773 -10.652130 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=95) 0 -9.034341 -7.367251 -9.733581 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=96) 0 -10.918260 -7.167788 -10.950355 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=96) 0 -11.359176 -6.682329 -11.727204 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=96) 0 -11.686832 -8.208223 -10.258515 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=96) 0 -11.419306 -8.185624 -9.203059 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=96) 0 -13.202142 -7.943693 -10.350325 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=96) 0 -13.509759 -7.973987 -11.392978 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=96) 0 -14.017238 -8.970326 -9.553791 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=96) 0 -15.080883 -8.749701 -9.645720 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=96) 0 -13.850905 -9.972421 -9.943148 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=96) 0 -13.735061 -8.943095 -8.501147 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=96) 0 -13.567139 -6.566611 -9.800210 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=96) 0 -14.645496 -6.426255 -9.871589 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=96) 0 -13.241616 -6.476241 -8.763677 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=96) 0 -13.088841 -5.793464 -10.397749 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=96) 0 -11.308004 -9.579001 -10.819997 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=96) 0 -11.850843 -10.036152 -11.833959 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=97) 0 -10.391324 -10.267381 -10.138699 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=97) 0 -10.024628 -9.822310 -9.303658 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=97) 0 -9.981735 -11.655019 -10.403803 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=97) 0 -9.978956 -11.809821 -11.481670 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=97) 0 -8.537055 -11.875982 -9.943005 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=97) 0 -8.260218 -12.885282 -10.239071 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=97) 0 -7.891344 -11.191390 -10.492007 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=97) 0 -8.269768 -11.682023 -8.436276 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=97) 0 -8.057093 -10.629227 -8.246538 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=97) 0 -9.140882 -11.960602 -7.845238 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=97) 0 -7.085154 -12.539673 -7.970279 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=97) 0 -6.847079 -12.283310 -6.939326 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=97) 0 -7.372078 -13.589776 -7.979159 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=97) 0 -5.892690 -12.315020 -8.802841 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=97) 0 -5.454546 -11.403716 -8.707576 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=97) 0 -5.392930 -13.105039 -9.733108 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=97) 0 -5.909798 -14.265659 -10.030158 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=97) 0 -6.753015 -14.584083 -9.570354 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=97) 0 -5.524672 -14.829983 -10.775940 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=97) 0 -4.357613 -12.706089 -10.406275 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=97) 0 -4.031338 -11.751020 -10.302597 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=97) 0 -3.997411 -13.282649 -11.158181 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=97) 0 -10.978954 -12.679345 -9.850845 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=97) 0 -10.622064 -13.590059 -9.100191 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=98) 0 -12.249544 -12.506674 -10.200722 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=98) 0 -12.461110 -11.739564 -10.823282 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=98) 0 -13.356379 -13.202207 -9.555127 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=98) 0 -14.220934 -13.217311 -10.215158 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=98) 0 -13.067693 -14.231842 -9.354426 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=98) 0 -13.764771 -12.576564 -8.222861 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=98) 0 -13.193846 -11.584976 -7.765120 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=99) 0 -14.762365 -13.178077 -7.586885 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=99) 0 -15.145580 -14.019975 -8.002288 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=99) 0 -15.358336 -12.710830 -6.346064 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=99) 0 -14.890051 -11.761792 -6.106077 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=99) 0 -16.845165 -12.385626 -6.539133 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=99) 0 -17.429455 -13.287987 -6.396866 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=99) 0 -17.144129 -11.692792 -5.753949 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=99) 0 -17.244352 -11.791429 -7.877131 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=99) 0 -17.365402 -10.398307 -8.031517 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=99) 0 -17.101783 -9.735432 -7.219636 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=99) 0 -17.868998 -9.871507 -9.235789 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=99) 0 -17.977290 -8.807607 -9.350676 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=99) 0 -18.268472 -10.735502 -10.279214 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=99) 0 -18.783255 -10.247011 -11.434354 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=99) 0 -18.765363 -9.270787 -11.435660 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=99) 0 -18.099532 -12.123672 -10.140224 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=99) 0 -18.408241 -12.780558 -10.941645 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=99) 0 -17.572031 -12.646007 -8.948198 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=99) 0 -17.489946 -13.715779 -8.833103 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=99) 0 -15.110558 -13.732600 -5.210945 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=99) 0 -15.176211 -14.948223 -5.437961 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=100) 0 -14.760081 -13.280921 -3.996342 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=100) 0 -14.660736 -14.113630 -2.810790 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=100) 0 -14.106150 -15.028943 -3.015126 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=100) 0 -15.663586 -14.355678 -2.471307 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=100) 0 -13.940732 -13.272547 -1.757097 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=100) 0 -12.870939 -13.467333 -1.803690 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=100) 0 -14.324448 -13.468091 -0.755971 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=100) 0 -14.207302 -11.835287 -2.200618 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=100) 0 -13.430248 -11.148387 -1.862216 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=100) 0 -15.183880 -11.517332 -1.839893 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=100) 0 -14.254296 -11.945048 -3.721961 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=100) 0 -14.947616 -11.194878 -4.095717 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=100) 0 -12.867225 -11.754842 -4.360751 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=100) 0 -12.044634 -12.675963 -4.383166 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=101) 0 -12.590936 -10.550868 -4.848801 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=101) 0 -13.329612 -9.853559 -4.809519 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=101) 0 -11.218758 -10.056379 -5.023891 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=101) 0 -10.536247 -10.890410 -5.180304 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=101) 0 -11.103208 -9.151354 -6.256898 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=101) 0 -11.949094 -8.473249 -6.298627 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=101) 0 -9.810218 -8.342817 -6.358693 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=101) 0 -8.951972 -9.012879 -6.367445 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=101) 0 -9.822072 -7.763284 -7.280336 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=101) 0 -9.722061 -7.647377 -5.526307 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=101) 0 -11.117838 -9.967625 -7.396020 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=101) 0 -11.930433 -10.512714 -7.387905 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=101) 0 -10.808830 -9.355718 -3.734496 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=101) 0 -11.636358 -8.718834 -3.083189 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=102) 0 -9.543136 -9.492241 -3.352132 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=102) 0 -8.916974 -10.019312 -3.951145 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=102) 0 -8.950309 -8.839856 -2.188468 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=102) 0 -9.616633 -8.046703 -1.873000 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=102) 0 -8.774537 -9.798289 -0.987587 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=102) 0 -7.926411 -10.446788 -1.192243 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=102) 0 -8.461712 -8.947880 0.255077 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=102) 0 -8.266916 -9.587796 1.116483 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=102) 0 -7.581760 -8.326317 0.098564 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=102) 0 -9.313017 -8.305397 0.474164 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=102) 0 -9.991900 -10.687774 -0.637767 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=102) 0 -9.948602 -10.953285 0.419639 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=102) 0 -10.915140 -10.131213 -0.800937 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=102) 0 -10.039461 -12.013106 -1.408480 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=102) 0 -10.260082 -11.840844 -2.457580 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=102) 0 -9.084467 -12.531503 -1.317800 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=102) 0 -10.819415 -12.646418 -0.989722 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=102) 0 -7.610024 -8.226608 -2.607191 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=102) 0 -6.756158 -8.935176 -3.145823 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=103) 0 -7.413818 -6.930240 -2.347266 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=103) 0 -8.176764 -6.422425 -1.906598 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=103) 0 -6.171555 -6.191594 -2.647258 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=103) 0 -5.365736 -6.903743 -2.827226 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=103) 0 -6.348760 -5.335455 -3.912917 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=103) 0 -7.269322 -4.759718 -3.840912 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=103) 0 -5.515390 -4.633041 -3.985769 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=103) 0 -6.354107 -6.189840 -5.186144 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=103) 0 -5.395894 -6.699384 -5.247465 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=103) 0 -7.151650 -6.931653 -5.145560 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=103) 0 -6.531540 -5.331752 -6.441564 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=103) 0 -7.588201 -5.110597 -6.599509 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=103) 0 -5.997551 -4.390363 -6.310046 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=103) 0 -5.933727 -6.030091 -7.666602 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=103) 0 -5.892907 -5.310068 -8.489400 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=103) 0 -4.908528 -6.320350 -7.427460 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=103) 0 -6.695324 -7.222339 -8.106825 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=103) 0 -7.615273 -6.977863 -8.466325 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=103) 0 -6.193683 -7.680597 -8.859319 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=103) 0 -6.758046 -7.927238 -7.371128 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=103) 0 -5.713079 -5.321602 -1.479593 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=103) 0 -6.518174 -4.943876 -0.636924 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=104) 0 -4.433408 -4.979188 -1.447012 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=104) 0 -3.850423 -5.308066 -2.209174 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=104) 0 -3.811416 -4.048547 -0.507858 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=104) 0 -4.508439 -3.823357 0.296415 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=104) 0 -2.573026 -4.722712 0.089655 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=104) 0 -2.883782 -5.664719 0.533299 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=104) 0 -1.890573 -4.967371 -0.721783 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=104) 0 -1.824818 -3.916731 1.136840 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=104) 0 -2.469555 -3.518579 2.324082 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=104) 0 -3.505285 -3.775432 2.490558 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=104) 0 -1.773565 -2.775026 3.293911 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=104) 0 -2.280446 -2.461018 4.193810 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=104) 0 -0.423538 -2.441453 3.088988 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=104) 0 0.117781 -1.869865 3.828902 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=104) 0 0.225314 -2.849342 1.911879 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=104) 0 1.268086 -2.613774 1.755141 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=104) 0 -0.473031 -3.578506 0.934571 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=104) 0 0.040852 -3.883418 0.031901 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=104) 0 -3.461304 -2.728267 -1.194888 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=104) 0 -3.197843 -2.713993 -2.392686 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=105) 0 -3.467171 -1.640508 -0.424453 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=105) 0 -3.748365 -1.753122 0.544157 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=105) 0 -3.119673 -0.281045 -0.833966 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=105) 0 -2.413678 -0.319288 -1.666499 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=105) 0 -4.385492 0.462669 -1.283051 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=105) 0 -5.124209 0.397672 -0.482746 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=105) 0 -4.132231 1.515473 -1.405661 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=105) 0 -5.028091 -0.009784 -2.575683 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=105) 0 -4.750829 0.657309 -3.784162 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=105) 0 -4.040359 1.471623 -3.799721 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=105) 0 -5.403137 0.272127 -4.969016 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=105) 0 -5.195454 0.788657 -5.896002 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=105) 0 -6.318001 -0.795527 -4.953548 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=105) 0 -6.814864 -1.090520 -5.866250 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=105) 0 -6.579917 -1.480768 -3.754614 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=105) 0 -7.279316 -2.303116 -3.743323 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=105) 0 -5.942682 -1.080822 -2.566329 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=105) 0 -6.147586 -1.601557 -1.643322 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=105) 0 -2.466911 0.478433 0.337752 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=105) 0 -2.692271 0.158835 1.511666 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=106) 0 -1.681803 1.517062 0.023274 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=106) 0 -1.604505 1.777646 -0.952144 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=106) 0 -0.952204 2.355513 0.993898 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=106) 0 -1.396513 2.237547 1.980086 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=106) 0 0.534203 1.956033 1.044542 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=106) 0 0.998926 2.271395 0.107730 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=106) 0 0.994731 2.507922 1.863385 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=106) 0 0.859522 0.473863 1.255274 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=106) 0 0.538202 0.162786 2.248684 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=106) 0 0.338650 -0.127925 0.510760 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=106) 0 2.365871 0.225457 1.082756 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=106) 0 2.518983 -0.849274 1.067649 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=106) 0 2.684981 0.619612 0.115586 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=106) 0 3.185952 0.832011 2.150021 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=106) 0 3.450949 1.805521 2.061744 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=106) 0 3.605754 0.252681 3.256419 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=106) 0 3.515378 -1.022727 3.468254 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=106) 0 3.496691 -1.638959 2.655074 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=106) 0 3.921448 -1.402895 4.315314 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=106) 0 4.137588 0.990325 4.177454 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=106) 0 4.375513 1.949821 3.930139 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=106) 0 4.384250 0.622730 5.091153 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=106) 0 -1.014580 3.837013 0.614198 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=106) 0 -1.232434 4.142481 -0.550036 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=107) 0 -0.687746 4.741754 1.539907 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=107) 0 -0.602006 4.389133 2.486904 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=107) 0 -0.196981 6.110650 1.272521 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=107) 0 -0.188279 6.630056 2.231464 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=107) 0 1.262262 6.025440 0.785031 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=107) 0 1.265872 5.645984 -0.237090 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=107) 0 1.711260 7.018821 0.777517 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=107) 0 2.131425 5.136963 1.641334 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=107) 0 2.169999 5.239277 2.859970 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=107) 0 2.837458 4.215293 1.048585 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=107) 0 3.542008 3.773692 1.631051 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=107) 0 2.935683 4.191039 0.040462 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=107) 0 -1.042268 7.004118 0.330168 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=107) 0 -0.492765 7.883819 -0.343159 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=108) 0 -2.353485 6.773380 0.207603 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=108) 0 -2.752709 6.001457 0.731302 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=108) 0 -3.179689 7.455989 -0.804665 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=108) 0 -4.228438 7.352098 -0.562105 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=108) 0 -2.963252 8.522607 -0.774958 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=108) 0 -2.953385 6.973825 -2.249739 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=108) 0 -3.498941 7.559994 -3.181196 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=109) 0 -2.126147 5.948093 -2.449014 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=109) 0 -1.791408 5.446083 -1.634413 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=109) 0 -1.502253 5.569135 -3.714223 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=109) 0 -1.497735 6.441382 -4.369117 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=109) 0 -0.038058 5.181811 -3.440441 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=109) 0 0.420794 5.945300 -2.813228 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=109) 0 0.008787 4.235197 -2.900230 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=109) 0 0.757968 5.075083 -4.736493 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=109) 0 0.979900 6.136504 -5.370711 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=109) 0 1.120940 3.950112 -5.146153 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=109) 0 -2.268549 4.450607 -4.430636 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=109) 0 -2.086038 3.258929 -4.172709 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=110) 0 -3.119676 4.828945 -5.383470 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=110) 0 -3.260609 5.818449 -5.550811 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=110) 0 -3.874444 3.859192 -6.195574 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=110) 0 -4.273077 3.104757 -5.518989 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=110) 0 -5.079849 4.501803 -6.887485 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=110) 0 -5.624583 3.721806 -7.415771 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=110) 0 -6.029256 5.171001 -5.894221 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=110) 0 -5.529955 5.984927 -5.367794 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=110) 0 -6.890183 5.573644 -6.421896 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=110) 0 -6.381584 4.433226 -5.176837 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=110) 0 -4.682528 5.481593 -7.816211 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=110) 0 -5.402326 5.522524 -8.472718 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=110) 0 -3.005900 3.096501 -7.206076 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=110) 0 -3.459072 2.087378 -7.746289 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=111) 0 -1.748819 3.514313 -7.406686 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=111) 0 -1.468908 4.384120 -6.974652 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=111) 0 -0.708162 2.782106 -8.136647 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=111) 0 -1.165045 2.331163 -9.017649 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=111) 0 0.340695 3.786806 -8.626485 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=111) 0 0.820868 4.275785 -7.779719 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=111) 0 1.107706 3.264781 -9.197859 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=111) 0 -0.127557 4.529842 -9.271704 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=111) 0 -0.066889 1.622942 -7.336438 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=111) 0 0.805712 0.924872 -7.855391 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=112) 0 -0.526621 1.355925 -6.106725 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=112) 0 -1.182163 2.009781 -5.696492 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=112) 0 -0.085613 0.228860 -5.266468 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=112) 0 0.783120 -0.238700 -5.728310 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=112) 0 0.385080 0.785884 -3.911265 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=112) 0 -0.419057 1.354299 -3.442042 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=112) 0 0.656433 -0.040511 -3.252718 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=112) 0 1.530087 1.605674 -4.064610 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=112) 0 1.264459 2.458099 -4.491227 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=112) 0 -1.122964 -0.913178 -5.083822 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=112) 0 -1.259418 -1.377392 -3.954716 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=113) 0 -1.871200 -1.391737 -6.109726 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=113) 0 -1.751302 -1.049882 -7.524013 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=113) 0 -0.744005 -1.235987 -7.895352 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=113) 0 -2.030728 -0.010763 -7.674474 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=113) 0 -2.764841 -1.908950 -8.275769 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=113) 0 -2.323319 -2.870522 -8.540757 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=113) 0 -3.143569 -1.402817 -9.161899 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=113) 0 -3.847297 -2.093990 -7.219230 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=113) 0 -4.518373 -2.918405 -7.457705 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=113) 0 -4.415604 -1.169350 -7.125537 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=113) 0 -3.000003 -2.327544 -5.957697 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=113) 0 -3.584388 -2.056365 -5.077023 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=113) 0 -2.566795 -3.805241 -5.800824 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=113) 0 -2.985827 -4.674612 -6.575242 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=114) 0 -1.707729 -4.115041 -4.824520 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=114) 0 -1.458583 -3.364500 -4.184144 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=114) 0 -1.140970 -5.461208 -4.605913 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=114) 0 -0.598993 -5.755932 -5.503251 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=114) 0 -0.150512 -5.390431 -3.430669 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=114) 0 0.648282 -4.691851 -3.683655 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=114) 0 -0.674848 -4.970512 -2.573948 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=114) 0 0.471929 -6.731179 -2.986681 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=114) 0 0.941207 -6.558747 -2.017990 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=114) 0 -0.303739 -7.472384 -2.809968 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=114) 0 1.553806 -7.285164 -3.937011 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=114) 0 1.940373 -6.474590 -4.557148 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=114) 0 2.386686 -7.647380 -3.332200 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=114) 0 1.110492 -8.430886 -4.851070 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=114) 0 0.247732 -8.114311 -5.436666 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=114) 0 1.928748 -8.649191 -5.542823 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=114) 0 0.782752 -9.654010 -4.087024 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=114) 0 -0.080133 -9.551699 -3.561074 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=114) 0 0.646187 -10.461838 -4.693158 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=114) 0 1.507510 -9.902311 -3.416879 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=114) 0 -2.238930 -6.495031 -4.340747 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=114) 0 -3.046575 -6.324441 -3.434131 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=115) 0 -2.244972 -7.605539 -5.072830 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=115) 0 -1.619266 -7.665330 -5.867982 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=115) 0 -3.153099 -8.729186 -4.806148 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=115) 0 -4.175354 -8.357232 -4.824751 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=115) 0 -3.001014 -9.782766 -5.915705 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=115) 0 -2.756916 -9.294365 -6.860330 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=115) 0 -2.175726 -10.450169 -5.666013 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=115) 0 -4.277584 -10.605919 -6.117010 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=115) 0 -4.024812 -11.504415 -6.683246 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=115) 0 -4.674921 -10.921514 -5.149982 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=115) 0 -5.328908 -9.811462 -6.899073 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=115) 0 -5.182506 -9.666447 -8.133406 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=115) 0 -6.334287 -9.358433 -6.308119 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=115) 0 -2.905674 -9.346745 -3.414987 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=115) 0 -1.761504 -9.610984 -3.044688 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=116) 0 -3.963015 -9.598470 -2.642633 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=116) 0 -4.889595 -9.376199 -2.992678 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=116) 0 -3.884890 -10.320563 -1.368400 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=116) 0 -2.879838 -10.230293 -0.953104 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=116) 0 -4.859432 -9.697857 -0.361356 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=116) 0 -4.455726 -8.732329 -0.062455 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=116) 0 -5.799924 -9.508850 -0.866680 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=116) 0 -5.174063 -10.532560 0.873532 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=116) 0 -4.515680 -10.278219 2.089512 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=116) 0 -3.774250 -9.495596 2.140717 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=116) 0 -4.831702 -11.028762 3.239462 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=116) 0 -4.334586 -10.825627 4.172028 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=116) 0 -5.815986 -12.036469 3.176968 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=116) 0 -6.134606 -12.764750 4.275169 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=116) 0 -5.520788 -12.607958 5.003957 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=116) 0 -6.472623 -12.297280 1.961339 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=116) 0 -7.212197 -13.081557 1.922647 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=116) 0 -6.144894 -11.555215 0.813121 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=116) 0 -6.633436 -11.788864 -0.120457 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=116) 0 -4.181940 -11.805481 -1.569378 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=116) 0 -5.100999 -12.174056 -2.306515 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=117) 0 -3.467589 -12.671684 -0.849884 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=117) 0 -2.712931 -12.316392 -0.277467 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=117) 0 -3.890948 -14.056039 -0.595950 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=117) 0 -4.975484 -14.069058 -0.512194 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=117) 0 -3.495233 -14.995322 -1.749649 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=117) 0 -2.410376 -15.002409 -1.850793 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=117) 0 -3.996473 -16.427324 -1.561457 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=117) 0 -5.085777 -16.446063 -1.520314 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=117) 0 -3.646847 -17.053800 -2.379239 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=117) 0 -3.594833 -16.848495 -0.646272 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=117) 0 -4.077591 -14.547466 -2.962257 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=117) 0 -4.559853 -13.721941 -2.749034 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=117) 0 -3.312939 -14.555337 0.732065 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=117) 0 -2.164810 -14.268689 1.069119 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=118) 0 -4.107856 -15.316093 1.480591 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=118) 0 -5.053364 -15.457656 1.135414 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=118) 0 -3.721778 -16.095176 2.656949 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=118) 0 -2.733669 -16.530980 2.502859 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=118) 0 -3.657004 -15.152825 3.869948 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=118) 0 -4.640644 -14.733903 4.059308 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=118) 0 -3.327431 -15.704153 4.749654 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=118) 0 -2.955041 -14.340010 3.680188 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=118) 0 -4.735587 -17.252730 2.816550 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=118) 0 -4.981546 -17.994501 1.858825 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=119) 0 -5.365037 -17.379164 3.987814 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=119) 0 -5.031489 -16.796355 4.739695 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=119) 0 -6.750834 -17.843096 4.103753 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=119) 0 -6.955887 -18.618154 3.366894 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=119) 0 -6.904265 -18.275658 5.088967 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=119) 0 -7.733313 -16.682272 3.878551 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=119) 0 -7.532667 -15.878949 2.964599 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=120) 0 -8.792431 -16.570684 4.689133 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=120) 0 -8.897090 -17.271217 5.418788 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=120) 0 -9.745989 -15.435825 4.683181 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=120) 0 -9.225871 -14.541763 4.334128 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=120) 0 -10.919146 -15.733903 3.730005 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=120) 0 -11.344074 -16.705893 3.969778 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=120) 0 -11.703582 -14.993611 3.885185 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=120) 0 -10.521090 -15.681459 2.250462 L H-H1 57 0.0000 H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=120) 0 -10.056028 -14.716724 2.040299 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=120) 0 -9.815691 -16.479095 2.020434 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=120) 0 -10.291525 -15.041080 6.063555 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=120) 0 -11.113102 -14.131950 6.138198 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=121) 0 -9.870229 -15.699572 7.139246 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=121) 0 -9.149298 -16.404278 7.029818 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=121) 0 -10.261860 -15.351758 8.506324 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=121) 0 -11.335131 -15.176424 8.508005 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=121) 0 -9.960454 -16.533744 9.448500 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=121) 0 -9.994038 -17.469339 8.888169 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=121) 0 -8.965524 -16.420061 9.882406 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=121) 0 -11.019072 -16.601931 10.553808 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=121) 0 -11.038197 -15.649419 11.076684 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=121) 0 -11.991007 -16.766724 10.089716 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=121) 0 -10.793551 -17.697618 11.589380 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=121) 0 -10.195508 -18.752004 11.269701 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=121) 0 -11.247347 -17.510308 12.742887 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=121) 0 -9.584959 -14.050682 8.970975 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=121) 0 -8.577770 -13.628878 8.401215 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=122) 0 -10.093967 -13.406736 10.020490 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=122) 0 -10.972703 -13.733433 10.419743 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=122) 0 -9.551655 -12.139455 10.503559 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=122) 0 -9.672263 -11.409739 9.705862 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=122) 0 -10.384983 -11.680970 11.692494 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=122) 0 -10.328000 -12.413684 12.497963 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=122) 0 -10.020838 -10.718721 12.051134 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=122) 0 -11.410604 -11.580748 11.350458 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=122) 0 -8.053765 -12.182022 10.847691 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=122) 0 -7.348981 -11.223892 10.548452 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=123) 0 -7.530576 -13.280231 11.395750 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=123) 0 -8.168707 -14.002548 11.712158 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=123) 0 -6.084127 -13.449674 11.590309 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=123) 0 -5.684437 -12.481389 11.891459 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=123) 0 -5.773752 -14.392982 12.759552 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=123) 0 -4.728805 -14.252020 13.041792 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=123) 0 -6.383517 -14.112988 13.620478 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=123) 0 -5.994812 -15.867690 12.438058 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=123) 0 -7.157355 -16.332882 12.514436 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=123) 0 -5.002693 -16.593867 12.194902 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=123) 0 -5.330595 -13.828813 10.302332 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=123) 0 -4.159515 -13.489500 10.185689 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=124) 0 -5.980952 -14.414107 9.289184 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=124) 0 -6.975646 -14.575509 9.385543 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=124) 0 -5.377582 -14.578508 7.952909 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=124) 0 -4.391436 -15.029658 8.064928 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=124) 0 -6.230268 -15.479530 7.043392 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=124) 0 -7.155864 -14.966451 6.788217 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=124) 0 -5.683792 -15.622879 6.112586 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=124) 0 -6.563376 -16.858125 7.604940 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=124) 0 -5.743647 -17.432406 8.351146 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=124) 0 -7.620030 -17.408360 7.220783 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=124) 0 -5.216822 -13.222139 7.246803 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=124) 0 -4.266723 -12.998281 6.491142 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=125) 0 -6.160275 -12.310740 7.486756 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=125) 0 -6.957618 -12.623643 8.036467 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=125) 0 -6.150406 -10.915782 7.038369 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=125) 0 -5.875468 -10.862999 5.987501 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=125) 0 -7.582935 -10.344840 7.188917 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=125) 0 -7.955697 -10.603958 8.177942 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=125) 0 -7.601107 -8.812826 7.080289 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=125) 0 -7.090464 -8.367245 7.933608 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=125) 0 -7.106723 -8.501825 6.164926 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=125) 0 -8.624698 -8.444790 7.074608 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=125) 0 -8.529894 -10.981189 6.142582 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=125) 0 -8.329995 -10.551500 5.159811 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=125) 0 -8.341552 -12.053081 6.078523 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=125) 0 -10.018446 -10.813760 6.477359 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=125) 0 -10.302347 -9.762987 6.475115 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=125) 0 -10.612339 -11.340546 5.731563 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=125) 0 -10.231933 -11.245125 7.454997 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=125) 0 -5.085608 -10.130443 7.814621 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=125) 0 -4.216387 -9.490642 7.218933 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=126) 0 -5.111926 -10.211724 9.146227 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=126) 0 -5.857023 -10.753792 9.575526 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=126) 0 -4.257132 -9.404274 10.020610 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=126) 0 -4.217031 -8.400928 9.597448 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=126) 0 -4.884051 -9.253573 11.421865 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=126) 0 -5.157689 -10.231917 11.814500 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=126) 0 -3.938484 -8.577279 12.416116 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=126) 0 -3.577529 -7.640058 11.995347 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=126) 0 -4.458684 -8.374324 13.353546 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=126) 0 -3.099114 -9.236835 12.632446 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=126) 0 -6.132490 -8.361412 11.325790 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=126) 0 -6.602244 -8.267560 12.302780 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=126) 0 -5.851976 -7.373497 10.968956 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=126) 0 -6.859323 -8.783214 10.635020 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=126) 0 -2.807071 -9.891281 10.026691 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=126) 0 -1.931094 -9.049337 9.864924 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=127) 0 -2.505821 -11.195696 10.083884 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=127) 0 -3.251210 -11.879443 10.181879 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=127) 0 -1.118466 -11.691058 9.991547 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=127) 0 -0.541369 -11.311217 10.836884 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=127) 0 -1.083445 -13.229719 10.002568 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=127) 0 -1.793550 -13.612292 9.274538 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=127) 0 -0.091191 -13.560972 9.698726 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=127) 0 -1.365262 -13.881444 11.337653 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=127) 0 -1.454602 -13.245517 12.378725 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=127) 0 -1.433513 -15.187527 11.358199 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=127) 0 -1.730463 -15.650797 12.208760 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=127) 0 -1.388534 -15.704881 10.492066 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=127) 0 -0.422745 -11.216696 8.707996 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=127) 0 0.754996 -10.868189 8.734407 L N-N--0.415700(PDBName=N,ResName=TRP,ResNum=128) 0 -1.152335 -11.174962 7.590759 L H-H-0.271900(PDBName=H,ResName=TRP,ResNum=128) 0 -2.112810 -11.486954 7.637625 L C-CT--0.027500(PDBName=CA,ResName=TRP,ResNum=128) 0 -0.634245 -10.714031 6.304226 L H-H1-0.112300(PDBName=HA,ResName=TRP,ResNum=128) 0 0.297551 -11.239140 6.090152 L C-CT--0.005000(PDBName=CB,ResName=TRP,ResNum=128) 0 -1.657525 -11.086174 5.230556 L H-HC-0.033900(PDBName=HB2,ResName=TRP,ResNum=128) 0 -1.957815 -12.124021 5.374983 L H-HC-0.033900(PDBName=HB3,ResName=TRP,ResNum=128) 0 -2.540654 -10.465146 5.369020 L C-C*--0.141500(PDBName=CG,ResName=TRP,ResNum=128) 0 -1.194848 -10.948530 3.817874 L C-CW--0.163800(PDBName=CD1,ResName=TRP,ResNum=128) 0 -0.692616 -11.947374 3.060762 L H-H4-0.206200(PDBName=HD1,ResName=TRP,ResNum=128) 0 -0.551228 -12.969638 3.391368 L N-NA--0.341800(PDBName=NE1,ResName=TRP,ResNum=128) 0 -0.377048 -11.468345 1.805756 L H-H-0.341200(PDBName=HE1,ResName=TRP,ResNum=128) 0 0.088975 -12.040635 1.104909 L C-CN-0.138000(PDBName=CE2,ResName=TRP,ResNum=128) 0 -0.684836 -10.132019 1.680372 L C-CA--0.260100(PDBName=CZ2,ResName=TRP,ResNum=128) 0 -0.573341 -9.214867 0.626312 L H-HA-0.157200(PDBName=HZ2,ResName=TRP,ResNum=128) 0 -0.177436 -9.527363 -0.330387 L C-CA--0.113400(PDBName=CH2,ResName=TRP,ResNum=128) 0 -0.970451 -7.884195 0.838298 L H-HA-0.141700(PDBName=HH2,ResName=TRP,ResNum=128) 0 -0.880327 -7.162702 0.037491 L C-CA--0.197200(PDBName=CZ3,ResName=TRP,ResNum=128) 0 -1.465175 -7.491993 2.097039 L H-HA-0.144700(PDBName=HZ3,ResName=TRP,ResNum=128) 0 -1.756006 -6.466929 2.268428 L C-CA--0.238700(PDBName=CE3,ResName=TRP,ResNum=128) 0 -1.571468 -8.419136 3.147950 L H-HA-0.170000(PDBName=HE3,ResName=TRP,ResNum=128) 0 -1.960608 -8.105833 4.104098 L C-CB-0.124300(PDBName=CD2,ResName=TRP,ResNum=128) 0 -1.189975 -9.764771 2.964662 L C-C-0.597300(PDBName=C,ResName=TRP,ResNum=128) 0 -0.334339 -9.205956 6.315380 L O-O--0.567900(PDBName=O,ResName=TRP,ResNum=128) 0 0.700823 -8.776792 5.805289 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=129) 0 -1.192065 -8.399587 6.951837 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=129) 0 -2.028589 -8.818765 7.344582 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=129) 0 -0.982506 -6.958553 7.147838 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=129) 0 -0.697738 -6.514222 6.193715 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=129) 0 -2.309968 -6.330094 7.618557 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=129) 0 -2.695156 -6.915109 8.453753 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=129) 0 -2.120248 -5.321766 7.988357 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=129) 0 -3.380466 -6.259618 6.509512 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=129) 0 -3.392055 -7.189778 5.943036 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=129) 0 -4.773948 -6.055590 7.105450 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=129) 0 -4.821238 -5.126580 7.667078 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=129) 0 -5.516218 -6.032064 6.308686 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=129) 0 -5.010163 -6.887116 7.768249 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=129) 0 -3.088097 -5.105362 5.547832 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=129) 0 -3.057771 -4.161607 6.090146 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=129) 0 -2.136538 -5.265219 5.042786 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=129) 0 -3.868570 -5.048911 4.793500 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=129) 0 0.171980 -6.668919 8.127220 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=129) 0 0.992384 -5.782549 7.866759 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=130) 0 0.316913 -7.467538 9.192904 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=130) 0 -0.404452 -8.171592 9.332173 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=130) 0 1.399688 -7.415004 10.202988 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=130) 0 1.536659 -6.376348 10.508990 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=130) 0 0.991972 -8.227746 11.456433 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=130) 0 0.906637 -9.272580 11.152473 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=130) 0 1.787993 -8.176921 12.201056 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=130) 0 -0.335276 -7.831213 12.138023 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=130) 0 -1.011027 -7.385098 11.411592 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=130) 0 -0.792100 -8.751735 12.503102 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=130) 0 -0.240322 -6.862072 13.322544 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=130) 0 0.421755 -7.271235 14.087799 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=130) 0 0.140977 -5.901035 12.975815 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=130) 0 -1.661133 -6.704862 13.890386 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=130) 0 -2.316257 -6.327248 13.102676 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=130) 0 -2.029318 -7.690514 14.190941 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=130) 0 -1.739304 -5.797471 15.052122 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=130) 0 -1.175189 -6.138284 15.824180 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=130) 0 -1.402520 -4.871808 14.827195 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=130) 0 -2.706236 -5.742100 15.387220 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=130) 0 2.771336 -7.878292 9.656200 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=130) 0 3.666812 -8.205411 10.432288 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=131) 0 2.935907 -7.923234 8.325345 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=131) 0 2.104079 -7.764512 7.776707 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=131) 0 4.186674 -8.211200 7.588847 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=131) 0 5.009711 -8.283165 8.303493 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=131) 0 4.059617 -9.567747 6.868954 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=131) 0 3.158711 -9.572576 6.257079 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=131) 0 4.920251 -9.731607 6.218963 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=131) 0 4.007798 -10.707747 7.887149 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=131) 0 4.977049 -10.762135 8.378490 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=131) 0 3.246243 -10.492945 8.632822 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=131) 0 3.712776 -12.073243 7.265651 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=131) 0 2.972124 -11.965164 6.472509 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=131) 0 4.633037 -12.471326 6.836159 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=131) 0 3.154365 -13.049098 8.309891 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=131) 0 2.147523 -12.724431 8.583430 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=131) 0 3.075387 -14.041453 7.855982 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=131) 0 3.991234 -13.121876 9.529848 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=131) 0 4.086268 -12.220678 9.991700 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=131) 0 3.601902 -13.781384 10.197127 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=131) 0 4.931980 -13.442478 9.317186 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=131) 0 4.594852 -7.102014 6.608436 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=131) 0 5.607528 -7.243206 5.921887 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=132) 0 3.823969 -6.010957 6.528872 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=132) 0 3.011681 -5.982496 7.126835 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=132) 0 4.094711 -4.873363 5.625288 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=132) 0 5.175459 -4.774837 5.504547 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=132) 0 3.499318 -5.179606 4.238751 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=132) 0 3.763114 -4.371397 3.556812 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=132) 0 3.963757 -6.089850 3.860910 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=132) 0 1.970012 -5.354294 4.228483 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=132) 0 1.666416 -6.115294 4.948045 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=132) 0 1.498825 -4.409046 4.497750 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=132) 0 1.475109 -5.763118 2.839902 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=132) 0 0.387368 -5.705828 2.832100 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=132) 0 1.851812 -5.044345 2.111483 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=132) 0 1.886782 -7.135771 2.488454 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=132) 0 1.635636 -7.888786 3.115186 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=132) 0 2.535024 -7.519046 1.406459 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=132) 0 2.912374 -6.701443 0.476988 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=132) 0 2.779863 -5.692618 0.554132 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=132) 0 3.464820 -7.045669 -0.290885 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=132) 0 2.828581 -8.772133 1.244118 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=132) 0 2.582002 -9.410147 1.993783 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=132) 0 3.325502 -9.093347 0.426976 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=132) 0 3.629201 -3.506680 6.129744 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=132) 0 4.138502 -2.485971 5.682220 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=133) 0 2.637015 -3.461338 7.015113 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=133) 0 2.263179 -4.327538 7.366877 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=133) 0 2.099985 -2.201322 7.557818 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=133) 0 2.051485 -1.472483 6.747625 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=133) 0 0.674826 -2.377901 8.085367 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=133) 0 0.335016 -1.432109 8.506944 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=133) 0 -0.285039 -2.792535 6.969614 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=133) 0 -0.039753 -3.780785 6.585531 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=133) 0 -1.305388 -2.800135 7.348116 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=133) 0 -0.210324 -2.077169 6.154826 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=133) 0 0.629604 -3.369173 9.079389 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=133) 0 0.799522 -4.226304 8.660675 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=133) 0 3.021785 -1.598818 8.620892 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=133) 0 3.795311 -2.311415 9.261379 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=134) 0 2.964571 -0.276969 8.788262 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=134) 0 2.258152 0.234786 8.280503 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=134) 0 4.107136 0.511593 9.260480 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=134) 0 3.749164 1.381862 9.810402 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=134) 0 4.728535 -0.087453 9.926510 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=134) 0 4.958288 0.995468 8.073364 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=134) 0 4.533940 0.837695 6.921411 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=135) 0 6.133119 1.608138 8.306233 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=135) 0 6.803406 1.764126 9.588853 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=135) 0 6.775871 0.842575 10.171275 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=135) 0 6.339604 2.580925 10.143874 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=135) 0 8.252643 2.122627 9.253961 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=135) 0 8.837464 1.213921 9.108397 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=135) 0 8.704879 2.746334 10.025122 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=135) 0 8.124370 2.867579 7.925939 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=135) 0 9.041119 2.811817 7.337449 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=135) 0 7.866228 3.905314 8.123899 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=135) 0 6.943588 2.180624 7.234173 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=135) 0 6.358695 2.928770 6.702315 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=135) 0 7.399529 1.106931 6.242142 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=135) 0 7.878267 0.046883 6.647491 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=136) 0 7.271473 1.385820 4.940498 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=136) 0 6.837919 2.266045 4.675915 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=136) 0 7.637625 0.426421 3.891654 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=136) 0 7.082659 -0.500414 4.051801 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=136) 0 7.258113 0.990518 2.521835 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=136) 0 7.749646 1.949823 2.366569 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=136) 0 7.575798 0.293132 1.744732 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=136) 0 6.182883 1.113132 2.442301 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=136) 0 9.131349 0.072814 3.913960 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=136) 0 9.490512 -1.061886 3.607445 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=137) 0 9.992034 1.019907 4.304327 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=137) 0 9.623184 1.919239 4.565191 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=137) 0 11.373919 0.722787 4.648345 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=137) 0 11.708718 -0.108485 4.036989 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=137) 0 12.277238 1.907888 4.299575 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=137) 0 12.099385 2.735705 4.982785 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=137) 0 13.311719 1.587302 4.395256 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=137) 0 12.104718 2.229873 3.273166 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=137) 0 11.457506 0.298049 6.122804 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=137) 0 11.433149 1.140364 7.024105 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=138) 0 11.550709 -1.008356 6.363142 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=138) 0 11.526787 -1.646570 5.571227 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=138) 0 11.702839 -1.601885 7.697694 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=138) 0 10.842144 -1.331049 8.303848 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=138) 0 11.780013 -3.130330 7.586260 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=138) 0 12.701724 -3.395157 7.072549 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=138) 0 11.738642 -3.839807 8.938253 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=138) 0 10.819794 -3.583818 9.464940 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=138) 0 11.772419 -4.918566 8.783920 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=138) 0 12.599033 -3.551872 9.542639 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=138) 0 10.688527 -3.618432 6.839997 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=138) 0 10.967924 -4.478132 6.464062 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=138) 0 12.977150 -1.087223 8.362679 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=138) 0 14.044664 -1.122788 7.752668 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=139) 0 12.905655 -0.612836 9.604925 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=139) 0 12.011961 -0.594683 10.081617 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=139) 0 14.087515 -0.038496 10.270600 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=139) 0 14.636907 0.539896 9.528975 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=139) 0 13.699193 0.948729 11.374861 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=139) 0 13.253521 0.406544 12.207966 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=139) 0 14.909378 1.743488 11.862309 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=139) 0 15.377351 2.264795 11.026501 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=139) 0 14.590655 2.474219 12.601542 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=139) 0 15.635248 1.078778 12.329494 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=139) 0 12.759925 1.880107 10.873836 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=139) 0 11.929857 1.720824 11.365204 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=139) 0 15.023419 -1.137622 10.786565 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=139) 0 14.601706 -2.037294 11.514015 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=140) 0 16.301008 -1.062973 10.406745 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=140) 0 16.551613 -0.287721 9.800899 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=140) 0 17.335901 -2.075566 10.625594 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=140) 0 16.895757 -2.962648 11.078610 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=140) 0 17.936590 -2.474206 9.263304 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=140) 0 18.335265 -1.574751 8.797469 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=140) 0 18.774539 -3.151009 9.441129 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=140) 0 16.980931 -3.133203 8.256210 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=140) 0 16.111383 -2.504311 8.095831 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=140) 0 17.720055 -3.275132 6.925883 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=140) 0 18.671878 -3.776718 7.083422 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=140) 0 17.124076 -3.846756 6.217903 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=140) 0 17.907323 -2.284651 6.513094 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=140) 0 16.520102 -4.509824 8.727436 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=140) 0 15.915547 -4.408385 9.628566 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=140) 0 15.910574 -4.982876 7.959201 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=140) 0 17.385244 -5.132951 8.935043 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=140) 0 18.452414 -1.527942 11.535648 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=140) 0 19.197276 -0.635369 11.111361 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=141) 0 18.629408 -2.045713 12.762746 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=141) 0 17.706860 -2.915886 13.479588 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=141) 0 17.644839 -3.901402 13.015702 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=141) 0 16.722479 -2.449239 13.508217 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=141) 0 18.256395 -3.035841 14.902601 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=141) 0 18.884627 -3.922225 14.983434 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=141) 0 17.457266 -3.062199 15.644184 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=141) 0 19.133465 -1.798838 15.057279 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=141) 0 19.907729 -1.949820 15.810048 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=141) 0 18.512388 -0.939332 15.315380 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=141) 0 19.706836 -1.612571 13.650300 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=141) 0 19.920030 -0.556091 13.498541 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=141) 0 21.019533 -2.389353 13.445220 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=141) 0 22.060106 -1.942978 13.934664 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=142) 0 20.989089 -3.532830 12.749752 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=142) 0 20.101961 -3.839566 12.378713 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=142) 0 22.095140 -4.494696 12.671547 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=142) 0 23.035418 -3.955065 12.790563 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=142) 0 21.973018 -5.472337 13.846756 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=142) 0 22.927465 -5.986120 13.971123 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=142) 0 21.770122 -4.926564 14.770235 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=142) 0 20.879237 -6.508190 13.601527 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=142) 0 21.205971 -7.579622 13.045486 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=142) 0 19.706607 -6.274881 13.965886 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=142) 0 22.168966 -5.268125 11.333174 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=142) 0 21.216640 -5.310113 10.547879 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=143) 0 23.319295 -5.902227 11.080980 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=143) 0 24.062028 -5.853725 11.773299 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=143) 0 23.618303 -6.618788 9.839350 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=143) 0 23.370559 -5.981125 8.992059 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=143) 0 24.690232 -6.813073 9.817027 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=143) 0 22.905073 -7.964045 9.650693 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=143) 0 22.749143 -8.392305 8.503576 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=144) 0 22.446939 -8.625369 10.718514 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=144) 0 22.501635 -8.182774 11.629159 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=144) 0 21.710487 -9.889155 10.629095 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=144) 0 22.178456 -10.512568 9.871971 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=144) 0 21.807600 -10.665060 11.945384 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=144) 0 21.293644 -10.134444 12.745701 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=144) 0 21.343727 -11.644702 11.823184 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=144) 0 22.853569 -10.808533 12.210032 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=144) 0 20.252591 -9.640374 10.222616 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=144) 0 19.708088 -10.356506 9.378019 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=145) 0 19.630563 -8.586492 10.759804 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=145) 0 20.110362 -8.062228 11.490334 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=145) 0 18.326509 -8.120542 10.293228 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=145) 0 17.605561 -8.934114 10.391228 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=145) 0 17.872766 -6.963325 11.191286 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=145) 0 18.577447 -6.132706 11.128465 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=145) 0 16.883993 -6.623637 10.882380 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=145) 0 17.814606 -7.300649 12.226633 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=145) 0 18.384040 -7.724193 8.803882 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=145) 0 17.518937 -8.124613 8.023267 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=146) 0 19.443594 -7.016445 8.388845 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=146) 0 20.102583 -6.690213 9.086265 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=146) 0 19.646658 -6.602526 6.999800 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=146) 0 18.800139 -5.984351 6.700976 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=146) 0 20.919755 -5.749711 6.930492 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=146) 0 21.786327 -6.339184 7.224096 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=146) 0 21.074526 -5.399458 5.910794 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=146) 0 20.825954 -4.891449 7.596215 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=146) 0 19.695386 -7.785586 6.014342 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=146) 0 18.944716 -7.802586 5.038661 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=147) 0 20.509152 -8.813485 6.277966 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=147) 0 21.112555 -8.765144 7.090733 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=147) 0 20.619108 -9.960905 5.361371 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=147) 0 20.795724 -9.572293 4.357707 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=147) 0 21.819924 -10.844620 5.712760 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=147) 0 21.894741 -11.634259 4.963965 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=147) 0 22.727512 -10.243982 5.672201 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=147) 0 21.709031 -11.478704 7.099971 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=147) 0 21.937785 -10.717905 7.836317 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=147) 0 20.699284 -11.840743 7.282430 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=147) 0 22.662062 -12.650773 7.258048 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=147) 0 22.181181 -13.805928 7.241201 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=147) 0 23.881919 -12.421797 7.419623 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=147) 0 19.346571 -10.819322 5.283637 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=147) 0 19.116992 -11.471007 4.265290 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=148) 0 18.511231 -10.830781 6.329414 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=148) 0 18.771539 -10.307629 7.158355 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=148) 0 17.248621 -11.580002 6.333848 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=148) 0 17.375471 -12.465748 5.712374 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=148) 0 16.921118 -12.074620 7.739054 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=148) 0 17.819859 -12.487071 8.198972 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=148) 0 16.550348 -11.247753 8.347073 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=148) 0 15.945126 -13.094557 7.642565 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=148) 0 16.422750 -13.956650 7.632286 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=148) 0 16.090949 -10.771353 5.740902 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=148) 0 15.121986 -11.348695 5.237588 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=149) 0 16.194855 -9.438844 5.712063 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=149) 0 16.954810 -8.996752 6.221260 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=149) 0 15.363877 -8.596903 4.851992 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=149) 0 14.322712 -8.894199 4.980912 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=149) 0 15.487707 -7.133291 5.304215 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=149) 0 15.281588 -7.112630 6.375708 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=149) 0 16.505918 -6.771272 5.160095 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=149) 0 14.491950 -6.199559 4.587671 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=149) 0 13.583461 -6.750396 4.343159 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=149) 0 14.112425 -5.055219 5.518676 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=149) 0 14.979065 -4.441118 5.743340 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=149) 0 13.345160 -4.449238 5.042633 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=149) 0 13.699431 -5.454880 6.444382 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=149) 0 15.068342 -5.588107 3.307533 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=149) 0 15.274703 -6.359190 2.570092 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=149) 0 14.343952 -4.899845 2.873612 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=149) 0 15.985223 -5.042785 3.526824 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=149) 0 15.726873 -8.829939 3.379519 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=149) 0 14.837457 -9.130282 2.582629 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=150) 0 17.021764 -8.824371 3.041077 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=150) 0 17.698412 -8.544948 3.747142 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=150) 0 17.520473 -9.178105 1.696992 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=150) 0 17.062197 -8.503547 0.981467 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=150) 0 19.049771 -8.983885 1.615167 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=150) 0 19.518694 -9.460296 2.473985 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=150) 0 19.675179 -9.576768 0.346713 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=150) 0 19.131109 -9.232641 -0.532146 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=150) 0 20.720620 -9.277258 0.268450 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=150) 0 19.638702 -10.665476 0.383958 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=150) 0 19.381281 -7.487539 1.641884 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=150) 0 18.989385 -7.034034 2.548202 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=150) 0 20.462229 -7.342788 1.627004 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=150) 0 18.939458 -6.989013 0.779926 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=150) 0 17.102526 -10.591243 1.275707 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=150) 0 16.808149 -10.823294 0.105839 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=151) 0 16.997248 -11.532075 2.214202 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=151) 0 17.380279 -11.331541 3.130715 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=151) 0 16.530665 -12.892843 1.933273 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=151) 0 17.076495 -13.251809 1.060785 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=151) 0 16.861077 -13.786195 3.140199 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=151) 0 17.802538 -13.465863 3.568114 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=151) 0 16.099194 -13.656167 3.906682 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=151) 0 16.989628 -15.275644 2.804512 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=151) 0 17.221840 -15.818691 3.720587 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=151) 0 16.037464 -15.647722 2.423909 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=151) 0 18.102107 -15.531832 1.786311 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=151) 0 19.258462 -15.113067 2.024896 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=151) 0 17.810297 -16.117233 0.715568 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=151) 0 15.028818 -12.983939 1.610646 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=151) 0 14.604440 -13.943955 0.965043 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=152) 0 14.209275 -12.019126 2.043156 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=152) 0 14.628662 -11.219670 2.503193 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=152) 0 12.738357 -12.148663 2.060604 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=152) 0 12.530083 -13.160057 2.402001 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=152) 0 12.123986 -11.238790 3.127895 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=152) 0 11.054237 -11.442532 3.198445 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=152) 0 12.575211 -11.477603 4.090524 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=152) 0 12.310486 -9.860819 2.862862 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=152) 0 13.249153 -9.675286 2.650193 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=152) 0 12.033575 -12.020408 0.693948 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=152) 0 10.815162 -12.193659 0.597925 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=153) 0 12.793949 -11.773811 -0.372557 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=153) 0 13.788225 -11.663731 -0.218875 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=153) 0 12.355652 -11.721301 -1.773697 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=153) 0 11.612238 -12.491166 -1.967821 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=153) 0 11.732644 -10.343671 -2.014975 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=153) 0 10.769798 -10.291050 -1.504473 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=153) 0 12.401447 -9.611559 -1.567887 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=153) 0 11.565936 -9.976262 -3.370596 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=153) 0 12.108320 -9.162936 -3.463375 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=153) 0 13.567142 -11.956835 -2.682517 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=153) 0 14.702988 -11.714446 -2.271459 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=154) 0 13.369373 -12.386471 -3.930248 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=154) 0 12.422034 -12.580247 -4.239958 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=154) 0 14.467257 -12.550607 -4.908631 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=154) 0 15.247356 -13.158546 -4.456208 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=154) 0 13.961887 -13.290544 -6.149366 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=154) 0 13.153394 -12.718761 -6.604269 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=154) 0 14.771070 -13.375153 -6.876262 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=154) 0 13.482849 -14.699382 -5.794089 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=154) 0 14.341946 -15.296936 -5.486264 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=154) 0 12.775602 -14.668598 -4.963773 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=154) 0 12.790405 -15.334527 -6.989887 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=154) 0 13.424649 -16.145907 -7.703300 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=154) 0 11.589467 -15.047189 -7.210502 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=154) 0 15.123548 -11.220474 -5.322486 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=154) 0 16.174312 -11.218997 -5.963547 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=155) 0 14.502650 -10.109068 -4.918809 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=155) 0 13.629048 -10.259149 -4.435396 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=155) 0 14.921089 -8.710356 -5.057522 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=155) 0 15.992737 -8.653143 -5.238964 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=155) 0 14.160787 -8.062839 -6.229421 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=155) 0 13.091208 -8.194817 -6.063738 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=155) 0 14.430439 -6.559343 -6.324532 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=155) 0 15.494340 -6.374905 -6.474931 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=155) 0 13.845105 -6.158547 -7.145074 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=155) 0 14.099733 -6.047137 -5.422747 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=155) 0 14.515067 -8.708761 -7.576864 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=155) 0 14.290413 -9.774228 -7.555227 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=155) 0 13.905470 -8.272238 -8.366080 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=155) 0 15.572112 -8.572143 -7.798416 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=155) 0 14.577518 -7.967940 -3.760135 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=155) 0 13.458526 -8.116479 -3.268739 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=156) 0 15.483235 -7.142752 -3.234022 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=156) 0 16.373918 -7.051422 -3.715574 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=156) 0 15.298686 -6.312069 -2.035815 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=156) 0 14.248182 -6.053330 -1.917473 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=156) 0 15.726733 -7.134051 -0.817230 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=156) 0 16.778127 -7.404289 -0.916502 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=156) 0 15.582568 -6.550920 0.092847 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=156) 0 15.125109 -8.042019 -0.751338 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=156) 0 16.101778 -4.997640 -2.133224 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=156) 0 16.985627 -4.872523 -2.979440 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=157) 0 15.842431 -4.009855 -1.270186 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=157) 0 15.089235 -4.134402 -0.595588 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=157) 0 16.603959 -2.740264 -1.240399 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=157) 0 17.577807 -2.902610 -1.698064 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=157) 0 15.885502 -1.625208 -2.038382 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=157) 0 14.980541 -1.336563 -1.504773 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=157) 0 16.778599 -0.390777 -2.203823 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=157) 0 17.683366 -0.654425 -2.751111 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=157) 0 16.241846 0.381940 -2.754218 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=157) 0 17.054216 0.008252 -1.230688 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=157) 0 15.493989 -2.035047 -3.464996 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=157) 0 14.789367 -2.859376 -3.429092 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=157) 0 15.007846 -1.202766 -3.974319 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=157) 0 16.375440 -2.343578 -4.024909 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=157) 0 16.851193 -2.286835 0.200995 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=157) 0 15.953087 -2.373485 1.032555 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=158) 0 18.040631 -1.760614 0.512105 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=158) 0 18.750713 -1.707279 -0.213460 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=158) 0 18.327356 -1.107379 1.801359 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=158) 0 17.387587 -0.993019 2.327836 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=158) 0 19.229213 -1.971233 2.717060 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=158) 0 20.170008 -2.158890 2.201732 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=158) 0 19.533953 -1.225386 4.035424 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=158) 0 18.610104 -1.004430 4.569312 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=158) 0 20.190411 -1.814280 4.672797 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=158) 0 20.060730 -0.291543 3.840562 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=158) 0 18.546248 -3.328136 3.015773 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=158) 0 17.613708 -3.147456 3.551653 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=158) 0 18.303062 -3.827798 2.078419 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=158) 0 19.396188 -4.312289 3.825839 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=158) 0 18.837369 -5.237316 3.957848 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=158) 0 20.327053 -4.524472 3.298638 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=158) 0 19.615986 -3.911157 4.811727 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=158) 0 18.880667 0.305098 1.579950 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=158) 0 19.788389 0.505915 0.774258 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=159) 0 18.335694 1.280446 2.307091 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=159) 0 17.568738 1.028260 2.922275 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=159) 0 18.838180 2.650353 2.399852 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=159) 0 19.403317 2.900509 1.503674 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=159) 0 18.005692 3.346242 2.477936 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=159) 0 19.730674 2.834060 3.624504 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=159) 0 19.388993 2.399874 4.723035 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=160) 0 20.865731 3.491589 3.432150 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=160) 0 21.034622 3.887051 2.513424 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=160) 0 21.933194 3.677861 4.407178 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=160) 0 21.677921 3.198397 5.352594 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=160) 0 23.216339 3.029408 3.863198 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=160) 0 23.475705 3.487255 2.906965 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=160) 0 24.034798 3.238680 4.548820 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=160) 0 23.119878 1.529459 3.669805 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=160) 0 22.578839 1.004739 2.482217 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=160) 0 22.222580 1.669742 1.708930 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=160) 0 22.483649 -0.384618 2.305552 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=160) 0 22.032244 -0.775566 1.410318 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=160) 0 22.949810 -1.259143 3.299480 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=160) 0 22.875300 -2.328583 3.159228 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=160) 0 23.498953 -0.736302 4.481365 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=160) 0 23.859327 -1.403333 5.245063 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=160) 0 23.575941 0.653974 4.671606 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=160) 0 23.989855 1.050301 5.585803 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=160) 0 22.091322 5.176931 4.650706 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=160) 0 22.758094 5.870715 3.883205 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=161) 0 21.434504 5.677921 5.696586 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=161) 0 20.948391 5.035951 6.315730 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=161) 0 21.358854 7.101953 6.010707 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=161) 0 22.156618 7.630523 5.492685 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=161) 0 20.031326 7.683136 5.516317 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=161) 0 19.201667 7.179515 6.015553 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=161) 0 20.005840 8.735060 5.800884 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=161) 0 19.854143 7.585386 4.016365 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=161) 0 20.610423 8.417313 3.171034 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=161) 0 21.288604 9.142957 3.594901 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=161) 0 20.520764 8.275864 1.777335 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=161) 0 21.138102 8.886610 1.132544 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=161) 0 19.649631 7.320034 1.230032 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=161) 0 19.590334 7.201679 0.161744 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=161) 0 18.877614 6.499686 2.070748 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=161) 0 18.219054 5.758952 1.645436 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=161) 0 18.985841 6.625012 3.465424 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=161) 0 18.414844 5.976041 4.113045 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=161) 0 21.533199 7.326300 7.508437 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=161) 0 20.601630 7.142211 8.291722 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=162) 0 22.735720 7.744807 7.910448 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=162) 0 23.438841 7.916328 7.190705 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=162) 0 23.065482 8.071896 9.303768 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=162) 0 22.870093 7.203526 9.931601 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=162) 0 24.566289 8.380218 9.368920 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=162) 0 25.120309 7.503020 9.028483 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=162) 0 24.791513 9.212341 8.698662 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=162) 0 25.025240 8.740611 10.786136 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=162) 0 24.538910 9.669631 11.077095 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=162) 0 24.725177 7.959652 11.486739 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=162) 0 26.551633 8.903350 10.835165 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=162) 0 26.995758 7.929859 11.042321 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=162) 0 26.927810 9.238868 9.868909 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=162) 0 26.998555 9.905888 11.902919 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=162) 0 26.617608 9.594126 12.880261 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=162) 0 28.090939 9.898152 11.950363 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=162) 0 26.524400 11.273332 11.583328 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=162) 0 25.515390 11.346001 11.685663 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=162) 0 26.920048 11.962887 12.216130 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=162) 0 26.740085 11.539033 10.624622 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=162) 0 22.183217 9.206422 9.843327 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=162) 0 21.825556 9.195251 11.020212 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=163) 0 21.769191 10.133701 8.981546 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=163) 0 22.139117 10.102215 8.037827 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=163) 0 20.729490 11.123553 9.245738 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=163) 0 20.513237 11.134377 10.314223 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=163) 0 21.246206 12.516561 8.871096 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=163) 0 22.286753 12.609202 9.188830 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=163) 0 21.209347 12.671524 7.792749 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=163) 0 20.416952 13.569003 9.591703 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=163) 0 19.191561 13.658500 9.366304 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=163) 0 20.975974 14.202424 10.516132 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=163) 0 19.429174 10.760693 8.509897 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=163) 0 19.266336 11.027371 7.317418 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=164) 0 18.486525 10.139184 9.217606 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=164) 0 18.653975 9.974101 10.199875 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=164) 0 17.235608 9.633782 8.627558 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=164) 0 17.492927 9.266284 7.638564 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=164) 0 16.740673 8.395493 9.400232 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=164) 0 17.532761 7.646551 9.357049 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=164) 0 16.474830 8.698030 10.871012 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=164) 0 15.741736 9.499710 10.960158 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=164) 0 16.101221 7.803901 11.365950 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=164) 0 17.403187 8.984457 11.356925 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=164) 0 15.489403 7.759700 8.792258 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=164) 0 15.626288 7.641734 7.719975 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=164) 0 15.319528 6.781591 9.243950 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=164) 0 14.620595 8.387989 8.976767 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=164) 0 16.172780 10.726597 8.399078 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=164) 0 15.253942 10.534722 7.602727 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=165) 0 16.312690 11.911399 9.001193 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=165) 0 17.059548 12.013305 9.679969 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=165) 0 15.512155 13.106797 8.670351 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=165) 0 14.503304 12.790583 8.408678 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=165) 0 15.399448 14.042850 9.891036 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=165) 0 16.284767 13.964133 10.519062 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=165) 0 15.347152 15.075616 9.544267 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=165) 0 14.138369 13.795986 10.728395 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=165) 0 14.088125 14.559710 11.507267 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=165) 0 13.263466 13.922115 10.088972 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=165) 0 14.093647 12.411399 11.376878 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=165) 0 14.463333 12.286880 12.568615 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=165) 0 13.616730 11.452392 10.727094 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=165) 0 16.023203 13.874591 7.434443 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=165) 0 15.315223 14.756264 6.929412 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=166) 0 17.214735 13.553368 6.920120 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=166) 0 17.772292 12.864597 7.411200 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=166) 0 17.782541 14.183000 5.719076 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=166) 0 17.794856 15.259441 5.890323 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=166) 0 19.235887 13.745725 5.502425 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=166) 0 19.678164 14.368156 4.723353 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=166) 0 19.801178 13.895921 6.422837 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=166) 0 19.323674 12.390426 5.100674 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=166) 0 19.223456 11.839163 5.912439 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=166) 0 16.959197 13.930198 4.447958 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=166) 0 16.219887 12.946639 4.346637 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=167) 0 17.109567 14.824019 3.462655 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=167) 0 17.668607 15.649668 3.641736 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=167) 0 16.408426 14.803077 2.170640 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=167) 0 15.380654 15.141034 2.305877 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=167) 0 17.123234 15.747468 1.185961 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=167) 0 18.186811 15.504023 1.147374 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=167) 0 16.707492 15.582537 0.190030 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=167) 0 16.969103 17.223148 1.538449 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=167) 0 17.213411 17.597222 2.709260 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=167) 0 16.564467 18.002367 0.650395 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=167) 0 16.372750 13.404701 1.550650 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=167) 0 15.300476 12.870726 1.272953 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=168) 0 17.552598 12.804752 1.392527 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=168) 0 18.375239 13.333655 1.643171 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=168) 0 17.777305 11.516941 0.738526 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=168) 0 17.353432 11.543460 -0.264531 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=168) 0 19.282966 11.312331 0.617649 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=168) 0 19.743789 11.338162 1.607196 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=168) 0 19.486435 10.344022 0.162522 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=168) 0 19.820520 12.346204 -0.186811 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=168) 0 20.776043 12.133924 -0.289419 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=168) 0 17.163127 10.334403 1.484660 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=168) 0 16.650929 9.411761 0.853926 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=169) 0 17.144727 10.371975 2.817229 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=169) 0 17.522056 11.182527 3.291479 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=169) 0 16.532543 9.325511 3.628067 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=169) 0 16.891672 8.352647 3.291595 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=169) 0 16.975908 9.545985 5.068663 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=169) 0 16.596535 10.500238 5.432692 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=169) 0 16.593864 8.736219 5.688802 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=169) 0 18.060361 9.570778 5.122092 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=169) 0 15.001880 9.335105 3.511907 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=169) 0 14.370434 8.287811 3.350810 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=170) 0 14.399860 10.529293 3.523779 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=170) 0 14.981182 11.351429 3.676619 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=170) 0 12.953994 10.711526 3.342673 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=170) 0 12.433105 9.938016 3.902603 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=170) 0 12.554555 12.072039 3.929147 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=170) 0 13.206896 12.833014 3.500726 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=170) 0 11.535007 12.309808 3.637306 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=170) 0 12.647995 12.129364 5.469413 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=170) 0 13.621506 11.763429 5.795478 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=170) 0 12.567294 13.172232 5.772172 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=170) 0 11.527391 11.353331 6.186150 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=170) 0 10.568978 11.761238 5.860057 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=170) 0 11.553948 10.298089 5.921132 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=170) 0 11.622772 11.515437 7.711127 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=170) 0 11.888561 12.553464 7.930428 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=170) 0 10.642028 11.334391 8.159778 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=170) 0 12.615364 10.605590 8.328914 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=170) 0 13.489339 10.570659 7.813026 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=170) 0 12.870845 10.937426 9.260180 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=170) 0 12.266293 9.661325 8.469346 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=170) 0 12.517357 10.515472 1.882936 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=170) 0 11.437365 9.970427 1.659945 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=171) 0 13.374196 10.825726 0.906127 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=171) 0 14.205760 11.348385 1.159905 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=171) 0 13.217887 10.426578 -0.502805 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=171) 0 12.265282 10.792732 -0.886564 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=171) 0 14.364951 11.016459 -1.336813 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=171) 0 15.300014 10.864577 -0.804639 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=171) 0 14.444264 10.470678 -2.276724 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=171) 0 14.214237 12.511186 -1.641919 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=171) 0 13.833787 13.036080 -0.773603 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=171) 0 15.201540 12.913534 -1.864066 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=171) 0 13.298122 12.806182 -2.819156 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=171) 0 12.439767 12.025230 -3.209987 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=171) 0 13.481564 13.923127 -3.468669 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=171) 0 12.845934 14.155784 -4.220809 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=171) 0 14.179080 14.586160 -3.139175 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=171) 0 13.239780 8.902882 -0.673612 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=171) 0 12.424647 8.344619 -1.406399 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=172) 0 14.146901 8.216061 0.024691 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=172) 0 14.854038 8.725841 0.544744 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=172) 0 14.232611 6.759680 0.005214 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=172) 0 14.230124 6.431158 -1.027594 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=172) 0 15.555330 6.324253 0.639153 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=172) 0 16.380575 6.640017 -0.000628 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=172) 0 15.677265 6.815862 1.604105 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=172) 0 15.623484 4.830454 0.838840 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=172) 0 15.819282 3.979744 -0.261858 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=172) 0 15.972130 4.392650 -1.245609 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=172) 0 15.783527 2.588741 -0.087923 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=172) 0 15.912507 1.939577 -0.937697 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=172) 0 15.546820 2.046141 1.184809 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=172) 0 15.515171 0.973384 1.320864 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=172) 0 15.333306 2.897886 2.279803 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=172) 0 15.133413 2.481225 3.251149 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=172) 0 15.376347 4.289010 2.110668 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=172) 0 15.192384 4.942826 2.949335 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=172) 0 13.013231 6.090318 0.650688 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=172) 0 12.454356 5.159305 0.069196 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=173) 0 12.525589 6.618609 1.777616 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=173) 0 13.063415 7.342744 2.243608 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=173) 0 11.219031 6.242473 2.324923 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=173) 0 11.226516 5.172931 2.537936 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=173) 0 10.971311 7.016234 3.633870 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=173) 0 11.322848 8.038606 3.510430 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=173) 0 9.899486 7.063538 3.834170 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=173) 0 11.674586 6.363578 4.839187 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=173) 0 12.642694 5.970869 4.529717 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=173) 0 11.906864 7.377059 5.958803 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=173) 0 10.958974 7.817193 6.267961 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=173) 0 12.370460 6.879460 6.811450 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=173) 0 12.584795 8.152628 5.604848 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=173) 0 10.826316 5.218176 5.397505 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=173) 0 10.612814 4.493306 4.614794 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=173) 0 11.366328 4.723922 6.205779 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=173) 0 9.884196 5.605288 5.785559 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=173) 0 10.102760 6.469412 1.292375 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=173) 0 9.304683 5.567744 1.063515 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=174) 0 10.092261 7.600257 0.581997 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=174) 0 10.758358 8.327616 0.816207 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=174) 0 9.122079 7.862687 -0.487538 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=174) 0 8.132673 7.696301 -0.062178 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=174) 0 9.225829 9.337346 -0.929659 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=174) 0 10.206745 9.736584 -0.678342 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=174) 0 9.121816 9.410641 -2.008679 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=174) 0 8.148133 10.218524 -0.282696 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=174) 0 8.149329 10.068677 0.796794 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=174) 0 8.378287 11.264877 -0.480997 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=174) 0 6.761348 9.907816 -0.834762 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=174) 0 6.026381 9.073307 -0.322474 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=174) 0 6.355188 10.492955 -1.937132 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=174) 0 5.415283 10.304514 -2.270071 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=174) 0 6.929384 11.185299 -2.412660 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=174) 0 9.217280 6.892656 -1.684999 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=174) 0 8.196141 6.651330 -2.332443 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=175) 0 10.378777 6.292197 -1.964692 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=175) 0 11.199770 6.574740 -1.442548 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=175) 0 10.514375 5.209638 -2.946393 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=175) 0 9.927370 5.456672 -3.830992 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=175) 0 11.980822 5.098162 -3.371040 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=175) 0 12.587579 4.749376 -2.535746 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=175) 0 12.066891 4.387752 -4.194187 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=175) 0 12.345760 6.069380 -3.697481 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=175) 0 9.981735 3.867732 -2.414387 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=175) 0 9.202308 3.201694 -3.097478 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=176) 0 10.337498 3.504130 -1.177961 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=176) 0 10.986904 4.094834 -0.668595 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=176) 0 9.830294 2.305227 -0.507934 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=176) 0 10.134937 1.423541 -1.069521 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=176) 0 10.447029 2.254019 0.895394 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=176) 0 10.098954 3.093479 1.496260 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=176) 0 10.152684 1.325657 1.381339 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=176) 0 11.533560 2.298527 0.827748 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=176) 0 8.295826 2.305958 -0.433232 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=176) 0 7.630234 1.327038 -0.756432 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=177) 0 7.723281 3.454892 -0.079958 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=177) 0 8.340501 4.215158 0.194357 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=177) 0 6.283200 3.684452 0.033583 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=177) 0 5.849981 2.851671 0.586102 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=177) 0 6.086769 4.980302 0.847789 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=177) 0 6.674432 5.769827 0.377642 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=177) 0 5.056165 5.312991 0.803118 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=177) 0 6.512975 4.869083 2.329805 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=177) 0 7.536532 4.504861 2.396025 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=177) 0 6.494623 5.873856 2.756917 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=177) 0 5.652273 3.958211 3.212554 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=177) 0 4.733942 3.253463 2.736873 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=177) 0 5.861896 3.934983 4.447253 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=177) 0 5.544685 3.701380 -1.326698 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=177) 0 4.318274 3.837120 -1.354503 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=178) 0 6.257878 3.535110 -2.448955 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=178) 0 7.262906 3.447478 -2.354131 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=178) 0 5.704368 3.372957 -3.797882 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=178) 0 4.635041 3.589426 -3.776423 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=178) 0 6.365624 4.418145 -4.701022 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=178) 0 7.446045 4.277180 -4.716204 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=178) 0 5.983347 4.328162 -5.718084 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=178) 0 6.132732 5.409831 -4.319364 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=178) 0 5.850709 1.942190 -4.366470 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=178) 0 5.045107 1.540289 -5.216386 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=179) 0 6.809710 1.141105 -3.881596 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=179) 0 7.428443 1.513437 -3.169277 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=179) 0 7.001889 -0.272183 -4.262001 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=179) 0 6.134629 -0.602226 -4.830092 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=179) 0 8.223632 -0.465951 -5.201120 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=179) 0 9.127798 -0.188568 -4.660457 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=179) 0 8.344281 -1.933476 -5.662146 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=179) 0 7.558581 -2.165101 -6.377812 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=179) 0 9.308216 -2.096676 -6.136353 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=179) 0 8.278046 -2.627525 -4.830097 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=179) 0 8.116156 0.432591 -6.457302 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=179) 0 7.153588 0.265081 -6.940656 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=179) 0 8.157958 1.475502 -6.146274 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=179) 0 9.219954 0.212161 -7.503235 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=179) 0 9.146055 -0.780383 -7.945301 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=179) 0 9.106338 0.932362 -8.309020 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=179) 0 10.197096 0.342329 -7.040984 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=179) 0 7.020367 -1.155565 -3.002713 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=179) 0 8.042933 -1.688863 -2.587958 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=180) 0 5.838624 -1.370665 -2.424294 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=180) 0 5.032111 -0.882634 -2.795080 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=180) 0 5.604055 -2.376352 -1.375421 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=180) 0 6.317414 -2.215239 -0.564391 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=180) 0 4.184798 -2.129670 -0.846247 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=180) 0 4.148717 -1.106228 -0.476361 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=180) 0 3.473996 -2.203157 -1.668712 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=180) 0 3.737554 -3.073038 0.270874 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=180) 0 4.069512 -2.804982 1.447889 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=180) 0 2.962699 -4.012636 -0.018543 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=180) 0 5.801581 -3.821087 -1.890453 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=180) 0 5.896430 -4.767416 -1.109320 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=181) 0 5.888020 -3.997699 -3.212228 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=181) 0 5.774120 -3.173356 -3.790713 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=181) 0 6.161245 -5.250080 -3.924939 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=181) 0 5.711613 -6.047993 -3.352485 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=181) 0 5.416433 -5.287030 -5.275466 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=181) 0 5.754623 -6.152770 -5.846049 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=181) 0 4.358431 -5.448650 -5.063900 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=181) 0 5.512416 -4.028033 -6.144950 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=181) 0 5.149034 -2.922040 -5.672760 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=181) 0 5.818245 -4.159950 -7.352660 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=181) 0 7.651942 -5.646450 -3.958728 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=181) 0 8.024802 -6.645350 -4.580452 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=182) 0 8.495774 -4.925577 -3.217274 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=182) 0 8.116711 -4.122371 -2.724757 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=182) 0 9.877566 -5.278525 -2.867854 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=182) 0 10.057903 -6.323866 -3.106291 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=182) 0 10.860238 -4.411797 -3.696810 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=182) 0 10.606827 -3.365223 -3.538508 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=182) 0 12.311982 -4.624194 -3.246218 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=182) 0 12.573379 -5.674878 -3.348252 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=182) 0 12.985711 -4.027174 -3.851739 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=182) 0 12.442060 -4.300619 -2.215119 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=182) 0 10.741806 -4.715986 -5.209207 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=182) 0 10.999351 -5.761501 -5.376347 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=182) 0 9.709990 -4.573054 -5.525443 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=182) 0 11.611814 -3.834846 -6.121073 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=182) 0 12.658608 -4.125212 -6.051068 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=182) 0 11.290341 -3.958558 -7.155553 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=182) 0 11.509928 -2.786661 -5.840065 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=182) 0 10.048306 -5.068916 -1.345224 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=182) 0 9.490054 -4.107741 -0.814801 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=183) 0 10.824694 -5.893130 -0.611727 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=183) 0 11.303732 -7.216677 -0.939498 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=183) 0 12.314647 -7.140006 -1.333939 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=183) 0 10.651945 -7.730053 -1.639918 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=183) 0 11.330743 -7.955128 0.397292 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=183) 0 12.024732 -8.793027 0.391939 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=183) 0 10.325882 -8.285910 0.662745 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=183) 0 11.792632 -6.870798 1.362889 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=183) 0 12.883303 -6.843827 1.371306 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=183) 0 11.415642 -7.047533 2.370219 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=183) 0 11.211905 -5.584151 0.759032 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=183) 0 10.322716 -5.301935 1.323348 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=183) 0 12.224401 -4.438660 0.761429 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=183) 0 13.339577 -4.573242 0.245377 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=184) 0 11.836945 -3.318491 1.361606 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=184) 0 10.910307 -3.297498 1.769589 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=184) 0 12.724233 -2.191467 1.626439 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=184) 0 13.616855 -2.286841 1.015678 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=184) 0 12.056043 -0.866729 1.240755 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=184) 0 11.022312 -0.879513 1.580858 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=184) 0 12.560920 -0.061614 1.775888 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=184) 0 12.071278 -0.522943 -0.237429 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=184) 0 11.169385 -1.136014 -1.121960 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=184) 0 10.480453 -1.884852 -0.763571 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=184) 0 11.117306 -0.732183 -2.465644 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=184) 0 10.404827 -1.191516 -3.129999 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=184) 0 11.942875 0.302372 -2.929672 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=184) 0 11.844119 0.646353 -3.946227 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=184) 0 12.858241 0.910599 -2.056665 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=184) 0 13.485391 1.718895 -2.403264 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=184) 0 12.919815 0.492509 -0.716286 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=184) 0 13.582078 0.992684 -0.035593 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=184) 0 13.143538 -2.195841 3.099087 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=184) 0 12.318375 -2.417013 3.984103 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=185) 0 14.409859 -1.889514 3.370985 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=185) 0 15.045775 -1.790637 2.585498 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=185) 0 14.936800 -1.619784 4.709437 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=185) 0 14.129328 -1.655735 5.435079 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=185) 0 15.665718 -2.382512 4.973609 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=185) 0 15.620347 -0.255803 4.790475 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=185) 0 16.090747 0.256107 3.779320 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=186) 0 15.712213 0.340286 5.976450 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=186) 0 15.288107 -0.117631 6.779854 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=186) 0 16.478681 1.572619 6.220677 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=186) 0 17.147850 1.722601 5.376104 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=186) 0 15.553159 2.808913 6.292952 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=186) 0 14.913705 2.783406 5.415189 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=186) 0 14.628009 2.789360 7.521440 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=186) 0 15.200211 2.930518 8.439015 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=186) 0 13.888479 3.585042 7.444416 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=186) 0 14.093238 1.841519 7.575175 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=186) 0 16.377040 4.111703 6.202979 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=186) 0 16.966039 4.244564 7.111404 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=186) 0 17.062853 4.036176 5.357969 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=186) 0 15.514037 5.360717 5.991913 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=186) 0 14.911101 5.556188 6.877432 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=186) 0 16.160388 6.218221 5.804521 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=186) 0 14.853712 5.220449 5.138705 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=186) 0 17.358243 1.418353 7.459804 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=186) 0 16.940078 0.811236 8.442268 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=187) 0 18.575020 1.957080 7.431239 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=187) 0 18.900473 2.389717 6.570761 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=187) 0 19.493236 1.926976 8.573599 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=187) 0 18.903942 1.767330 9.474257 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=187) 0 20.472378 0.749425 8.462950 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=187) 0 19.898277 -0.158509 8.289154 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=187) 0 21.494351 0.874841 7.333019 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=187) 0 22.245954 1.624309 7.579642 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=187) 0 21.977442 -0.084962 7.174558 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=187) 0 20.994738 1.150415 6.406190 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=187) 0 21.161946 0.607381 9.683010 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=187) 0 20.558944 0.118445 10.271819 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=187) 0 20.238454 3.243595 8.755065 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=187) 0 20.706076 3.842363 7.784696 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=188) 0 20.390845 3.658785 10.013377 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=188) 0 19.917605 3.138501 10.746402 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=188) 0 21.255391 4.768327 10.429848 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=188) 0 21.670897 5.226809 9.534875 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=188) 0 20.438394 5.860335 11.136196 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=188) 0 21.087308 6.709085 11.350571 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=188) 0 19.642543 6.198791 10.471290 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=188) 0 19.858259 5.409268 12.348808 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=188) 0 19.477171 6.214582 12.782943 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=188) 0 22.472682 4.311084 11.246634 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=188) 0 23.166822 5.143925 11.829575 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=189) 0 22.753180 3.000471 11.305524 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=189) 0 22.170473 2.356268 10.784334 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=189) 0 23.900791 2.447751 12.029820 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=189) 0 24.303585 3.217481 12.691380 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=189) 0 23.449550 1.284354 12.930978 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=189) 0 22.694617 1.640744 13.627290 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=189) 0 23.014608 0.492739 12.323458 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=189) 0 24.608429 0.723994 13.740158 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=189) 0 25.653799 1.340860 13.870721 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=189) 0 24.500703 -0.463415 14.278578 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=189) 0 25.348773 -0.829451 14.716586 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=189) 0 23.684421 -1.041049 14.114892 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=189) 0 25.032128 2.035420 11.073399 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=189) 0 24.845629 1.193421 10.191019 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=190) 0 26.236841 2.570598 11.285495 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=190) 0 26.376006 3.168799 12.087994 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=190) 0 27.388647 2.302018 10.423055 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=190) 0 27.034265 2.407337 9.401805 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=190) 0 28.471668 3.362936 10.597922 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=190) 0 29.263777 3.173999 9.873333 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=190) 0 28.052062 4.350687 10.400670 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=190) 0 29.013595 3.334876 11.900858 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=190) 0 29.967312 3.534400 11.796521 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=190) 0 27.961716 0.880497 10.533200 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=190) 0 28.693790 0.466893 9.634211 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=191) 0 27.567585 0.067298 11.522203 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=191) 0 27.031428 0.459193 12.288276 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=191) 0 27.802782 -1.390235 11.478825 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=191) 0 28.874181 -1.592920 11.484081 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=191) 0 27.151424 -2.083696 12.684506 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=191) 0 26.102280 -1.797485 12.731070 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=191) 0 27.171784 -3.161270 12.527996 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=191) 0 27.838573 -1.801069 14.016297 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=191) 0 29.027177 -2.167393 14.180854 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=191) 0 27.162385 -1.266569 14.923695 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=191) 0 27.195262 -2.016995 10.210520 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=191) 0 27.809661 -2.854665 9.544004 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=192) 0 25.983464 -1.584719 9.851296 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=192) 0 25.558315 -0.844726 10.398675 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=192) 0 25.215987 -2.133554 8.726495 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=192) 0 25.343948 -3.216460 8.724541 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=192) 0 23.711495 -1.833794 8.883654 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=192) 0 23.529859 -0.795057 8.617131 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=192) 0 22.875300 -2.750405 7.982369 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=192) 0 23.002169 -3.788003 8.288467 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=192) 0 21.821221 -2.482751 8.062979 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=192) 0 23.179639 -2.648963 6.943946 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=192) 0 23.225037 -2.056843 10.321469 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=192) 0 23.619566 -1.281477 10.974704 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=192) 0 22.136507 -2.010477 10.364489 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=192) 0 23.566270 -3.026781 10.672969 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=192) 0 25.764020 -1.605260 7.400340 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=192) 0 25.892427 -2.369387 6.448402 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=193) 0 26.194827 -0.337476 7.361618 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=193) 0 26.058673 0.226220 8.189137 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=193) 0 26.996300 0.215986 6.259711 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=193) 0 26.419272 0.216083 5.334220 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=193) 0 27.439635 1.650432 6.593168 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=193) 0 27.870893 1.666252 7.587693 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=193) 0 28.265950 1.879163 5.931887 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=193) 0 26.456684 2.804552 6.486934 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=193) 0 26.811125 3.923109 5.705621 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=193) 0 27.714628 3.910949 5.109995 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=193) 0 26.020561 5.082891 5.727274 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=193) 0 26.308231 5.947530 5.147311 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=193) 0 24.856516 5.125108 6.508567 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=193) 0 24.252333 6.019603 6.509972 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=193) 0 24.474839 4.003785 7.264958 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=193) 0 23.568966 4.033825 7.856062 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=193) 0 25.278025 2.848577 7.259267 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=193) 0 24.986278 2.005428 7.862755 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=193) 0 28.272484 -0.618015 6.028137 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=193) 0 28.577003 -1.005107 4.898034 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=194) 0 29.004825 -0.923725 7.107078 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=194) 0 28.695183 -0.564369 8.002104 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=194) 0 30.294801 -1.627507 7.056039 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=194) 0 30.971939 -1.077792 6.400304 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=194) 0 30.939443 -1.715139 8.442813 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=194) 0 30.326227 -2.352695 9.080798 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=194) 0 31.924810 -2.174343 8.343646 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=194) 0 31.087703 -0.445922 9.060224 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=194) 0 30.188798 -0.108673 9.269913 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=194) 0 30.161207 -3.048573 6.507533 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=194) 0 31.038515 -3.500010 5.772467 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=195) 0 29.049339 -3.748052 6.785182 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=195) 0 28.374542 -3.339298 7.424017 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=195) 0 28.770286 -5.081135 6.214677 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=195) 0 29.581241 -5.751953 6.503502 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=195) 0 27.458436 -5.625575 6.810459 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=195) 0 27.540626 -5.614939 7.899006 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=195) 0 26.624112 -4.985903 6.518173 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=195) 0 27.179774 -7.064944 6.345201 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=195) 0 26.916872 -7.059362 5.287076 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=195) 0 28.082076 -7.663926 6.479629 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=195) 0 26.039966 -7.719432 7.129057 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=195) 0 26.314770 -7.764005 8.184853 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=195) 0 25.127271 -7.131652 7.014150 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=195) 0 25.809881 -9.137560 6.596122 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=195) 0 25.409947 -9.077523 5.579389 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=195) 0 26.766791 -9.664883 6.554308 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=195) 0 24.877446 -9.880668 7.466186 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=195) 0 23.987656 -9.402597 7.559652 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=195) 0 24.698793 -10.829193 7.138337 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=195) 0 25.242186 -9.977923 8.412321 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=195) 0 28.749021 -5.078921 4.677701 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=195) 0 29.063293 -6.095686 4.060186 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=196) 0 28.455013 -3.933263 4.060425 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=196) 0 28.215748 -3.137289 4.637771 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=196) 0 28.390018 -3.757082 2.607065 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=196) 0 28.637204 -4.710128 2.139834 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=196) 0 26.937781 -3.446577 2.206617 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=196) 0 26.659451 -2.468130 2.601755 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=196) 0 26.861911 -3.404226 1.119836 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=196) 0 25.966594 -4.500697 2.717256 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=196) 0 26.014756 -5.809645 2.198054 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=196) 0 26.698709 -6.049810 1.395550 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=196) 0 25.209680 -6.822547 2.754554 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=196) 0 25.269344 -7.829871 2.371692 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=196) 0 24.346540 -6.530442 3.832991 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=196) 0 23.610749 -7.517348 4.410275 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=196) 0 23.773358 -8.378603 3.978491 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=196) 0 24.284762 -5.215623 4.340429 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=196) 0 23.632867 -4.998467 5.172237 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=196) 0 25.096590 -4.206718 3.785007 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=196) 0 25.080413 -3.210911 4.203998 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=196) 0 29.445719 -2.776432 2.061222 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=196) 0 29.303823 -2.293933 0.935607 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=197) 0 30.536503 -2.545882 2.806410 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=197) 0 30.591486 -2.996822 3.712561 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=197) 0 31.676517 -1.690893 2.427605 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=197) 0 32.350174 -1.684640 3.284676 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=197) 0 32.460996 -2.301403 1.242249 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=197) 0 31.821068 -2.336621 0.360757 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=197) 0 33.299924 -1.649091 0.999384 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=197) 0 33.020262 -3.707647 1.495848 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=197) 0 32.206744 -4.395665 1.717039 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=197) 0 33.515649 -4.050273 0.590275 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=197) 0 34.029108 -3.733477 2.634326 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=197) 0 33.844744 -4.389241 3.649604 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=197) 0 35.121337 -3.020339 2.529851 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=197) 0 35.780993 -3.034570 3.294987 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=197) 0 35.330776 -2.523161 1.670465 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=197) 0 31.329087 -0.205426 2.198591 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=197) 0 31.976910 0.467447 1.395377 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=198) 0 30.302727 0.327496 2.868301 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=198) 0 29.801626 -0.243783 3.539317 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=198) 0 29.850848 1.704885 2.649929 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=198) 0 30.132710 2.006134 1.641566 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=198) 0 28.314956 1.781308 2.710955 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=198) 0 28.000363 1.595084 3.734007 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=198) 0 28.013814 2.797012 2.450109 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=198) 0 27.562794 0.791344 1.802103 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=198) 0 27.782564 -0.227790 2.117525 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=198) 0 26.064791 1.018352 1.972207 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=198) 0 25.786474 2.008435 1.609778 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=198) 0 25.511310 0.260139 1.423827 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=198) 0 25.804670 0.935035 3.025192 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=198) 0 27.912783 0.933528 0.319725 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=198) 0 28.957748 0.671508 0.157316 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=198) 0 27.289379 0.265463 -0.273414 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=198) 0 27.742966 1.959039 -0.005846 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=198) 0 30.527998 2.689598 3.618843 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=198) 0 30.258560 2.690984 4.819032 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=199) 0 31.365961 3.583082 3.094821 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=199) 0 31.580626 3.510814 2.108130 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=199) 0 31.903362 4.738877 3.833631 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=199) 0 32.108079 4.437034 4.862322 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=199) 0 33.232144 5.177274 3.197349 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=199) 0 33.761320 5.813451 3.908518 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=199) 0 33.853572 4.300441 3.011380 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=199) 0 33.036034 5.951479 1.889583 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=199) 0 32.576130 5.344758 0.892110 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=199) 0 33.341968 7.166233 1.850517 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=199) 0 30.922912 5.927712 3.874251 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=199) 0 31.060344 6.832934 4.699181 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=200) 0 29.948958 5.933588 2.960578 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=200) 0 29.895075 5.117706 2.361810 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=200) 0 29.125381 7.080422 2.563195 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=200) 0 29.263424 7.905918 3.262936 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=200) 0 29.624048 7.504205 1.169211 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=200) 0 30.679988 7.765176 1.244084 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=200) 0 29.549548 6.637398 0.517891 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=200) 0 28.894537 8.680942 0.504001 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=200) 0 27.818565 8.569605 0.595286 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=200) 0 29.180349 9.603186 1.010703 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=200) 0 29.247985 8.789840 -0.989951 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=200) 0 28.822341 9.708644 -1.381608 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=200) 0 30.328596 8.870830 -1.094004 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=200) 0 28.760803 7.617559 -1.858551 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=200) 0 29.126886 7.771947 -2.878288 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=200) 0 29.203071 6.684894 -1.497596 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=200) 0 27.282116 7.511297 -1.877827 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=200) 0 26.870900 8.394862 -2.170716 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=200) 0 26.985127 6.781236 -2.520818 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=200) 0 26.907549 7.295398 -0.957964 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=200) 0 27.648995 6.689090 2.546588 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=200) 0 27.313216 5.555039 2.203746 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=201) 0 26.769326 7.632923 2.863527 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=201) 0 27.107917 8.533319 3.171897 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=201) 0 25.317985 7.451953 2.767033 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=201) 0 25.038935 6.600193 3.386690 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=201) 0 24.610953 8.693356 3.321245 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=201) 0 24.842753 9.547611 2.682908 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=201) 0 23.534025 8.532890 3.288129 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=201) 0 25.026386 9.015367 4.756655 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=201) 0 24.332549 8.604133 5.711624 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=201) 0 26.011982 9.766331 4.940568 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=201) 0 24.849853 7.152710 1.326862 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=201) 0 25.466112 7.578904 0.339317 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=202) 0 23.746360 6.419591 1.185801 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=202) 0 23.244034 6.128432 2.023572 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=202) 0 23.219333 6.000028 -0.113254 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=202) 0 22.727480 6.842739 -0.595434 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=202) 0 24.045444 5.672865 -0.745552 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=202) 0 22.203322 4.868696 -0.020656 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=202) 0 21.565541 4.662570 1.005765 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=203) 0 22.034515 4.127190 -1.113374 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=203) 0 22.628607 4.297650 -1.911714 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=203) 0 21.080000 3.013180 -1.216188 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=203) 0 20.820997 2.668694 -0.216000 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=203) 0 19.777752 3.457280 -1.921764 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=203) 0 20.000301 3.746230 -2.945036 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=203) 0 18.731817 2.341206 -1.962258 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=203) 0 18.506735 2.009105 -0.949731 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=203) 0 17.818591 2.703770 -2.427945 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=203) 0 19.093734 1.502085 -2.553423 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=203) 0 19.140147 4.666746 -1.228055 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=203) 0 19.779536 5.538444 -1.352524 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=203) 0 18.175953 4.899265 -1.669904 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=203) 0 19.002863 4.458518 -0.168545 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=203) 0 21.746293 1.847929 -1.941193 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=203) 0 22.549904 2.061998 -2.847912 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=204) 0 21.411576 0.617090 -1.560185 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=204) 0 20.762388 0.511795 -0.784507 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=204) 0 21.879071 -0.603920 -2.222595 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=204) 0 22.368845 -0.329872 -3.153916 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=204) 0 22.915705 -1.351523 -1.366871 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=204) 0 22.440622 -1.705193 -0.456244 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=204) 0 23.470121 -2.566744 -2.103518 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=204) 0 23.956741 -2.251698 -3.026354 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=204) 0 24.190110 -3.072700 -1.461167 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=204) 0 22.669492 -3.270170 -2.331198 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=204) 0 24.111258 -0.464848 -0.994588 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=204) 0 23.787306 0.359264 -0.360197 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=204) 0 24.850089 -1.048854 -0.446851 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=204) 0 24.572716 -0.058201 -1.894888 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=204) 0 20.688497 -1.497289 -2.559098 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=204) 0 19.880111 -1.824982 -1.690998 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=205) 0 20.591037 -1.901338 -3.824261 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=205) 0 21.337951 -1.626450 -4.454847 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=205) 0 19.630865 -2.883289 -4.321567 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=205) 0 18.787734 -2.941716 -3.631957 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=205) 0 19.080328 -2.402195 -5.674616 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=205) 0 18.520225 -1.494573 -5.457843 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=205) 0 19.904361 -2.126175 -6.331064 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=205) 0 18.142047 -3.366963 -6.428694 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=205) 0 17.491752 -3.882265 -5.722510 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=205) 0 17.273214 -2.536290 -7.374196 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=205) 0 17.898705 -1.976660 -8.069080 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=205) 0 16.597984 -3.182601 -7.927256 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=205) 0 16.680175 -1.833488 -6.791968 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=205) 0 18.888130 -4.396930 -7.286767 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=205) 0 19.422772 -5.104758 -6.659710 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=205) 0 18.180300 -4.967301 -7.883446 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=205) 0 19.589075 -3.896741 -7.952778 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=205) 0 20.295702 -4.256916 -4.356386 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=205) 0 21.361274 -4.434532 -4.946445 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=206) 0 19.643151 -5.231578 -3.743098 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=206) 0 18.721309 -5.024365 -3.373762 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=206) 0 20.067221 -6.620161 -3.670720 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=206) 0 21.074114 -6.714598 -4.073219 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=206) 0 20.095908 -7.079050 -2.210154 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=206) 0 19.087025 -7.009499 -1.800779 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=206) 0 20.383137 -8.130845 -2.193348 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=206) 0 21.042741 -6.308918 -1.307964 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=206) 0 20.624678 -5.109454 -0.698676 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=206) 0 19.637779 -4.715177 -0.895765 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=206) 0 21.484334 -4.425675 0.177941 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=206) 0 21.157978 -3.507506 0.641768 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=206) 0 22.764027 -4.938031 0.452302 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=206) 0 23.420828 -4.419531 1.137482 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=206) 0 23.187283 -6.129497 -0.161849 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=206) 0 24.167972 -6.527578 0.054285 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=206) 0 22.330390 -6.812696 -1.043115 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=206) 0 22.656123 -7.736027 -1.501262 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=206) 0 19.132058 -7.498987 -4.501715 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=206) 0 17.954808 -7.185889 -4.684389 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=207) 0 19.661456 -8.608541 -5.007727 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=207) 0 20.649762 -8.778686 -4.851497 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=207) 0 18.898410 -9.649146 -5.702845 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=207) 0 17.965351 -9.805901 -5.159629 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=207) 0 18.566485 -9.199296 -7.138387 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=207) 0 18.073542 -10.018572 -7.662942 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=207) 0 17.866321 -8.364279 -7.097924 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=207) 0 19.806666 -8.758476 -7.926002 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=207) 0 20.193901 -7.824944 -7.514313 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=207) 0 20.572136 -9.525087 -7.846701 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=207) 0 19.469432 -8.554636 -9.399719 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=207) 0 19.150293 -9.505168 -9.819197 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=207) 0 18.674443 -7.816309 -9.498131 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=207) 0 20.718074 -8.076024 -10.130183 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=207) 0 21.064127 -7.145438 -9.674002 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=207) 0 21.515845 -8.814212 -10.006051 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=207) 0 20.465583 -7.848120 -11.564491 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=207) 0 19.742320 -7.151718 -11.705986 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=207) 0 21.309680 -7.482261 -11.994320 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=207) 0 20.284906 -8.713055 -12.074749 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=207) 0 19.643410 -10.980753 -5.682284 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=207) 0 20.837432 -11.020485 -5.383936 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=208) 0 18.963411 -12.073157 -6.022489 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=208) 0 17.971573 -11.948697 -6.211964 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=208) 0 19.513932 -13.443459 -5.956324 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=208) 0 20.359307 -13.431359 -5.265201 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=208) 0 18.469860 -14.387199 -5.337856 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=208) 0 17.591949 -14.449136 -5.983948 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=208) 0 18.903449 -15.382166 -5.244430 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=208) 0 18.056408 -13.887156 -3.942586 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=208) 0 18.946361 -13.654917 -3.355998 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=208) 0 17.468102 -12.975753 -4.046091 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=208) 0 17.231296 -14.927282 -3.187750 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=208) 0 16.406489 -15.266125 -3.817019 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=208) 0 17.865775 -15.777468 -2.933763 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=208) 0 16.674381 -14.296703 -1.913014 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=208) 0 17.497004 -13.895762 -1.315001 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=208) 0 16.022850 -13.469399 -2.196814 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=208) 0 15.911338 -15.287291 -1.131184 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=208) 0 16.544387 -15.930790 -0.662646 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=208) 0 15.351462 -14.835728 -0.417274 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=208) 0 15.275170 -15.809128 -1.734252 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=208) 0 20.127944 -13.946295 -7.274757 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=208) 0 20.267845 -15.152510 -7.480866 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=209) 0 20.477494 -13.025900 -8.172453 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=209) 0 20.395447 -12.057090 -7.909964 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=209) 0 21.006776 -13.293115 -9.511958 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=209) 0 21.642159 -14.178445 -9.464467 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=209) 0 19.838800 -13.593839 -10.473325 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=209) 0 20.235739 -13.741572 -11.478100 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=209) 0 19.391400 -14.543137 -10.176706 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=209) 0 18.727750 -12.556032 -10.526866 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=209) 0 18.684874 -11.612257 -11.570526 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=209) 0 19.446692 -11.617004 -12.337528 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=209) 0 17.635757 -10.676840 -11.635153 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=209) 0 17.601081 -9.970555 -12.451222 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=209) 0 16.631197 -10.673542 -10.648982 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=209) 0 15.814163 -9.967665 -10.699214 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=209) 0 16.665620 -11.618740 -9.610664 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=209) 0 15.879436 -11.635502 -8.867414 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=209) 0 17.703193 -12.565289 -9.558329 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=209) 0 17.698569 -13.315774 -8.781430 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=209) 0 21.891681 -12.134176 -10.009863 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=209) 0 21.883873 -11.043885 -9.438086 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=210) 0 22.654900 -12.375495 -11.078532 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=210) 0 22.588199 -13.294706 -11.493117 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=210) 0 23.708775 -11.498158 -11.620234 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=210) 0 24.229897 -12.055892 -12.398029 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=210) 0 23.100109 -10.264978 -12.318127 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=210) 0 22.709587 -9.585944 -11.562081 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=210) 0 23.889243 -9.741571 -12.859487 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=210) 0 21.987244 -10.610729 -13.312143 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=210) 0 21.005967 -9.829192 -13.376479 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=210) 0 22.106284 -11.649621 -14.009283 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=210) 0 24.780655 -11.185307 -10.557410 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=210) 0 25.123820 -12.066552 -9.762701 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=211) 0 25.327528 -9.967286 -10.503910 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=211) 0 25.058711 -9.285620 -11.203338 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=211) 0 26.257444 -9.542085 -9.438712 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=211) 0 27.107464 -10.225929 -9.439446 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=211) 0 26.812353 -8.137192 -9.746628 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=211) 0 27.687296 -7.979552 -9.114855 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=211) 0 27.151671 -8.108106 -10.781710 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=211) 0 25.847857 -6.964566 -9.500114 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=211) 0 25.591514 -6.942957 -8.442428 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=211) 0 26.363900 -6.031963 -9.735508 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=211) 0 24.568461 -7.050398 -10.332163 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=211) 0 24.649019 -6.932198 -11.577952 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=211) 0 23.484932 -7.283333 -9.750507 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=211) 0 25.632296 -9.604816 -8.027382 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=211) 0 26.339920 -9.736281 -7.025534 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=212) 0 24.299749 -9.538145 -7.940433 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=212) 0 23.787701 -9.391322 -8.804163 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=212) 0 23.511617 -9.711990 -6.719702 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=212) 0 22.511508 -10.028961 -7.000727 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=212) 0 23.955334 -10.506075 -6.120358 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=212) 0 23.398496 -8.469805 -5.833017 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=212) 0 22.601829 -8.467735 -4.889548 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=213) 0 24.172734 -7.412839 -6.103386 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=213) 0 24.792752 -7.477645 -6.902448 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=213) 0 24.245172 -6.201272 -5.276658 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=213) 0 23.260102 -6.010525 -4.851908 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=213) 0 25.227234 -6.467533 -4.125107 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=213) 0 24.921915 -7.382620 -3.614971 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=213) 0 26.228324 -6.617279 -4.530015 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=213) 0 25.233950 -5.342176 -3.087162 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=213) 0 24.265929 -4.849751 -3.116877 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=213) 0 25.345465 -5.774970 -2.092222 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=213) 0 26.350353 -4.310671 -3.306024 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=213) 0 26.570476 -4.199159 -4.368927 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=213) 0 25.992137 -3.353130 -2.935976 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=213) 0 27.570210 -4.704383 -2.579367 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=213) 0 27.857372 -5.676498 -2.671812 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=213) 0 28.246742 -3.966942 -1.720550 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=213) 0 28.035990 -2.689279 -1.561806 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=213) 0 27.382257 -2.202068 -2.170261 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=213) 0 28.492675 -2.209600 -0.794782 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=213) 0 29.158377 -4.499771 -0.961851 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=213) 0 29.335670 -5.503038 -0.975107 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=213) 0 29.656975 -3.898413 -0.327674 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=213) 0 24.656872 -4.981936 -6.103210 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=213) 0 25.674417 -5.004865 -6.781098 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=214) 0 23.871894 -3.912572 -6.020303 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=214) 0 23.062576 -3.974660 -5.413819 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=214) 0 23.948441 -2.739011 -6.888839 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=214) 0 24.880340 -2.750725 -7.460078 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=214) 0 22.754974 -2.781024 -7.864139 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=214) 0 21.825966 -2.842705 -7.302421 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=214) 0 22.732763 -1.860675 -8.447963 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=214) 0 22.828937 -3.949988 -8.824577 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=214) 0 23.318959 -3.821239 -9.934116 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=214) 0 22.360722 -5.111515 -8.436282 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=214) 0 22.642129 -5.918618 -9.001228 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=214) 0 21.992334 -5.219134 -7.509541 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=214) 0 23.915019 -1.466052 -6.037343 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=214) 0 22.953597 -1.252584 -5.300110 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=215) 0 24.939311 -0.620922 -6.130422 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=215) 0 25.677012 -0.814863 -6.802345 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=215) 0 25.062935 0.599523 -5.331049 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=215) 0 24.534862 0.480507 -4.382163 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=215) 0 26.548992 0.828303 -5.034810 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=215) 0 27.073266 0.854127 -5.988018 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=215) 0 26.668318 1.800633 -4.563020 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=215) 0 27.233072 -0.202309 -4.147821 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=215) 0 26.641315 -1.018992 -3.453603 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=215) 0 28.544350 -0.186345 -4.142584 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=215) 0 29.032895 -0.846319 -3.569859 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=215) 0 29.025179 0.484021 -4.725227 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=215) 0 24.459056 1.805459 -6.077645 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=215) 0 24.743003 2.012720 -7.259963 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=216) 0 23.645837 2.617810 -5.401585 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=216) 0 23.447587 2.399482 -4.430309 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=216) 0 22.884535 3.713939 -6.011851 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=216) 0 22.365736 3.315908 -6.884154 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=216) 0 21.821515 4.195354 -5.022761 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=216) 0 21.164713 3.354725 -4.799881 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=216) 0 22.307074 4.509043 -4.097770 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=216) 0 20.984368 5.340527 -5.546328 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=216) 0 19.847378 5.073025 -6.323246 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=216) 0 19.555674 4.052727 -6.491391 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=216) 0 19.095965 6.123308 -6.875112 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=216) 0 18.222495 5.911128 -7.471023 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=216) 0 19.487779 7.450509 -6.647930 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=216) 0 18.923707 8.270254 -7.064453 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=216) 0 20.624485 7.718780 -5.872257 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=216) 0 20.924844 8.738626 -5.705158 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=216) 0 21.373191 6.670878 -5.316554 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=216) 0 22.255209 6.892872 -4.732257 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=216) 0 23.750984 4.885908 -6.496459 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=216) 0 24.660132 5.340160 -5.798105 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=217) 0 23.413833 5.422550 -7.669284 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=217) 0 22.597599 5.057352 -8.143572 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=217) 0 24.204207 6.411416 -8.409653 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=217) 0 25.177285 6.534714 -7.934377 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=217) 0 24.438612 5.885593 -9.833463 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=217) 0 23.470635 5.680653 -10.285997 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=217) 0 24.929485 6.656341 -10.427256 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=217) 0 25.288312 4.608923 -9.881369 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=217) 0 26.341339 4.885591 -9.819751 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=217) 0 25.059628 3.972944 -9.027293 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=217) 0 25.027874 3.810382 -11.160330 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=217) 0 25.172617 4.385546 -12.262908 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=217) 0 24.691163 2.605689 -11.053992 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=217) 0 23.518014 7.786462 -8.468401 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=217) 0 22.353193 7.898032 -8.874363 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=218) 0 24.260633 8.837439 -8.119526 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=218) 0 25.180829 8.669661 -7.731009 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=218) 0 23.800368 10.224800 -8.186991 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=218) 0 24.660534 10.893862 -8.181777 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=218) 0 23.268766 10.368835 -9.125741 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=218) 0 22.879020 10.631874 -7.037576 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=218) 0 22.935339 10.068408 -5.945030 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=219) 0 22.034348 11.632769 -7.269811 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=219) 0 21.996751 12.026619 -8.204296 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=219) 0 21.163115 12.214071 -6.246932 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=219) 0 21.763800 12.374053 -5.351749 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=219) 0 20.677438 13.583717 -6.718564 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=219) 0 21.560121 14.185382 -6.929516 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=219) 0 20.099498 13.466034 -7.636114 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=219) 0 19.817223 14.312371 -5.678782 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=219) 0 18.788530 13.955157 -5.741876 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=219) 0 20.192665 14.079870 -4.679852 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=219) 0 19.858173 15.830324 -5.880097 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=219) 0 19.924593 16.306422 -7.041184 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=219) 0 19.900824 16.552027 -4.853140 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=219) 0 19.989469 11.300084 -5.879100 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=219) 0 19.226382 10.849408 -6.740276 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=220) 0 19.824655 11.042201 -4.580161 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=220) 0 20.474374 11.465433 -3.921765 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=220) 0 18.769871 10.162552 -4.063590 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=220) 0 18.707342 9.279004 -4.696200 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=220) 0 19.076480 9.689597 -2.631768 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=220) 0 19.037982 10.551784 -1.975339 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=220) 0 18.040863 8.660885 -2.167154 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=220) 0 18.109785 7.769915 -2.790137 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=220) 0 18.227515 8.392888 -1.129997 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=220) 0 17.033424 9.072581 -2.221383 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=220) 0 20.456576 9.038034 -2.484470 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=220) 0 21.238019 9.737863 -2.776307 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=220) 0 20.627453 8.763570 -1.444423 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=220) 0 20.521290 8.145875 -3.103363 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=220) 0 17.424892 10.884272 -4.114018 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=220) 0 17.134966 11.728447 -3.266125 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=221) 0 16.581073 10.523297 -5.077933 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=221) 0 16.897046 9.859766 -5.768880 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=221) 0 15.179076 10.962025 -5.155212 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=221) 0 14.920955 11.426132 -4.212186 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=221) 0 14.915962 12.023278 -6.240686 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=221) 0 14.054699 12.594226 -5.905712 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=221) 0 16.060479 13.007334 -6.470504 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=221) 0 16.930565 12.490567 -6.871158 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=221) 0 15.746940 13.771068 -7.182083 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=221) 0 16.326586 13.485323 -5.528204 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=221) 0 14.570094 11.454919 -7.482291 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=221) 0 13.699419 11.851011 -7.700536 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=221) 0 14.255354 9.762379 -5.336540 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=221) 0 14.708353 8.716759 -5.805999 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=222) 0 12.960543 9.894169 -5.015320 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=222) 0 12.653145 10.758852 -4.577513 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=222) 0 11.951613 8.865056 -5.317963 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=222) 0 12.176427 7.972315 -4.738308 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=222) 0 10.551098 9.371974 -4.924558 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=222) 0 10.529589 9.530342 -3.846064 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=222) 0 10.362414 10.329157 -5.415645 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=222) 0 9.438146 8.380379 -5.319001 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=222) 0 9.437104 8.253534 -6.401428 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=222) 0 9.628823 7.414689 -4.853936 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=222) 0 8.049813 8.877433 -4.906640 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=222) 0 7.975369 8.901914 -3.822198 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=222) 0 7.925722 9.885354 -5.294271 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=222) 0 6.951747 7.969143 -5.475311 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=222) 0 6.977522 8.032359 -6.566963 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=222) 0 7.172696 6.938473 -5.189907 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=222) 0 5.602583 8.346420 -4.984085 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=222) 0 5.401611 9.324465 -5.186222 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=222) 0 4.879525 7.763627 -5.408337 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=222) 0 5.523658 8.205521 -3.980331 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=222) 0 12.009196 8.464790 -6.791913 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=222) 0 12.065923 7.281789 -7.104287 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=223) 0 12.050370 9.445317 -7.687862 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=223) 0 12.073775 10.401053 -7.346668 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=223) 0 12.074821 9.231551 -9.135240 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=223) 0 11.212881 8.624130 -9.416595 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=223) 0 11.972841 10.576664 -9.874833 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=223) 0 12.885488 11.157500 -9.738542 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=223) 0 11.888589 10.352990 -10.936070 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=223) 0 10.749990 11.423193 -9.477514 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=223) 0 10.520667 12.084703 -10.311916 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=223) 0 9.889758 10.763074 -9.346332 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=223) 0 10.927991 12.289111 -8.216440 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=223) 0 12.009288 12.282700 -7.579442 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=223) 0 9.946679 12.975749 -7.831439 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=223) 0 13.332409 8.467016 -9.571297 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=223) 0 13.223184 7.427535 -10.225422 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=224) 0 14.512667 8.920008 -9.132933 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=224) 0 14.525716 9.768956 -8.575940 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=224) 0 15.790961 8.275703 -9.435905 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=224) 0 15.874797 8.147089 -10.517029 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=224) 0 16.938551 9.177805 -8.946592 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=224) 0 16.773901 9.449785 -7.904538 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=224) 0 17.870882 8.620005 -9.015967 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=224) 0 17.141741 10.440008 -9.762208 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=224) 0 16.700258 10.564629 -10.898416 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=224) 0 17.897808 11.377215 -9.241304 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=224) 0 18.060835 12.224978 -9.762915 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=224) 0 18.329529 11.231708 -8.331828 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=224) 0 15.908448 6.874408 -8.815645 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=224) 0 16.555586 6.007914 -9.397219 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=225) 0 15.291271 6.624082 -7.656530 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=225) 0 14.813716 7.391791 -7.193711 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=225) 0 15.260105 5.305360 -7.015890 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=225) 0 16.254811 4.873605 -7.056326 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=225) 0 14.840596 5.454189 -5.548896 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=225) 0 13.998579 6.144562 -5.494030 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=225) 0 14.500958 4.487404 -5.173641 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=225) 0 15.982419 5.949375 -4.650048 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=225) 0 16.490072 6.800674 -5.103146 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=225) 0 15.393795 6.366142 -3.308755 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=225) 0 14.806441 5.543507 -2.907867 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=225) 0 16.185062 6.616911 -2.607790 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=225) 0 14.751005 7.236617 -3.444997 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=225) 0 16.996336 4.836143 -4.379424 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=225) 0 17.352535 4.402984 -5.309172 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=225) 0 17.854177 5.255591 -3.857597 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=225) 0 16.536774 4.049294 -3.783908 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=225) 0 14.339659 4.326080 -7.742290 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=225) 0 14.716460 3.170956 -7.936050 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=226) 0 13.171801 4.787632 -8.191677 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=226) 0 12.910490 5.744771 -7.972765 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=226) 0 12.290427 4.004770 -9.053977 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=226) 0 12.067390 3.056200 -8.566137 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=226) 0 10.974898 4.777894 -9.268955 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=226) 0 11.227754 5.776166 -9.616696 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=226) 0 10.396003 4.285296 -10.051487 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=226) 0 10.083970 4.923373 -8.017770 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=226) 0 10.668900 5.284788 -7.177233 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=226) 0 8.953877 5.917010 -8.289122 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=226) 0 8.333505 5.558100 -9.112372 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=226) 0 8.337514 6.025459 -7.399062 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=226) 0 9.375557 6.885952 -8.555014 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=226) 0 9.451678 3.606196 -7.591537 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=226) 0 10.228751 2.893422 -7.325009 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=226) 0 8.820264 3.767667 -6.719353 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=226) 0 8.841877 3.211166 -8.404700 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=226) 0 13.002868 3.662524 -10.374842 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=226) 0 12.961778 2.511234 -10.798152 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=227) 0 13.728080 4.601471 -10.993304 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=227) 0 13.722072 5.545117 -10.616077 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=227) 0 14.555359 4.319152 -12.179392 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=227) 0 13.932866 3.846655 -12.938617 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=227) 0 15.111077 5.623872 -12.767964 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=227) 0 15.606888 6.198131 -11.984306 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=227) 0 15.855370 5.374675 -13.524498 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=227) 0 14.032212 6.473713 -13.435739 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=227) 0 13.262571 5.935672 -14.268500 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=227) 0 13.945669 7.688321 -13.147462 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=227) 0 15.698707 3.332912 -11.879826 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=227) 0 15.874584 2.347155 -12.590239 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=228) 0 16.442148 3.524140 -10.791085 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=228) 0 16.288720 4.370092 -10.251174 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=228) 0 17.487754 2.598495 -10.337692 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=228) 0 18.278844 2.563146 -11.086980 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=228) 0 18.066896 3.171723 -9.042234 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=228) 0 18.713286 4.010542 -9.299756 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=228) 0 17.248625 3.577968 -8.455310 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=228) 0 18.833246 2.226626 -8.141383 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=228) 0 20.157963 1.863234 -8.446597 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=228) 0 20.610917 2.178025 -9.376438 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=228) 0 20.909584 1.117434 -7.522036 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=228) 0 21.928431 0.839753 -7.752745 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=228) 0 20.352049 0.768780 -6.280766 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=228) 0 20.947695 0.237960 -5.555197 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=228) 0 19.023245 1.112941 -5.981814 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=228) 0 18.594509 0.841618 -5.027532 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=228) 0 18.256358 1.821401 -6.920967 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=228) 0 17.239223 2.101087 -6.681322 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=228) 0 16.971583 1.161201 -10.156499 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=228) 0 17.678117 0.215765 -10.506526 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=229) 0 15.728608 0.989372 -9.697489 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=229) 0 15.224942 1.817784 -9.393214 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=229) 0 15.031786 -0.303332 -9.639233 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=229) 0 15.692998 -1.030736 -9.169144 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=229) 0 13.776493 -0.150687 -8.743260 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=229) 0 13.257548 0.759609 -9.037387 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=229) 0 12.765539 -1.306178 -8.852438 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=229) 0 13.162167 -2.193587 -8.368439 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=229) 0 11.839981 -1.033492 -8.346377 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=229) 0 12.527497 -1.531144 -9.890921 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=229) 0 14.231446 -0.003626 -7.271828 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=229) 0 14.569778 -0.968916 -6.896510 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=229) 0 15.073640 0.684041 -7.207956 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=229) 0 13.145359 0.526035 -6.335824 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=229) 0 12.367308 -0.224210 -6.198395 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=229) 0 13.599920 0.747799 -5.370707 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=229) 0 12.711850 1.441178 -6.740159 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=229) 0 14.749472 -0.827245 -11.059638 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=229) 0 15.166615 -1.944921 -11.385907 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=230) 0 14.131089 -0.021018 -11.936715 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=230) 0 13.861663 0.907292 -11.618813 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=230) 0 13.871875 -0.373994 -13.352448 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=230) 0 13.165605 -1.204782 -13.399481 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=230) 0 13.267952 0.828651 -14.102946 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=230) 0 13.952865 1.670133 -14.019194 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=230) 0 13.193185 0.580179 -15.162726 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=230) 0 11.872331 1.254108 -13.614856 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=230) 0 11.148846 0.508431 -13.923563 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=230) 0 11.848089 1.290282 -12.531478 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=230) 0 11.461243 2.614823 -14.200920 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=230) 0 12.344297 3.124189 -14.582531 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=230) 0 10.773061 2.449080 -15.029869 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=230) 0 10.794813 3.528156 -13.167991 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=230) 0 9.791375 3.152948 -12.942349 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=230) 0 11.384670 3.502626 -12.251246 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=230) 0 10.726483 4.921324 -13.666765 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=230) 0 10.106110 4.992306 -14.469543 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=230) 0 10.419921 5.568251 -12.943418 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=230) 0 11.645597 5.257662 -13.955160 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=230) 0 15.137646 -0.825214 -14.095718 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=230) 0 15.051641 -1.703439 -14.951669 L N-N--0.415700(PDBName=N,ResName=HID,ResNum=231) 0 16.301891 -0.271698 -13.754171 L H-H-0.271900(PDBName=H,ResName=HID,ResNum=231) 0 16.255820 0.518007 -13.119258 L C-CT-0.018800(PDBName=CA,ResName=HID,ResNum=231) 0 17.577536 -0.526588 -14.433714 L H-H1-0.088100(PDBName=HA,ResName=HID,ResNum=231) 0 17.361266 -0.984663 -15.399819 L C-CT--0.046200(PDBName=CB,ResName=HID,ResNum=231) 0 18.254481 0.824656 -14.739673 L H-HC-0.040200(PDBName=HB2,ResName=HID,ResNum=231) 0 18.506992 1.318371 -13.800031 L H-HC-0.040200(PDBName=HB3,ResName=HID,ResNum=231) 0 19.180188 0.644999 -15.287273 L C-CC--0.026600(PDBName=CG,ResName=HID,ResNum=231) 0 17.400691 1.753119 -15.576297 L N-NA--0.381100(PDBName=ND1,ResName=HID,ResNum=231) 0 16.888771 1.483432 -16.823766 L H-H-0.364900(PDBName=HD1,ResName=HID,ResNum=231) 0 17.107568 0.672584 -17.399165 L C-CR-0.205700(PDBName=CE1,ResName=HID,ResNum=231) 0 16.145523 2.530713 -17.211973 L H-H5-0.139200(PDBName=HE1,ResName=HID,ResNum=231) 0 15.626955 2.600273 -18.160266 L N-NB--0.572700(PDBName=NE2,ResName=HID,ResNum=231) 0 16.156746 3.493433 -16.271164 L C-CV-0.129200(PDBName=CD2,ResName=HID,ResNum=231) 0 16.973691 3.009894 -15.239964 L H-H4-0.114700(PDBName=HD2,ResName=HID,ResNum=231) 0 17.218874 3.533519 -14.327725 L C-C-0.597300(PDBName=C,ResName=HID,ResNum=231) 0 18.518343 -1.524932 -13.716053 L O-O--0.567900(PDBName=O,ResName=HID,ResNum=231) 0 19.648479 -1.706448 -14.179036 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=232) 0 18.113491 -2.175769 -12.607355 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=232) 0 17.191841 -1.968342 -12.243782 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=232) 0 18.986447 -3.126663 -11.879101 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=232) 0 19.738442 -3.501318 -12.577445 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=232) 0 19.746441 -2.381682 -10.760468 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=232) 0 19.040908 -1.891735 -10.094569 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=232) 0 20.305177 -3.110346 -10.175152 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=232) 0 20.756339 -1.365930 -11.276724 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=232) 0 21.863771 -1.705996 -11.664211 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=232) 0 20.424819 -0.100703 -11.314614 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=232) 0 21.135294 0.549907 -11.634009 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=232) 0 19.499122 0.174092 -11.007262 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=232) 0 18.321130 -4.413846 -11.323699 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=232) 0 19.007566 -5.436481 -11.247338 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=233) 0 17.031618 -4.428453 -10.947630 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=233) 0 16.483648 -3.586078 -11.068504 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=233) 0 16.323002 -5.689448 -10.606078 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=233) 0 17.065873 -6.413932 -10.277267 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=233) 0 15.401356 -5.525606 -9.387258 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=233) 0 14.898841 -6.471130 -9.211948 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=233) 0 16.045524 -5.355893 -8.527876 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=233) 0 14.346692 -4.414938 -9.378628 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=233) 0 13.962627 -4.323656 -8.365001 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=233) 0 14.818737 -3.469368 -9.606151 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=233) 0 13.153561 -4.666711 -10.292303 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=233) 0 12.201306 -5.334421 -9.906030 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=233) 0 13.170325 -4.142611 -11.497938 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=233) 0 13.938969 -3.556282 -11.794904 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=233) 0 12.391449 -4.299093 -12.126877 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=233) 0 15.686298 -6.353558 -11.841432 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=233) 0 16.057402 -5.989398 -12.948109 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=234) 0 14.820361 -7.366183 -11.702582 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=234) 0 14.556720 -7.679625 -10.779355 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=234) 0 14.097611 -7.980733 -12.830729 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=234) 0 13.823180 -7.186445 -13.524257 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=234) 0 15.029710 -8.986442 -13.547682 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=234) 0 16.024066 -8.555141 -13.660916 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=234) 0 15.118086 -9.866935 -12.912439 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=234) 0 14.550853 -9.448665 -14.936581 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=234) 0 13.494658 -9.684109 -14.901045 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=234) 0 14.770938 -8.385009 -16.012247 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=234) 0 15.834549 -8.215338 -16.162866 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=234) 0 14.329516 -8.723585 -16.949647 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=234) 0 14.295273 -7.447922 -15.726517 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=234) 0 15.314611 -10.704222 -15.358531 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=234) 0 15.108081 -11.506509 -14.648610 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=234) 0 14.972253 -11.026024 -16.342122 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=234) 0 16.385948 -10.510534 -15.386574 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=234) 0 12.824813 -8.709618 -12.335371 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=234) 0 12.908380 -9.386625 -11.307070 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=235) 0 11.678357 -8.616523 -13.038609 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=235) 0 11.390447 -7.665978 -14.107740 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=235) 0 12.124870 -7.725203 -14.909589 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=235) 0 11.363140 -6.656085 -13.695645 L 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-12.398956 -16.425898 L C-CT--0.306400(PDBName=CG1,ResName=VAL,ResNum=237) 0 7.300762 -13.137712 -18.163546 L H-HC-0.083600(PDBName=HG11,ResName=VAL,ResNum=237) 0 6.972792 -12.302571 -18.780076 L H-HC-0.083600(PDBName=HG12,ResName=VAL,ResNum=237) 0 8.300781 -12.929451 -17.785489 L H-HC-0.083600(PDBName=HG13,ResName=VAL,ResNum=237) 0 7.337304 -14.043800 -18.769493 L C-CT--0.306400(PDBName=CG2,ResName=VAL,ResNum=237) 0 4.919809 -13.566131 -17.534556 L H-HC-0.083600(PDBName=HG21,ResName=VAL,ResNum=237) 0 4.230204 -13.705998 -16.702619 L H-HC-0.083600(PDBName=HG22,ResName=VAL,ResNum=237) 0 4.603349 -12.708183 -18.125312 L H-HC-0.083600(PDBName=HG23,ResName=VAL,ResNum=237) 0 4.904221 -14.461492 -18.157190 L C-C-0.835000(PDBName=C,ResName=VAL,ResNum=237) 0 6.890314 -15.814524 -16.698244 L O-O2--0.817300(PDBName=O,ResName=VAL,ResNum=237) 0 5.860417 -16.517062 -16.769269 L O-O2--0.817300(PDBName=OXT,ResName=VAL,ResNum=237) 0 8.032795 -16.143801 -17.091673 L C-C-1.004947(PDBName=C18,ResName=GDS,ResNum=238) 0 -24.760366 -15.804527 -11.275371 L H-H1 94 0.0000 O-O2--0.856478(PDBName=O5,ResName=GDS,ResNum=238) 0 -24.303196 -14.873940 -11.966026 L O-O2--0.856478(PDBName=O6,ResName=GDS,ResNum=238) 0 -25.354009 -15.726735 -10.184188 L C-CT-0.021774(PDBName=C10,ResName=GDS,ResNum=238) 0 -24.440656 -20.867292 -5.805804 L H-HC 101 0.0000 C-CT-0.090430(PDBName=C6,ResName=GDS,ResNum=238) 0 -25.099437 -22.167578 -5.357362 L C-C-0.795436(PDBName=C20,ResName=GDS,ResNum=238) 0 -24.218619 -22.887822 -4.311016 L O-O2--0.768529(PDBName=O7,ResName=GDS,ResNum=238) 0 -24.631727 -22.992410 -3.138211 L O-O2--0.768529(PDBName=O8,ResName=GDS,ResNum=238) 0 -23.126326 -23.397147 -4.660045 L N-N3--0.516764(PDBName=N6,ResName=GDS,ResNum=238) 0 -26.478899 -21.842967 -4.897979 L H-H-0.336685(PDBName=H23,ResName=GDS,ResNum=238) 0 -26.964866 -22.661329 -4.544460 L H-H-0.336685(PDBName=H24,ResName=GDS,ResNum=238) 0 -26.463325 -21.153763 -4.148508 L H-H-0.336685(PDBName=H26,ResName=GDS,ResNum=238) 0 -27.020158 -21.453899 -5.667150 L H-HP-0.075961(PDBName=H8,ResName=GDS,ResNum=238) 0 -25.171543 -22.827660 -6.221874 L H-HC-0.040870(PDBName=H15,ResName=GDS,ResNum=238) 0 -25.167806 -20.306645 -6.396691 L H-HC-0.040870(PDBName=H16,ResName=GDS,ResNum=238) 0 -24.218379 -20.285375 -4.916951 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=239) -1 -7.701753 -11.084437 -4.898796 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=239) -1 -7.276610 -10.410090 -5.503557 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=239) -1 -7.115771 -10.960047 -4.121464 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=240) -1 -6.181049 5.263530 9.759355 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=240) -1 -5.356617 5.656127 9.393154 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=240) -1 -5.949009 4.307499 9.679750 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=242) -1 17.175514 -10.510974 -2.562055 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=242) -1 16.259655 -10.834142 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H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=253) -1 -9.219434 -19.306712 -1.862368 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=253) -1 -9.948179 -20.605481 -1.652275 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=255) -1 -14.268287 -9.766237 -13.100476 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=255) -1 -13.348459 -9.894842 -12.770383 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=255) -1 -14.715765 -10.465138 -12.540830 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=257) -1 -24.918225 -14.342551 -14.380485 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=257) -1 -24.259341 -13.605542 -14.496364 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=257) -1 -24.684070 -14.571878 -13.432898 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=258) -1 -14.559131 -24.723933 -3.043856 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=258) -1 -13.932643 -23.956632 -3.125282 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=258) -1 -15.242347 -24.425804 -3.695083 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=259) -1 -21.635804 -15.145524 -11.988517 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=259) -1 -22.601538 -14.972426 -12.032936 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=259) -1 -21.306817 -14.513046 -12.653093 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=260) -1 -22.887631 -23.908457 -1.439201 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=260) -1 -22.606797 -24.705539 -1.948631 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=260) -1 -23.553914 -23.552597 -2.092269 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=261) -1 -21.176158 -11.405075 -12.414622 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=261) -1 -20.328889 -11.022566 -12.097730 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=261) -1 -20.839287 -12.204708 -12.872478 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=262) -1 -25.703147 -13.068543 -10.806537 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=262) -1 -25.178632 -13.670333 -11.405004 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=262) -1 -25.551999 -13.551812 -9.963588 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=263) -1 -27.542420 -14.854810 -14.458716 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=263) -1 -26.569394 -14.663161 -14.409993 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=263) -1 -27.869487 -13.982681 -14.730573 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=264) -1 -17.997805 -12.504915 -14.456610 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=264) -1 -17.616692 -11.590585 -14.463935 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=264) -1 -17.369999 -12.911931 -13.795423 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=266) -1 -28.439014 -13.466210 -10.657978 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=266) -1 -27.548492 -13.091173 -10.848557 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=266) -1 -28.197848 -14.419874 -10.594611 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=267) -1 -29.557557 -16.037030 -8.453771 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=267) -1 -30.340406 -15.752141 -8.985773 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=267) -1 -28.879109 -16.007131 -9.177093 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=269) -1 -19.028924 -16.814507 6.792541 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=269) -1 -19.600025 -17.554191 6.546080 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=269) -1 -19.207633 -16.175930 6.076888 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=270) -1 7.611161 -2.889192 -12.433866 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=270) -1 8.036172 -2.986889 -11.551322 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=270) -1 7.642755 -3.828341 -12.731023 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=271) -1 -20.015797 -18.763287 3.034252 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=271) -1 -20.983995 -18.681589 2.966364 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=271) -1 -19.746383 -18.570263 2.111994 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=272) -1 30.255879 11.827055 -2.363765 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=272) -1 29.966101 12.227645 -3.222798 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=272) -1 29.382456 11.820904 -1.904701 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=273) -1 -16.249341 -16.613081 -16.848710 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=273) -1 -16.020413 -16.436312 -17.774486 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=273) -1 -16.726399 -15.765776 -16.631550 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=274) -1 25.220364 -4.565039 -12.731133 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=274) -1 25.155321 -5.391135 -12.197398 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=274) -1 24.279993 -4.297321 -12.743098 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=275) -1 -13.132565 27.062465 2.818100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=275) -1 -12.369201 26.464094 2.662990 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=275) -1 -13.119886 27.097632 3.801561 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=276) -1 20.214313 -16.519779 -0.324505 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=276) -1 19.307092 -16.334174 0.048943 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=276) -1 20.749286 -16.241091 0.445014 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=277) -1 0.308788 -14.824307 -9.757129 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=277) -1 0.406383 -14.992469 -8.782230 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=277) -1 1.126478 -14.331430 -9.921872 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=278) -1 -27.607622 -10.242214 -8.459963 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=278) -1 -26.878000 -10.226904 -9.113604 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=278) -1 -27.671134 -9.280105 -8.253349 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=279) -1 25.573147 -9.755389 -16.707722 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=279) -1 24.860989 -9.075728 -16.643903 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=279) -1 25.051692 -10.548840 -16.422136 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=280) -1 19.784893 8.156589 -14.822613 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=280) -1 19.851168 9.150212 -14.837594 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=280) -1 19.981050 7.963905 -15.752641 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=281) -1 2.104171 -1.360327 -8.172849 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=281) -1 3.034126 -1.133970 -7.921253 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=281) -1 1.693392 -0.467288 -8.053154 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=282) -1 -21.041559 -3.197300 -17.601590 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=282) -1 -21.683756 -3.639708 -16.983152 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=282) -1 -21.359552 -3.542083 -18.448145 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=283) -1 -23.650554 23.134338 -4.552162 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=283) -1 -23.236848 23.104729 -5.440170 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=283) -1 -24.584700 22.947321 -4.789462 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=284) -1 -7.573578 -18.735570 11.400825 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=284) -1 -8.561882 -18.798961 11.351275 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=284) -1 -7.492227 -17.798698 11.696993 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=285) -1 -23.323867 21.557049 10.215347 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=285) -1 -23.081569 20.901303 9.518695 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=285) -1 -23.989333 21.060028 10.708365 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=286) -1 1.980273 8.582042 7.745241 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=286) -1 2.173768 8.109335 8.569598 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=286) -1 2.497661 8.033946 7.104760 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=287) -1 21.870437 12.536669 -2.840346 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=287) -1 22.045202 12.143083 -1.949361 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=287) -1 21.719705 13.472209 -2.566675 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=288) -1 -13.707221 24.069192 -15.963927 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=288) -1 -13.200516 23.576714 -16.625171 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=288) -1 -14.586836 24.125957 -16.407400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=289) -1 -15.183361 17.081115 2.654475 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=289) -1 -15.951548 16.663550 3.117909 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=289) -1 -14.631800 17.310222 3.439877 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=291) -1 10.119257 19.368069 16.673233 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=291) -1 10.814175 19.181686 15.997401 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=291) -1 9.714569 18.497194 16.759127 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=292) -1 26.801404 1.437742 -9.819011 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=292) -1 27.486346 2.118767 -9.988161 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=292) -1 26.072763 1.780050 -10.384580 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=293) -1 -13.568701 7.183356 -12.174485 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=293) -1 -13.028972 6.587983 -12.745287 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=293) -1 -12.989238 7.204445 -11.373382 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=294) -1 -21.378332 -6.693455 15.751825 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=294) -1 -21.374181 -6.768970 14.765322 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=294) -1 -20.537708 -7.170061 15.945296 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=295) -1 -10.810333 15.168478 -6.355212 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=295) -1 -11.436979 14.777337 -7.018337 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=295) -1 -10.280101 14.351868 -6.165946 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=296) -1 -21.680595 2.336178 -11.342614 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=296) -1 -20.894610 2.547219 -11.906775 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=296) -1 -21.227711 1.885980 -10.595568 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=297) -1 -13.740106 8.894480 13.393196 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=297) -1 -14.366357 8.136500 13.464613 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=297) -1 -12.887058 8.399843 13.393219 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=298) -1 35.161250 -0.488566 11.433201 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=298) -1 35.100791 -0.587190 10.441181 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=298) -1 35.971222 -0.997448 11.593885 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=299) -1 19.327831 13.497454 -10.979844 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=299) -1 19.185711 14.196052 -11.637804 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=299) -1 19.231020 12.695166 -11.548549 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=301) -1 26.192170 -7.884148 -13.466335 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=301) -1 25.635061 -7.525074 -12.727191 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=301) -1 25.907607 -7.261269 -14.178492 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=302) -1 -10.137149 4.021684 15.307532 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=302) -1 -9.421670 3.817672 14.655389 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=302) -1 -10.793580 4.427727 14.688806 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=303) -1 18.549186 3.206178 -22.686430 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=303) -1 18.741948 2.672828 -21.894094 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=303) -1 17.610107 3.430907 -22.533200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=304) -1 -20.982865 13.037998 12.809903 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=304) -1 -21.385309 13.208793 11.915300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=304) -1 -21.724735 13.293681 13.377472 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=305) -1 -18.945494 1.284703 10.679366 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=305) -1 -19.688226 1.906006 10.595082 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=305) -1 -18.196598 1.903383 10.798632 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=306) -1 7.376418 -3.603782 5.170327 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=306) -1 8.239156 -3.645019 4.706376 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=306) -1 6.787253 -3.452578 4.392369 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=307) -1 4.946631 -10.604046 10.911039 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=307) -1 4.408111 -9.777491 10.914747 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=307) -1 5.768161 -10.237269 10.486449 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=308) -1 12.554706 13.731194 -11.402333 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=308) -1 12.581343 13.030849 -12.094141 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=308) -1 13.489155 13.792477 -11.165262 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=309) -1 -10.264980 19.336433 -11.069452 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=309) -1 -10.382529 18.870429 -11.932660 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=309) -1 -10.223390 18.547698 -10.473927 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=310) -1 -10.527444 -1.137305 11.208634 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=310) -1 -10.895748 -1.773805 11.853373 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=310) -1 -9.763658 -0.790477 11.722449 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=311) -1 23.899357 15.409761 -6.462507 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=311) -1 23.540325 16.251457 -6.843518 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=311) -1 23.469081 15.479946 -5.565676 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=312) -1 -11.795583 14.411675 -0.316026 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=312) -1 -12.498143 14.989156 0.082134 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=312) -1 -12.368386 13.625396 -0.518383 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=313) -1 0.394219 -3.844920 14.655355 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=313) -1 0.557803 -4.422085 15.436145 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=313) -1 1.291814 -3.455569 14.549179 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=314) -1 -26.157883 -7.779978 -10.421012 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=314) -1 -26.654267 -7.714133 -9.579192 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=314) -1 -25.899962 -8.724277 -10.402296 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=315) -1 -19.330633 14.443100 -2.465409 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=315) -1 -19.559603 13.553754 -2.839200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=315) -1 -18.947204 14.847389 -3.281646 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=316) -1 19.642574 -18.808926 -1.639787 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=316) -1 19.877065 -17.982254 -1.153652 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=316) -1 20.313817 -19.415977 -1.299098 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=317) -1 -21.911207 -16.822605 5.455637 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=317) -1 -21.204022 -16.204344 5.188264 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=317) -1 -22.220382 -16.421907 6.279636 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=318) -1 -13.586504 5.124096 11.493155 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=318) -1 -13.289240 5.944749 11.025979 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=318) -1 -14.228686 4.785534 10.811338 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=319) -1 29.244902 12.967361 -4.677812 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=319) -1 30.091751 12.995454 -5.191522 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=319) -1 28.640549 12.671102 -5.399437 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=320) -1 -18.320619 26.238353 3.225512 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=320) -1 -18.214591 25.278563 3.072551 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=320) -1 -17.416038 26.482134 3.510670 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=321) -1 -20.220817 29.145602 -3.296653 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=321) -1 -19.995992 29.401027 -4.221216 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=321) -1 -20.446483 30.006104 -2.918754 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=322) -1 23.786154 6.367415 -13.172814 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=322) -1 24.371973 5.603212 -12.897399 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=322) -1 22.919557 5.967009 -12.925065 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=323) -1 25.117754 -13.984327 -14.168404 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=323) -1 24.180718 -14.080186 -13.861430 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=323) -1 25.330096 -14.908565 -14.364987 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=324) -1 15.896408 9.395246 -13.344209 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=324) -1 15.999281 9.797516 -12.462039 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=324) -1 15.146213 8.772206 -13.165884 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=325) -1 -27.889486 -14.970244 -1.108664 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=325) -1 -27.669583 -14.072058 -0.755073 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=325) -1 -28.877575 -14.885907 -1.125451 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=326) -1 12.363914 14.441085 -6.083354 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=326) -1 11.409949 14.469439 -5.813218 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=326) -1 12.310232 13.646040 -6.682854 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=327) -1 -25.834070 2.161290 -3.800693 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=327) -1 -26.368995 1.445607 -3.388442 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=327) -1 -26.381175 2.342746 -4.594870 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=328) -1 14.799998 15.909439 -5.541460 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=328) -1 15.260158 15.577955 -4.739868 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=328) -1 14.124513 15.216998 -5.665579 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=329) -1 3.015223 -2.860103 -4.190030 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=329) -1 3.835941 -2.932255 -4.749206 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=329) -1 3.099158 -1.904293 -3.944953 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=330) -1 11.854104 16.950614 -7.156348 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=330) -1 12.229515 16.144932 -6.747252 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=330) -1 12.335790 17.641863 -6.651865 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=331) -1 -6.603813 11.311169 16.742572 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=331) -1 -6.968745 10.582649 16.185376 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=331) -1 -5.851694 10.865187 17.153047 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=332) -1 -1.542912 -16.176990 -4.302804 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=332) -1 -2.483669 -16.448651 -4.354179 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=332) -1 -1.186822 -16.676539 -5.076448 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=333) -1 0.689727 -10.754245 14.163714 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=333) -1 0.770051 -11.732682 14.162594 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=333) -1 1.604893 -10.490175 13.998935 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=334) -1 -24.088950 7.629381 5.468630 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=334) -1 -24.170113 6.868240 6.067232 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=334) -1 -23.193362 7.433871 5.076696 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=335) -1 3.199437 6.148333 -2.097083 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=335) -1 4.085890 6.566274 -2.238454 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=335) -1 3.490532 5.216878 -1.965992 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=336) -1 31.821896 10.727188 2.816933 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=336) -1 31.024742 11.111259 3.200419 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=336) -1 31.712948 10.949609 1.869484 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=337) -1 -15.236683 32.334534 -1.778953 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=337) -1 -15.095941 33.163720 -1.300820 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=337) -1 -15.406014 31.720078 -1.021331 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=338) -1 7.554742 11.653889 -7.490070 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=338) -1 8.451558 12.046857 -7.387123 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=338) -1 7.311102 12.039659 -8.359473 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=339) -1 9.121501 -0.969654 -13.598239 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=339) -1 9.466849 -0.778822 -12.693572 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=339) -1 8.509285 -1.713049 -13.373903 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=340) -1 14.158807 18.313839 -2.701349 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=340) -1 15.043400 18.005723 -2.413099 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=340) -1 13.595947 17.623319 -2.270905 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=341) -1 9.732370 14.310267 -5.554877 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=341) -1 9.731089 13.749178 -6.371150 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=341) -1 8.761706 14.452936 -5.463647 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=342) -1 -24.384753 14.179712 2.861169 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=342) -1 -24.677795 13.405136 3.398589 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=342) -1 -23.832940 13.695285 2.190673 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=343) -1 -2.472191 -5.263604 19.195530 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=343) -1 -3.232683 -5.623090 19.694444 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=343) -1 -2.467885 -4.341413 19.529358 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=344) -1 -8.760770 20.897957 4.961039 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=344) -1 -9.430208 20.234640 4.657917 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=344) -1 -9.022638 20.955522 5.910090 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=345) -1 -12.458606 -26.418701 -3.431337 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=345) -1 -13.255641 -25.834552 -3.401932 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=345) -1 -12.804819 -27.170481 -2.893459 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=346) -1 -10.872395 -16.435639 17.301117 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=346) -1 -10.589651 -16.483652 16.344307 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=346) -1 -11.590232 -17.113345 17.261803 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=347) -1 27.452383 7.613151 -8.184797 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=347) -1 27.600541 8.567522 -8.023448 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=347) -1 27.456468 7.599182 -9.163680 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=348) -1 -15.761678 -21.526768 2.816248 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=348) -1 -15.296115 -21.444576 3.676307 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=348) -1 -16.664784 -21.254613 3.081742 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=349) -1 15.848273 1.443810 -20.448112 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=349) -1 15.661760 2.198732 -21.038161 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=349) -1 14.957613 1.234054 -20.113404 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=350) -1 20.114585 1.845387 14.349422 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=350) -1 20.620124 2.685301 14.453494 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=350) -1 20.623147 1.271465 14.966495 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=351) -1 25.148514 -14.836603 -9.553540 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=351) -1 24.438673 -15.247937 -10.099253 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=351) -1 25.030947 -13.899268 -9.798142 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=352) -1 -12.219244 3.209739 20.845132 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=352) -1 -11.408531 2.652192 20.798497 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=352) -1 -11.890756 3.968520 21.347832 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=353) -1 3.830263 -13.638988 -3.267683 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=353) -1 4.648787 -13.299165 -2.836664 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=353) -1 3.183171 -13.459610 -2.548933 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=354) -1 -11.879083 3.759375 -15.753555 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=354) -1 -12.267523 3.663517 -16.635310 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=354) -1 -11.694289 2.816252 -15.532269 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=355) -1 -20.947126 -6.915776 13.064033 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=355) -1 -19.968341 -6.824555 13.153551 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=355) -1 -21.093978 -6.213204 12.369434 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=356) -1 -26.368907 -28.763129 -5.272508 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=356) -1 -26.563193 -28.529940 -4.344853 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=356) -1 -25.543447 -28.257262 -5.412176 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=357) -1 -11.852585 -25.624877 0.157527 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=357) -1 -12.811423 -25.654499 -0.064611 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=357) -1 -11.791751 -26.336559 0.809758 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=358) -1 -9.289528 -6.937357 20.156964 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=358) -1 -8.547987 -7.517867 20.426698 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=358) -1 -9.165082 -6.197422 20.795671 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=359) -1 -8.152173 16.290868 -0.755207 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=359) -1 -8.299035 15.702844 0.022341 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=359) -1 -8.741539 15.832203 -1.402784 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=360) -1 -12.978760 29.496935 -6.628866 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=360) -1 -12.736538 28.722182 -7.197952 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=360) -1 -12.271546 29.374060 -5.936682 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=361) -1 -4.354126 -16.541547 -4.809648 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=361) -1 -4.348480 -15.750006 -4.220605 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=361) -1 -5.155468 -16.994569 -4.444276 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=362) -1 12.652285 15.334016 7.616544 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=362) -1 12.567442 16.253413 7.280377 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=362) -1 13.568678 15.133606 7.344030 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=363) -1 8.689472 -2.628806 -16.771777 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=363) -1 8.798427 -3.278020 -16.026427 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=363) -1 8.351616 -3.221732 -17.459897 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=364) -1 -21.796153 -1.714663 -14.047514 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=364) -1 -22.221129 -0.889186 -13.703045 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=364) -1 -22.554571 -2.338346 -13.917559 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=365) -1 33.396573 -4.690574 6.204402 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=365) -1 32.465880 -4.365692 6.192201 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=365) -1 33.614422 -4.546462 5.248521 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=366) -1 -24.339235 5.917306 -4.646964 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=366) -1 -25.132883 5.591685 -5.122638 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=366) -1 -24.223881 5.191700 -3.991891 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=367) -1 7.334654 15.390976 -7.836233 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=367) -1 8.189628 15.813969 -8.070183 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=367) -1 7.283568 14.719000 -8.550921 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=368) -1 -13.845475 -27.912029 -1.577027 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=368) -1 -14.593740 -28.501837 -1.435088 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=368) -1 -14.142078 -27.100950 -1.110561 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=369) -1 -3.130667 -5.739542 -13.404856 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=369) -1 -3.177965 -6.598736 -13.843526 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=369) -1 -4.067084 -5.447132 -13.453668 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=370) -1 -0.756062 6.491505 -7.262116 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=370) -1 -0.200152 6.481725 -8.059119 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=370) -1 -0.050863 6.373633 -6.568864 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=371) -1 -22.582986 -4.419406 -15.842570 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=371) -1 -21.946705 -4.883484 -15.253484 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=371) -1 -23.203706 -4.066296 -15.166818 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=372) -1 31.341212 -3.498449 17.199597 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=372) -1 31.627726 -2.996720 16.408648 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=372) -1 30.437976 -3.139179 17.313760 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=374) -1 5.747288 -13.048205 11.878762 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=374) -1 4.924309 -13.262489 12.370186 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=374) -1 5.606589 -12.086882 11.730171 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=375) -1 9.597333 13.568971 2.368573 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=375) -1 10.316674 14.149187 2.728412 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=375) -1 8.834880 14.158649 2.475913 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=376) -1 16.306976 12.885202 14.357765 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=376) -1 15.605103 12.805079 13.658399 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=376) -1 16.762364 12.025497 14.206720 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=377) -1 -29.326586 -16.107700 -12.782575 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=377) -1 -28.741343 -16.104463 -11.993408 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=377) -1 -28.740472 -15.649326 -13.426593 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=378) -1 -8.255773 -18.661004 -5.666912 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=378) -1 -8.921410 -18.016465 -5.990222 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=378) -1 -8.485309 -19.437501 -6.227953 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=379) -1 -19.942348 12.246435 -3.937016 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=379) -1 -20.313788 11.346848 -4.096967 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=379) -1 -19.105109 12.166622 -4.453469 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=380) -1 3.419698 3.770489 -6.450009 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=380) -1 3.727798 2.904269 -6.131541 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=380) -1 2.524891 3.802137 -6.021892 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=381) -1 -14.297621 18.257737 9.500129 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=381) -1 -14.600657 19.025451 8.966855 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=381) -1 -15.165302 18.000730 9.911792 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=382) -1 34.409383 -3.092761 -1.818354 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=382) -1 34.153427 -4.040255 -1.749121 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=382) -1 34.078494 -2.873193 -2.697735 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=383) -1 -12.257648 -5.930390 -13.208590 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=383) -1 -12.475114 -6.570228 -13.924197 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=383) -1 -13.167052 -5.709026 -12.909987 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=384) -1 -7.375296 -8.817701 20.898597 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=384) -1 -7.366944 -8.954226 21.861203 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=384) -1 -6.439069 -8.492383 20.777910 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=385) -1 11.879732 18.440191 14.840733 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=385) -1 11.758867 17.510410 14.509128 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=385) -1 12.704820 18.669995 14.391003 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=386) -1 35.538399 0.535738 1.330954 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=386) -1 34.917910 0.983748 0.710452 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=386) -1 35.764383 -0.255197 0.780125 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=387) -1 -18.642574 16.832454 8.994575 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=387) -1 -18.562101 16.586945 8.051800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=387) -1 -19.614603 16.992399 9.047601 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=388) -1 -21.676934 23.628574 9.751626 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=388) -1 -22.298926 22.874945 9.905519 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=388) -1 -21.820455 24.144902 10.554644 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=389) -1 13.201284 10.046904 15.634607 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=389) -1 13.789277 9.942509 14.846960 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=389) -1 13.606369 10.864272 16.018567 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=390) -1 -19.164427 -4.987340 -11.772215 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=390) -1 -19.745771 -5.039712 -10.977739 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=390) -1 -19.248942 -4.023638 -11.966460 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=391) -1 1.081725 10.845687 0.625484 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=391) -1 1.993945 10.490068 0.438232 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=391) -1 0.831096 10.214020 1.344343 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=392) -1 -4.628977 6.659973 17.860154 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=392) -1 -3.867296 7.227310 18.059382 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=392) -1 -4.154843 5.910723 17.397241 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=393) -1 -12.201319 0.246064 19.232323 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=393) -1 -12.460905 0.989530 18.647329 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=393) -1 -12.538653 -0.510892 18.686311 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=394) -1 -10.485915 28.798621 -13.737047 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=394) -1 -9.985025 29.623651 -13.758722 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=394) -1 -11.370803 29.120960 -13.452102 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=395) -1 -31.565327 -22.492887 -4.792130 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=395) -1 -31.129339 -22.363416 -3.919744 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=395) -1 -31.231410 -23.396861 -5.004462 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=396) -1 20.481763 -2.729069 -16.588660 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=396) -1 19.805952 -3.429235 -16.768807 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=396) -1 20.249437 -2.515195 -15.660776 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=397) -1 -2.420721 -8.236211 16.795248 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=397) -1 -3.400987 -8.109346 16.842461 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=397) -1 -2.375674 -9.044246 16.244642 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=398) -1 8.322713 6.494940 7.903712 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=398) -1 7.811830 6.173618 8.695351 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=398) -1 8.355472 7.442838 8.103204 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=399) -1 -3.640393 -14.196486 -12.676929 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=399) -1 -4.390341 -13.836730 -13.212786 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=399) -1 -3.581112 -15.095569 -13.062991 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=400) -1 -24.090406 1.014195 1.866074 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=400) -1 -24.166383 0.120207 1.460621 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=400) -1 -23.879565 0.747759 2.796704 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=401) -1 -14.418924 -16.046172 15.530062 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=401) -1 -15.383819 -16.141438 15.523031 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=401) -1 -14.292478 -15.651161 16.433598 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=402) -1 26.504953 5.572071 -3.876950 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=402) -1 27.155492 5.736479 -4.613037 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=402) -1 25.710102 5.397160 -4.440023 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=403) -1 -4.433968 -1.631854 22.609906 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=403) -1 -3.982086 -1.427032 23.443556 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=403) -1 -5.025223 -0.830826 22.542074 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=404) -1 -30.550543 -14.990824 -1.460450 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=404) -1 -30.749147 -14.602507 -2.340274 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=404) -1 -31.077376 -15.813568 -1.507278 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=405) -1 -0.041883 -15.426218 2.125886 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=405) -1 -0.287595 -15.576243 3.066391 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=405) -1 -0.859150 -14.974128 1.809548 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=406) -1 -23.155423 20.318477 4.393007 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=406) -1 -23.213637 19.554701 5.007207 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=406) -1 -22.941435 19.849581 3.555080 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=407) -1 -14.642838 -17.719431 9.553603 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=407) -1 -15.345090 -17.340253 8.978811 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=407) -1 -14.544880 -16.960716 10.190841 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=408) -1 12.802956 5.830762 -18.794673 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=408) -1 13.186483 5.560595 -17.930416 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=408) -1 12.670213 4.946024 -19.199244 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=409) -1 6.786136 -5.704528 1.180269 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=409) -1 7.383879 -6.353962 0.720174 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=409) -1 6.439899 -5.253126 0.363553 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=410) -1 16.814828 20.096001 3.381301 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=410) -1 16.238376 20.199360 2.578300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=410) -1 17.182432 19.195138 3.159177 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=411) -1 10.910152 -1.507651 -15.609643 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=411) -1 10.325307 -1.248714 -14.855183 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=411) -1 10.227103 -1.910181 -16.197094 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=412) -1 8.487482 -7.130051 -7.172422 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=412) -1 9.446723 -6.897586 -7.213518 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=412) -1 8.332854 -7.001994 -6.207957 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=413) -1 -26.672866 1.841146 2.194358 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=413) -1 -26.801393 1.199402 2.937160 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=413) -1 -25.729383 1.638399 1.985642 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=414) -1 10.094534 4.908352 11.519213 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=414) -1 10.449618 5.248536 10.672256 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=414) -1 10.643436 5.407478 12.158164 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=415) -1 22.474819 15.859396 -4.240671 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=415) -1 21.619874 16.301569 -4.442826 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=415) -1 22.299315 15.560527 -3.324818 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=416) -1 -22.198751 -25.596927 -3.500407 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=416) -1 -22.546143 -24.790415 -3.958997 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=416) -1 -21.290074 -25.607488 -3.852486 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=417) -1 20.956651 -17.801767 -13.956372 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=417) -1 20.034342 -17.908440 -14.276994 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=417) -1 21.095806 -16.860382 -14.259501 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=418) -1 24.233944 19.857155 -10.828718 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=418) -1 24.246775 18.913964 -10.539849 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=418) -1 23.563484 20.217464 -10.236343 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=419) -1 -21.296665 -7.652274 -11.015125 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=419) -1 -20.351867 -7.808365 -11.246214 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=419) -1 -21.189231 -6.915347 -10.376815 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=420) -1 13.854829 15.135811 4.547436 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=420) -1 14.438702 14.745308 5.224086 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=420) -1 14.305734 16.002338 4.408482 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=421) -1 5.860629 -12.520852 -1.767486 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=421) -1 6.790698 -12.598500 -1.470068 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=421) -1 5.638445 -11.626443 -1.462180 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=422) -1 -15.361140 5.233834 -11.403370 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=422) -1 -14.896183 6.081577 -11.577034 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=422) -1 -15.323338 4.840058 -12.305378 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=423) -1 -3.611185 -17.659314 -7.133040 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=423) -1 -3.888341 -17.147014 -6.328657 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=423) -1 -4.297611 -18.348287 -7.131810 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=424) -1 -9.599803 28.931403 -2.798975 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=424) -1 -8.809653 28.481662 -2.415388 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=424) -1 -10.174328 28.972358 -2.012116 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=425) -1 -7.728684 23.534820 -10.785920 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=425) -1 -7.103644 22.857480 -10.426897 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=425) -1 -7.747652 24.146429 -10.011166 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=426) -1 31.373786 11.262352 0.136979 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=426) -1 31.158363 11.427536 -0.809056 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=426) -1 31.941943 10.459455 0.032982 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=427) -1 -8.099232 -16.837244 -13.055078 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=427) -1 -7.221839 -16.743263 -12.621721 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=427) -1 -8.550713 -16.041234 -12.708813 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=428) -1 23.912112 0.606473 -9.434741 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=428) -1 24.269841 1.124867 -8.678166 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=428) -1 24.080756 1.263846 -10.157331 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=429) -1 -17.851607 -2.719599 17.087300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=429) -1 -18.353811 -2.365018 16.336729 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=429) -1 -18.303636 -3.593655 17.197973 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=430) -1 -24.941632 -3.635981 -0.931491 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=430) -1 -24.675572 -4.362641 -0.328465 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=430) -1 -24.320704 -3.811822 -1.684308 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=431) -1 13.255055 -18.258532 1.174243 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=431) -1 13.170115 -17.346662 1.553091 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=431) -1 14.218478 -18.230544 0.948017 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=432) -1 -21.295997 17.394242 8.872641 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=432) -1 -21.730755 18.266265 8.964474 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=432) -1 -22.077617 16.825781 8.714822 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=433) -1 18.394863 2.117916 -20.050965 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=433) -1 18.161911 3.032761 -19.784639 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=433) -1 17.485546 1.759970 -20.212442 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=434) -1 -20.712647 6.076316 -5.767811 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=434) -1 -21.529081 5.925557 -6.315650 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=434) -1 -20.472971 5.113362 -5.633386 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=435) -1 -7.923873 25.539159 -12.640629 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=435) -1 -7.858334 24.729248 -12.080209 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=435) -1 -7.047121 25.538780 -13.054756 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=436) -1 9.038221 -8.272110 -9.568114 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=436) -1 8.724447 -8.064411 -8.656514 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=436) -1 9.848278 -8.783486 -9.346268 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=437) -1 -5.279860 -1.431812 -10.994652 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=437) -1 -5.623660 -1.034260 -11.826098 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=437) -1 -4.957419 -0.611644 -10.549981 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=438) -1 20.108062 10.001358 12.866743 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=438) -1 20.469884 10.922159 12.856903 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=438) -1 20.755007 9.589355 12.236440 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=439) -1 23.881597 17.421728 -9.680930 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=439) -1 23.299679 17.492170 -8.889252 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=439) -1 23.966982 16.450363 -9.741563 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=440) -1 -17.534029 12.878084 -8.961074 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=440) -1 -18.360417 13.379034 -8.788232 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=440) -1 -17.811784 11.986064 -8.657430 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=441) -1 10.632599 15.150511 -2.998471 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=441) -1 10.273196 14.278569 -2.733801 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=441) -1 10.318486 15.189736 -3.925386 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=442) -1 6.381052 -6.350171 -8.710597 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=442) -1 7.113476 -6.701275 -8.147966 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=442) -1 6.255573 -5.476197 -8.259109 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=443) -1 -11.735311 -9.651125 -15.787757 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=443) -1 -11.097848 -10.033057 -15.141710 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=443) -1 -11.754471 -10.346050 -16.458666 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=444) -1 12.853457 -19.805800 -2.784045 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=444) -1 12.251473 -19.427133 -2.108394 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=444) -1 13.547496 -20.184892 -2.196763 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=445) -1 15.496110 -12.433325 10.690429 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=445) -1 16.420947 -12.127193 10.880487 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=445) -1 15.690575 -13.400170 10.596879 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=446) -1 -21.483723 -9.268443 9.503038 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=446) -1 -22.191328 -8.604925 9.691552 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=446) -1 -21.070583 -8.826334 8.720862 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=447) -1 -15.474438 14.470355 -6.058742 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=447) -1 -15.296672 13.549601 -5.758075 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=447) -1 -15.361514 14.347505 -7.028796 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=448) -1 29.123151 8.215515 14.040102 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=448) -1 30.011569 7.983194 14.430509 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=448) -1 28.720369 7.315798 14.068082 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=449) -1 9.252880 -6.204045 3.976449 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=449) -1 9.220216 -5.329876 3.525058 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=449) -1 9.940652 -6.016576 4.651505 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=450) -1 -10.104980 15.221221 -2.279833 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=450) -1 -10.476843 14.602420 -2.963120 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=450) -1 -10.684644 14.939794 -1.521985 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=451) -1 -18.722260 26.207510 -4.824826 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=451) -1 -18.801335 26.787889 -5.626769 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=451) -1 -18.882966 25.334708 -5.286574 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=452) -1 -15.161112 11.891013 -5.262799 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=452) -1 -14.695205 11.998009 -4.386969 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=452) -1 -14.712928 11.062128 -5.552923 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=453) -1 22.536309 -6.757136 -13.068335 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=453) -1 23.351932 -6.930365 -12.523247 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=453) -1 22.519102 -5.770169 -12.979758 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=454) -1 -11.251663 5.017411 -8.735533 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=454) -1 -10.517639 4.497052 -9.119757 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=454) -1 -12.022363 4.485605 -9.036418 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=455) -1 24.590221 -4.015970 -16.869756 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=455) -1 23.938949 -3.684715 -17.541899 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=455) -1 24.536992 -3.248036 -16.241773 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=456) -1 -8.235059 20.597136 0.445090 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=456) -1 -8.011923 20.875705 1.360098 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=456) -1 -9.216868 20.524423 0.529654 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=457) -1 -6.914347 5.072206 -9.458790 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=457) -1 -7.794052 4.823009 -9.847833 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=457) -1 -6.343944 4.504584 -10.044069 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=458) -1 -20.947803 13.998966 -5.704773 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=458) -1 -20.220999 14.642466 -5.505178 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=458) -1 -20.720283 13.324213 -5.010124 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=459) -1 -19.023213 28.047150 1.418084 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=459) -1 -19.863581 27.714100 1.034883 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=459) -1 -18.906909 27.382413 2.145282 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=460) -1 -13.301730 -1.563972 17.624310 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=460) -1 -14.272150 -1.429548 17.568931 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=460) -1 -13.214548 -2.479338 17.324014 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=461) -1 -26.684309 -0.028331 -10.257284 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=461) -1 -26.904744 -0.976860 -10.071364 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=461) -1 -27.149423 0.088301 -11.103550 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=462) -1 11.677773 17.702834 4.237971 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=462) -1 12.249907 18.363635 3.784402 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=462) -1 12.017230 17.787582 5.153857 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=463) -1 -22.788906 22.818554 -7.220800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=463) -1 -23.720718 22.510751 -7.359240 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=463) -1 -22.719106 23.444612 -7.977614 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=464) -1 8.509762 -12.950868 -0.876540 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=464) -1 9.217629 -12.487556 -0.380607 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=464) -1 9.071866 -13.401126 -1.562629 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=465) -1 -5.713009 -4.869958 -13.193243 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=465) -1 -6.165936 -4.096800 -13.606729 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=465) -1 -5.510532 -4.484355 -12.309100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=466) -1 -11.733328 21.382908 -12.076443 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=466) -1 -11.263398 20.718744 -11.511275 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=466) -1 -12.221279 20.755886 -12.663585 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=467) -1 27.291460 7.966745 -11.001039 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=467) -1 27.338827 7.894931 -11.989266 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=467) -1 26.642399 8.713930 -10.942138 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=468) -1 8.739226 -2.895771 -9.963108 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=468) -1 8.798377 -3.850814 -9.733261 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=468) -1 7.934296 -2.651123 -9.447304 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=469) -1 11.483910 -15.488586 8.307462 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=469) -1 12.259542 -14.892056 8.354562 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=469) -1 11.856012 -16.211820 7.755873 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=470) -1 21.807400 12.795761 -14.627410 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=470) -1 22.482870 12.265804 -14.133397 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=470) -1 22.260065 13.645871 -14.689316 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=471) -1 -14.374872 26.423859 -9.464167 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=471) -1 -15.246103 26.732398 -9.113929 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=471) -1 -14.103360 27.212823 -9.967304 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=472) -1 3.458257 6.906366 6.202879 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=472) -1 4.424458 6.811486 6.389200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=472) -1 3.282508 5.974605 5.908931 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=473) -1 -16.848452 20.321976 -0.763817 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=473) -1 -15.874257 20.195657 -0.905799 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=473) -1 -17.171965 19.770705 -1.511738 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=474) -1 -9.247490 -1.344813 -14.695072 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=474) -1 -8.663858 -2.109819 -14.567958 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=474) -1 -10.118561 -1.711189 -14.467259 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=475) -1 -24.450534 -16.772962 -15.460455 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=475) -1 -24.613670 -15.864234 -15.116237 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=475) -1 -23.518302 -16.711678 -15.706067 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=476) -1 -12.297610 -23.034355 0.949901 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=476) -1 -11.873607 -22.395877 0.328768 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=476) -1 -11.956328 -23.878583 0.586297 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=477) -1 2.994124 3.159293 -11.696352 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=477) -1 3.196565 3.419926 -10.758167 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=477) -1 3.839877 3.448682 -12.112121 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=478) -1 11.111013 -6.799185 -7.779742 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=478) -1 11.386830 -7.674124 -8.116416 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=478) -1 11.628354 -6.202746 -8.352516 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=479) -1 11.440890 -18.381385 -0.885433 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=479) -1 12.125544 -18.428165 -0.176297 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=479) -1 10.709866 -17.966134 -0.366320 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=480) -1 0.709888 -15.287075 -7.161394 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=480) -1 0.156730 -16.026500 -6.840763 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=480) -1 1.100769 -14.977800 -6.313920 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=481) -1 5.621598 7.279333 -2.300809 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=481) -1 5.688517 7.879637 -1.521479 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=481) -1 6.539518 6.916107 -2.299803 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=482) -1 25.247340 7.982180 -14.802854 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=482) -1 24.674441 7.332165 -14.337724 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=482) -1 24.600806 8.650069 -15.064730 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=483) -1 -18.745629 24.418182 -17.829940 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=483) -1 -19.478044 24.188473 -18.411872 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=483) -1 -19.163625 24.358519 -16.946479 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=484) -1 -27.537034 -7.594394 -7.990721 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=484) -1 -27.906722 -6.746849 -8.358488 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=484) -1 -27.512405 -7.334598 -7.038386 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=485) -1 -28.923446 22.439296 -1.138504 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=485) -1 -29.225642 22.511459 -0.212593 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=485) -1 -29.466668 21.685140 -1.452850 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=486) -1 -16.209293 24.303970 -16.882178 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=486) -1 -17.031682 24.347723 -17.431321 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=486) -1 -16.235623 25.228249 -16.513201 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=487) -1 -20.018856 -9.267686 11.763402 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=487) -1 -20.542223 -8.569199 12.208952 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=487) -1 -20.553567 -9.373051 10.938423 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=488) -1 -7.885845 26.468153 0.944020 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=488) -1 -8.060627 25.508892 1.100567 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=488) -1 -7.322302 26.673798 1.703971 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=489) -1 3.673120 -5.517307 -8.342562 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=489) -1 4.313086 -4.826616 -8.048858 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=489) -1 4.302679 -6.153793 -8.743015 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=490) -1 27.291427 3.480174 -7.429289 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=490) -1 27.686554 3.429736 -8.329349 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=490) -1 26.435860 3.033354 -7.590871 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=491) -1 -13.697077 18.046675 4.688552 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=491) -1 -13.103633 17.276090 4.885794 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=491) -1 -13.274196 18.703915 5.304548 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=492) -1 -11.346687 -24.689310 -5.399639 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=492) -1 -10.810034 -24.223968 -4.727036 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=492) -1 -11.705334 -25.426227 -4.865800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=493) -1 0.695374 -13.505710 13.966141 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=493) -1 0.289187 -14.178381 14.561339 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=493) -1 -0.051882 -13.403283 13.326024 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=494) -1 10.954522 -12.734868 6.635731 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=494) -1 11.692077 -13.168840 7.121422 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=494) -1 11.326702 -11.828944 6.555698 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=495) -1 12.753251 16.269389 -1.594955 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=495) -1 12.650044 15.776161 -0.758415 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=495) -1 11.977135 15.929593 -2.096617 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=496) -1 -18.174602 15.020402 0.014781 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=496) -1 -17.279216 14.608374 0.040290 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=496) -1 -18.377342 14.903824 -0.941888 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=497) -1 -16.157729 -7.848055 -12.488974 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=497) -1 -15.414866 -8.478403 -12.601438 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=497) -1 -15.670260 -6.996036 -12.560395 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=498) -1 27.398134 9.824388 -4.980012 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=498) -1 27.101083 9.958879 -4.057228 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=498) -1 26.795836 9.091652 -5.249158 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=499) -1 5.493957 -15.274537 7.182885 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=499) -1 5.894907 -14.916491 8.011057 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=499) -1 6.311185 -15.656902 6.775843 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=500) -1 11.814609 15.983495 13.813163 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=500) -1 11.305222 15.621144 13.044338 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=500) -1 12.246654 15.147290 14.109239 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=501) -1 -25.788250 20.640676 3.303765 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=501) -1 -25.643708 19.671058 3.134779 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=501) -1 -24.992981 20.812167 3.856272 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=502) -1 27.805960 12.092731 -1.104044 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=502) -1 28.178340 12.552008 -0.319206 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=502) -1 27.538431 12.877408 -1.644154 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=503) -1 4.577563 -0.836480 -7.159899 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=503) -1 4.852537 -0.079934 -6.616290 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=503) -1 4.812442 -1.586773 -6.555880 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=504) -1 -24.616032 16.199202 4.620968 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=504) -1 -24.457979 15.499580 3.930447 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=504) -1 -24.924051 15.597366 5.349339 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=505) -1 25.924299 14.978227 13.081911 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=505) -1 26.147675 14.740510 12.153801 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=505) -1 26.402594 14.254612 13.551341 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=506) -1 -22.167136 9.872248 7.900290 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=506) -1 -21.832558 9.411266 8.710582 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=506) -1 -21.489540 9.551227 7.254760 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=507) -1 14.117914 -18.885199 -9.733865 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=507) -1 15.076837 -18.753470 -9.555439 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=507) -1 13.932496 -18.069531 -10.244225 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=508) -1 -27.599965 0.402954 -7.543355 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=508) -1 -27.536164 -0.574729 -7.358630 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=508) -1 -27.334350 0.400716 -8.484002 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=509) -1 12.845183 -10.627164 6.672726 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=509) -1 13.132696 -10.671301 7.614058 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=509) -1 13.680021 -10.880939 6.228552 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=511) -1 21.825806 11.695936 4.205368 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=511) -1 20.915619 11.943267 4.474157 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=511) -1 22.161251 11.336758 5.060057 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=512) -1 31.018021 4.637596 15.023133 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=512) -1 31.788900 4.273077 14.531800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=512) -1 30.734192 3.804036 15.492327 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=513) -1 -29.789771 -2.127015 -5.697983 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=513) -1 -29.038712 -2.258850 -6.318634 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=513) -1 -29.695559 -2.951884 -5.159156 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=514) -1 -16.908751 29.566803 2.443991 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=514) -1 -17.786213 29.214698 2.193524 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=514) -1 -16.595767 28.865481 3.047085 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=515) -1 28.887823 -8.609500 -13.013518 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=515) -1 28.647569 -9.424281 -13.489192 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=515) -1 28.048470 -8.112255 -13.070103 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=516) -1 14.005284 10.280345 -15.189913 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=516) -1 14.807871 10.084066 -14.666242 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=516) -1 13.604698 10.990503 -14.654877 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=517) -1 0.652870 11.870665 -1.853408 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=517) -1 -0.034177 11.196419 -2.068665 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=517) -1 0.935579 11.529320 -0.972830 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=518) -1 -6.245587 -7.437521 -12.634272 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=518) -1 -5.718241 -7.371283 -11.808446 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=518) -1 -6.124842 -6.523487 -12.980408 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=519) -1 -3.690275 -19.833033 10.387462 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=519) -1 -3.618144 -18.887657 10.140303 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=519) -1 -4.551260 -20.056292 9.976034 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=520) -1 33.600531 -5.702331 -1.787172 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=520) -1 33.369577 -5.892844 -2.737033 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=520) -1 33.093536 -6.442133 -1.371649 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=521) -1 -21.169488 -21.878969 -0.915823 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=521) -1 -21.731744 -22.666102 -1.117655 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=521) -1 -20.490975 -21.987144 -1.624933 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=522) -1 32.456224 -7.878554 -0.611657 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=522) -1 32.882342 -7.753108 0.271796 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=522) -1 32.789113 -8.756706 -0.847546 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=523) -1 -21.367898 9.044068 -9.240551 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=523) -1 -21.977117 8.290186 -9.433794 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=523) -1 -20.918561 8.688986 -8.442539 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=524) -1 -2.616164 11.161519 -0.330122 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=524) -1 -2.014578 11.886127 -0.057301 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=524) -1 -2.077018 10.746781 -1.041223 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=525) -1 -13.975235 15.663646 0.713922 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=525) -1 -14.713243 15.103491 0.396014 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=525) -1 -14.455862 16.209887 1.380971 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=526) -1 -13.348065 8.438545 1.657322 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=526) -1 -13.761067 9.291748 1.397768 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=526) -1 -13.187339 8.039614 0.783302 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=527) -1 -24.256305 2.360257 8.744875 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=527) -1 -24.896472 1.812409 8.224895 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=527) -1 -23.786129 2.801004 8.003681 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=528) -1 -8.742730 -0.048804 22.070081 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=528) -1 -8.431655 -0.668930 21.373852 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=528) -1 -9.231977 0.598524 21.512928 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=529) -1 10.633353 -12.975685 -5.773527 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=529) -1 10.970259 -13.702257 -6.353812 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=529) -1 9.839699 -13.423397 -5.403864 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=530) -1 33.732481 6.558933 13.719992 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=530) -1 33.531960 5.597217 13.640923 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=530) -1 34.269562 6.700980 12.931179 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=531) -1 -9.433041 6.280847 16.738195 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=531) -1 -9.648688 5.481312 16.216769 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=531) -1 -8.515855 6.453714 16.441029 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=532) -1 30.475177 3.101965 7.471808 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=532) -1 30.437882 2.902326 6.506968 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=532) -1 29.921044 3.911634 7.493945 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=533) -1 16.945843 -17.957388 -4.357285 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=533) -1 17.901230 -17.873248 -4.573520 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=533) -1 16.554568 -17.814806 -5.245674 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=534) -1 -8.586980 16.122046 15.991566 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=534) -1 -8.279215 15.182142 16.059515 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=534) -1 -7.812752 16.582479 16.347834 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=535) -1 -18.498102 14.994794 -5.043712 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=535) -1 -18.084574 14.125305 -5.263329 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=535) -1 -17.898217 15.587535 -5.549677 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=536) -1 -8.994647 25.018500 -2.157102 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=536) -1 -8.640636 24.141282 -1.873935 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=536) -1 -8.968093 24.894344 -3.134144 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=537) -1 -17.716148 21.080558 1.673358 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=537) -1 -16.976621 20.586074 2.122640 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=537) -1 -17.477831 20.828618 0.736778 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=538) -1 21.012796 19.759342 -6.786150 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=538) -1 20.689936 19.844652 -5.869338 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=538) -1 20.178279 19.491068 -7.235733 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=539) -1 10.008120 15.678882 -8.658011 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=539) -1 10.645155 16.271794 -8.185482 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=539) -1 10.202917 14.833848 -8.206477 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=540) -1 -26.612781 -22.497524 -0.022776 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=540) -1 -25.734146 -22.619890 0.397156 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=540) -1 -26.632422 -23.292134 -0.602486 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=541) -1 5.223683 -12.420470 4.078632 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=541) -1 5.672979 -11.534261 4.045818 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=541) -1 6.049023 -12.982055 4.109642 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=542) -1 -22.857582 19.133278 1.945507 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=542) -1 -23.720438 18.701431 2.137048 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=542) -1 -22.352410 18.344632 1.628171 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=543) -1 0.513041 -5.564250 16.730897 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=543) -1 0.371715 -6.130337 17.517071 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=543) -1 1.441521 -5.276178 16.885589 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=544) -1 17.262032 -6.010495 14.888223 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=544) -1 17.332165 -6.857912 15.357728 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=544) -1 18.172603 -5.958581 14.498065 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=545) -1 15.974509 -16.476028 -11.545750 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=545) -1 16.292593 -16.966558 -10.757546 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=545) -1 15.063695 -16.258179 -11.255185 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=546) -1 16.267735 -17.278714 5.775978 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=546) -1 16.574541 -17.922463 5.124661 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=546) -1 15.491393 -16.892607 5.307320 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=547) -1 9.944626 -0.683346 -10.992224 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=547) -1 10.801060 -0.657175 -10.542395 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=547) -1 9.527558 -1.460591 -10.550526 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=548) -1 -16.412604 -17.068614 7.517934 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=548) -1 -16.116332 -16.372587 6.885255 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=548) -1 -17.389042 -16.974081 7.408977 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=549) -1 29.293378 7.769728 6.524516 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=549) -1 29.994137 8.138918 7.126439 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=549) -1 29.873384 7.524550 5.764181 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=550) -1 23.780834 9.066941 -3.683595 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=550) -1 23.281524 9.292075 -4.516662 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=550) -1 24.111693 9.986645 -3.490557 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=551) -1 23.523486 -13.838240 3.513723 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=551) -1 23.232750 -14.590106 4.073286 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=551) -1 22.929786 -13.972455 2.737535 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=552) -1 30.156410 7.779697 -12.524207 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=552) -1 30.030682 6.897704 -12.130809 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=552) -1 29.376978 7.827393 -13.116096 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=553) -1 33.038464 3.984831 13.222379 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=553) -1 33.526614 3.191229 12.886429 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=553) -1 32.409662 4.086053 12.456459 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=554) -1 -25.150621 14.253903 6.412049 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=554) -1 -25.235132 13.589658 5.679280 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=554) -1 -25.244094 13.610865 7.172276 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=555) -1 -18.953740 27.665447 -7.091596 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=555) -1 -19.699208 27.237583 -7.577384 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=555) -1 -19.393742 28.478695 -6.775413 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=556) -1 0.431989 2.059426 -11.504416 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=556) -1 1.210563 2.647564 -11.643056 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=556) -1 0.907439 1.230755 -11.254702 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=557) -1 -9.740694 20.908222 7.513836 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=557) -1 -10.565643 20.998104 8.045378 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=557) -1 -9.130762 20.565523 8.182477 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=558) -1 -16.329167 19.153980 -12.430210 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=558) -1 -15.600546 18.520414 -12.650547 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=558) -1 -17.015175 18.485740 -12.161092 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=559) -1 14.206012 -2.715032 14.129080 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=559) -1 14.275998 -2.574353 13.160643 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=559) -1 14.041267 -1.788130 14.419817 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=560) -1 -13.595704 32.166182 -6.975360 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=560) -1 -14.009928 32.312210 -6.100800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=560) -1 -13.193847 31.282615 -6.828573 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=561) -1 -11.580714 -14.342552 18.813968 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=561) -1 -11.270943 -15.074487 18.226842 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=561) -1 -11.193313 -13.573918 18.334686 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=562) -1 24.954803 11.070383 14.374729 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=562) -1 24.277449 10.589986 14.868340 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=562) -1 24.421651 11.453468 13.641822 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=563) -1 -14.545183 31.828203 -12.050673 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=563) -1 -15.261102 31.229410 -12.398931 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=563) -1 -14.779423 32.648400 -12.511141 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=564) -1 17.357347 4.217731 12.015528 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=564) -1 18.203972 4.704296 12.109670 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=564) -1 17.704540 3.295966 11.986276 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=565) -1 -10.179404 26.163623 -14.112251 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=565) -1 -10.233998 27.149328 -14.018668 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=565) -1 -9.353740 26.006250 -13.598844 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=566) -1 -16.146552 0.805988 -14.845782 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=566) -1 -16.337118 0.975546 -15.801372 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=566) -1 -17.048050 1.023885 -14.484305 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=567) -1 -8.835131 1.265883 -14.396125 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=567) -1 -9.713381 1.499280 -14.766906 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=567) -1 -8.870795 0.282611 -14.535196 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=568) -1 15.013729 20.684575 -1.467815 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=568) -1 15.826401 20.705089 -2.026430 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=568) -1 14.503734 19.998777 -1.950813 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=569) -1 26.801131 -8.631108 -18.960286 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=569) -1 26.297291 -7.795230 -18.854762 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=569) -1 26.472142 -9.128701 -18.183268 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=570) -1 8.257578 -5.542656 -12.575408 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=570) -1 7.622924 -6.279383 -12.380052 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=570) -1 8.747148 -5.549730 -11.715663 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=571) -1 -22.239576 -5.056887 6.750358 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=571) -1 -22.747668 -5.884149 6.839151 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=571) -1 -21.782314 -5.061905 7.639389 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=572) -1 17.203193 -2.153245 -17.814209 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=572) -1 17.871930 -1.510250 -18.141921 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=572) -1 17.751069 -2.955015 -17.726367 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=573) -1 -27.911984 20.125544 1.535845 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=573) -1 -28.476387 20.914837 1.687567 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=573) -1 -27.292603 20.208085 2.290573 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=574) -1 16.705138 -14.880763 10.225562 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=574) -1 16.734131 -15.261813 9.320480 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=574) -1 17.662167 -14.750955 10.384480 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=575) -1 27.285927 13.892662 -3.010236 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=575) -1 26.554085 13.917770 -3.664394 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=575) -1 28.041247 13.710346 -3.615972 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=576) -1 -19.470572 24.155925 -15.197856 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=576) -1 -18.636538 23.628098 -15.120015 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=576) -1 -19.997587 23.723412 -14.497595 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=577) -1 -19.962578 26.633672 -2.468880 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=577) -1 -19.650883 26.335298 -3.364233 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=577) -1 -20.166538 27.580261 -2.714560 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=578) -1 -25.296428 -5.532607 -11.583637 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=578) -1 -24.444874 -5.875444 -11.929444 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=578) -1 -25.665658 -6.367521 -11.200217 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=579) -1 -23.798678 -3.457622 -13.551637 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=579) -1 -24.673882 -3.204587 -13.170614 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=579) -1 -23.635369 -4.283876 -13.046561 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=580) -1 -16.667120 11.037544 4.343365 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=580) -1 -15.990647 11.150787 5.053588 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=580) -1 -16.185288 11.478594 3.603035 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=581) -1 3.824779 -14.562754 5.238241 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=581) -1 4.444861 -14.875290 5.951843 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=581) -1 4.435355 -13.937953 4.781153 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=582) -1 -13.899567 31.001691 -9.516758 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=582) -1 -14.117928 31.509394 -10.326546 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=582) -1 -13.710141 31.728051 -8.888813 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=583) -1 18.622674 18.565769 -7.418228 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=583) -1 17.673570 18.290646 -7.436204 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=583) -1 19.041556 17.668504 -7.370962 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=584) -1 4.687107 -9.833521 -0.846289 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=584) -1 5.382739 -9.755897 -0.145735 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=584) -1 4.814113 -8.956918 -1.284968 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=585) -1 -16.712211 11.081067 0.148021 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=585) -1 -15.764440 10.927962 0.396121 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=585) -1 -17.133879 10.418896 0.748736 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=586) -1 6.091948 -7.559833 3.061437 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=586) -1 6.115530 -7.127388 3.937127 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=586) -1 6.353823 -6.799735 2.487903 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=587) -1 -8.216008 -19.888808 7.284379 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=587) -1 -7.984635 -18.908239 7.265110 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=587) -1 -7.594516 -20.139852 8.016302 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=588) -1 -12.848779 28.646040 -10.261279 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=588) -1 -12.444958 28.304518 -9.433615 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=588) -1 -13.208548 29.504780 -9.919930 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=589) -1 10.669020 6.951249 -17.454071 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=589) -1 11.347416 6.665102 -18.107490 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=589) -1 11.243685 7.502536 -16.866793 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=590) -1 26.440736 10.189108 -2.423549 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=590) -1 26.933769 10.844660 -1.862838 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=590) -1 25.692895 10.778928 -2.701208 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=591) -1 7.776650 3.749424 -14.416332 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=591) -1 7.843746 2.812687 -14.708247 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=591) -1 8.201109 4.194832 -15.183154 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=592) -1 -10.390360 -12.199950 17.630965 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=592) -1 -9.944556 -11.603969 18.272366 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=592) -1 -10.922462 -11.527811 17.134491 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=593) -1 32.387151 5.103425 -3.316862 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=593) -1 31.493742 5.330729 -3.683781 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=593) -1 32.939019 5.257065 -4.096849 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=594) -1 29.473574 0.288728 -7.740666 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=594) -1 30.069670 -0.279026 -8.245349 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=594) -1 28.598494 -0.078225 -7.994097 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=595) -1 27.089250 12.687254 14.004285 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=595) -1 26.350968 12.136608 14.362023 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=595) -1 27.849659 12.108007 14.263206 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=596) -1 -23.274825 4.527676 -11.615325 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=596) -1 -23.962284 4.573931 -10.913169 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=596) -1 -22.920051 3.625362 -11.441256 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=597) -1 27.483677 10.430425 -8.765680 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=597) -1 28.311809 10.341285 -9.294780 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=597) -1 26.823432 10.423092 -9.491543 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=598) -1 -8.878883 11.988152 2.266189 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=598) -1 -9.045969 11.021644 2.175906 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=598) -1 -9.574488 12.192407 2.951195 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=599) -1 18.930326 13.687567 13.613204 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=599) -1 18.088101 13.768368 14.100994 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=599) -1 19.370129 14.529276 13.865604 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=600) -1 7.076903 -9.488927 9.671577 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=600) -1 7.861748 -9.136087 10.116016 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=600) -1 7.252888 -9.205861 8.742941 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=601) -1 6.654123 -14.088939 9.340453 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=601) -1 7.590968 -14.087199 9.033172 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=601) -1 6.781099 -13.863538 10.284107 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=602) -1 -7.205430 -14.700054 19.587896 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=602) -1 -7.401398 -15.261829 18.808814 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=602) -1 -8.058454 -14.780132 20.073587 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=603) -1 1.622798 -13.515459 1.156456 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=603) -1 1.145495 -14.306141 1.498349 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=603) -1 2.007431 -13.176445 1.993459 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=604) -1 -8.802382 -15.821251 -3.927315 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=604) -1 -9.192585 -16.219416 -4.742834 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=604) -1 -8.910844 -14.860697 -4.176112 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=605) -1 -7.602206 13.158587 6.170758 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=605) -1 -8.397599 13.731496 6.114459 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=605) -1 -7.296482 13.211242 5.235692 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=606) -1 11.309556 -10.440280 -6.117000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=606) -1 11.220466 -10.207333 -5.169490 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=606) -1 11.022319 -11.391073 -6.069996 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=607) -1 -12.097037 7.291882 -9.918634 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=607) -1 -12.577552 7.615317 -9.122142 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=607) -1 -11.681407 6.482655 -9.530815 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=608) -1 -26.652144 21.002295 -0.721759 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=608) -1 -27.079211 20.522668 0.028291 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=608) -1 -27.371410 21.651009 -0.916411 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=609) -1 13.570127 19.409378 3.228536 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=609) -1 13.621033 20.259178 3.734012 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=609) -1 14.000810 19.706907 2.389954 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=610) -1 -2.015217 -14.501804 6.866934 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=610) -1 -2.763186 -13.931190 6.598119 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=610) -1 -1.617339 -14.712162 6.001775 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=611) -1 -3.263748 13.347631 5.594345 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=611) -1 -2.523772 13.259840 6.233887 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=611) -1 -2.759669 13.434446 4.756562 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=612) -1 -16.590864 27.562521 -8.478909 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=612) -1 -17.463018 27.531389 -8.022020 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=612) -1 -16.284260 28.450575 -8.178956 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=613) -1 25.431339 11.990026 6.177190 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=613) -1 25.708254 11.145886 5.725435 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=613) -1 25.775887 12.636480 5.543186 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=614) -1 12.827903 17.984430 6.778130 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=614) -1 13.807672 17.961878 6.865155 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=614) -1 12.629709 18.847182 7.172090 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=615) -1 -19.953282 14.029334 -8.299958 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=615) -1 -20.434655 13.219752 -8.609612 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=615) -1 -20.331551 14.085769 -7.390793 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=616) -1 -13.634235 11.842675 -3.072005 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=616) -1 -12.968953 11.121264 -3.120683 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=616) -1 -13.625198 12.020383 -2.101474 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=617) -1 31.531197 4.006937 11.028632 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=617) -1 31.384728 4.774067 10.419652 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=617) -1 31.859936 3.349153 10.373548 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=618) -1 -15.749426 -19.611495 -14.077175 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=618) -1 -15.030229 -20.253577 -13.939017 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=618) -1 -16.184999 -19.646244 -13.193983 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=619) -1 -9.261461 4.753526 11.481793 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=619) -1 -9.382783 5.704046 11.746441 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=619) -1 -8.760055 4.437016 12.265272 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=620) -1 -17.205114 22.652657 -14.946544 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=620) -1 -16.763401 23.121470 -15.694086 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=620) -1 -16.467058 22.055734 -14.676682 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=621) -1 -18.581964 -7.594482 -11.457660 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=621) -1 -17.666004 -7.706142 -11.831983 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=621) -1 -18.680744 -6.622802 -11.619486 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=622) -1 -19.001638 22.317053 -12.873923 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=622) -1 -18.422188 21.915105 -12.186192 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=622) -1 -18.374707 22.320849 -13.631114 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=623) -1 12.091702 -18.354081 -7.989408 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=623) -1 12.719234 -18.857853 -8.567273 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=623) -1 12.663027 -17.552788 -7.834502 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=624) -1 -13.248222 16.190793 8.075188 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=624) -1 -14.081072 16.182788 7.541804 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=624) -1 -13.433812 16.982994 8.634073 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=625) -1 31.444523 7.327431 14.967986 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=625) -1 32.342483 7.233394 14.564076 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=625) -1 31.277228 6.375576 15.177173 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=626) -1 8.819510 -8.741156 4.803385 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=626) -1 9.793359 -8.837191 4.948157 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=626) -1 8.830331 -7.842485 4.376070 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=627) -1 10.601819 14.565408 11.845993 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=627) -1 10.655349 14.324106 10.899626 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=627) -1 10.483355 13.679130 12.250934 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=628) -1 11.488464 -8.772416 5.234142 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=628) -1 11.773696 -9.077962 4.345072 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=628) -1 11.966563 -9.423828 5.797989 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=629) -1 -3.849060 6.386435 8.748980 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=629) -1 -3.051508 6.344308 9.298859 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=629) -1 -4.203959 7.269238 9.014897 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=630) -1 23.774314 -13.333158 -4.721163 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=630) -1 24.174738 -13.103759 -5.605956 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=630) -1 23.284314 -14.150178 -5.009288 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=631) -1 4.685885 4.624123 8.795597 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=631) -1 3.895830 4.157037 8.474871 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=631) -1 5.053655 4.971674 7.956061 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=632) -1 -10.950899 9.350251 -6.226038 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=632) -1 -10.030343 9.662429 -6.407638 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=632) -1 -10.825167 8.390000 -6.443229 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=633) -1 -19.039396 24.051114 -9.104573 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=633) -1 -18.763774 24.265148 -10.012642 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=633) -1 -19.218020 23.089031 -9.192193 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=634) -1 27.838350 -5.211755 10.919880 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=634) -1 28.620986 -4.957229 11.476836 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=634) -1 27.858306 -4.460886 10.285770 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=635) -1 -20.138572 23.633622 4.945896 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=635) -1 -20.162215 23.422681 5.918601 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=635) -1 -20.151766 24.605600 4.993713 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=636) -1 16.903527 -18.739073 -1.812197 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=636) -1 16.799583 -18.487822 -2.771439 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=636) -1 17.884452 -18.856982 -1.803124 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=637) -1 -20.407511 -13.577425 -13.981844 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=637) -1 -20.147877 -14.485756 -14.289854 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=637) -1 -19.536695 -13.125118 -14.165815 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=638) -1 -24.741299 -18.568803 1.362068 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=638) -1 -24.311776 -19.297574 0.861526 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=638) -1 -24.114707 -18.487194 2.111533 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=639) -1 32.718330 -6.415535 -4.209062 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=639) -1 32.822873 -6.451593 -5.170369 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=639) -1 31.934477 -7.014661 -4.097272 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=640) -1 -20.603281 3.635660 10.452746 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=640) -1 -21.482876 3.241571 10.711244 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=640) -1 -20.591787 3.352242 9.508561 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=641) -1 -15.999845 24.126604 -2.138107 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=641) -1 -16.699801 24.685794 -1.733836 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=641) -1 -15.775938 23.542469 -1.402563 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=642) -1 -24.047445 -23.036725 0.812478 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=642) -1 -23.633752 -23.441833 0.009914 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=642) -1 -23.764159 -23.664745 1.492544 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=643) -1 23.618032 11.462651 -13.197266 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=643) -1 23.608283 10.527741 -12.903027 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=643) -1 23.908831 11.901250 -12.368057 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=644) -1 -20.079561 8.464309 -6.898294 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=644) -1 -20.423772 9.018400 -6.156606 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=644) -1 -20.212308 7.570917 -6.494614 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=645) -1 -19.491668 21.305666 -9.513581 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=645) -1 -18.599306 21.293397 -9.954839 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=645) -1 -19.698655 20.332890 -9.636745 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=646) -1 -18.268746 -6.906132 13.464617 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=646) -1 -17.777057 -7.649248 13.071423 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=646) -1 -17.626280 -6.170011 13.327580 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=647) -1 -15.537106 30.729303 0.372570 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=647) -1 -14.821694 30.068452 0.521318 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=647) -1 -16.116043 30.500155 1.142073 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=648) -1 16.010833 15.267782 -3.148993 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=648) -1 16.212364 16.140616 -2.736730 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=648) -1 16.739985 14.734062 -2.766107 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=649) -1 -18.013858 9.189523 1.525629 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=649) -1 -18.266865 9.208282 2.479745 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=649) -1 -18.909563 9.136173 1.122264 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=650) -1 -18.533836 29.478685 -14.528433 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=650) -1 -18.735484 28.517831 -14.602849 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=650) -1 -19.156658 29.849497 -15.165537 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=651) -1 18.898612 1.943554 11.987240 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=651) -1 19.294141 1.932237 12.898622 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=651) -1 18.955839 0.989094 11.778774 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=652) -1 -1.685086 -17.755681 6.197852 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=652) -1 -2.136982 -18.599615 6.338068 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=652) -1 -1.572938 -17.442349 7.119668 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=653) -1 14.085549 -16.251710 4.557446 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=653) -1 13.995698 -15.283133 4.772153 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=653) -1 13.711369 -16.222737 3.639886 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=654) -1 11.536527 3.239144 8.728649 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=654) -1 12.050632 2.831187 9.458736 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=654) -1 11.494319 2.476984 8.107838 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=655) -1 22.342688 -10.577037 -3.256249 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=655) -1 21.805055 -10.922500 -4.016009 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=655) -1 22.505598 -9.667550 -3.600574 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=656) -1 -9.537499 28.119548 -8.186109 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=656) -1 -10.490106 27.934213 -8.076642 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=656) -1 -9.396608 27.786299 -9.098879 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=657) -1 18.172902 13.826135 -2.039521 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=657) -1 17.813879 13.031401 -2.504268 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=657) -1 18.743492 13.379074 -1.376140 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=658) -1 -25.494274 -17.710138 -8.275390 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=658) -1 -25.409117 -16.993635 -8.961390 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=658) -1 -24.634513 -17.599636 -7.824316 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=659) -1 1.013595 11.041766 7.291367 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=659) -1 1.797224 11.481367 7.662977 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=659) -1 1.285517 10.092349 7.416098 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=660) -1 -13.163247 11.630627 -11.990863 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=660) -1 -13.712555 10.907188 -12.402485 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=660) -1 -12.817895 11.110079 -11.217939 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=661) -1 30.881351 -0.074480 17.088260 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=661) -1 31.331443 -0.611344 16.395618 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=661) -1 30.142787 -0.684626 17.305253 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=662) -1 24.239176 -11.796716 -15.617867 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=662) -1 24.633513 -12.577509 -15.179229 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=662) -1 23.401241 -11.716789 -15.102415 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=663) -1 -12.449487 14.027710 -8.143648 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=663) -1 -13.436062 13.961429 -8.195037 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=663) -1 -12.250787 13.072395 -7.956498 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=664) -1 29.920599 5.506773 -4.222029 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=664) -1 29.674243 4.592520 -3.968478 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=664) -1 29.306253 5.650913 -4.975286 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=665) -1 -8.472470 -20.667349 2.286893 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=665) -1 -8.027917 -20.685183 3.177551 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=665) -1 -9.118623 -21.401333 2.442139 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=666) -1 25.891657 -6.089511 12.536834 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=666) -1 26.329545 -5.773313 13.344291 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=666) -1 26.581535 -5.840701 11.865475 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=667) -1 10.802905 -16.335574 -9.394844 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=667) -1 11.161896 -15.743239 -8.691867 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=667) -1 11.108279 -17.201687 -9.052495 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=668) -1 -25.240116 12.195021 4.579952 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=668) -1 -24.762080 11.526495 5.138121 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=668) -1 -25.968686 11.638187 4.253705 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=669) -1 -13.548786 3.870699 -9.879801 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=669) -1 -13.781815 3.012956 -10.283313 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=669) -1 -14.235239 4.444787 -10.293684 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=670) -1 12.654260 14.667994 0.787310 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=670) -1 13.497230 14.286895 1.084262 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=670) -1 12.287758 14.993362 1.640036 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=671) -1 13.967475 -16.310406 -2.852418 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=671) -1 14.093347 -16.969610 -3.577262 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=671) -1 12.980969 -16.276475 -2.851894 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=672) -1 -6.049231 -19.849860 -2.197487 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=672) -1 -6.287787 -19.592994 -1.285737 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=672) -1 -6.167590 -19.000778 -2.667545 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=673) -1 -15.029969 -23.050070 0.734390 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=673) -1 -14.048440 -22.984713 0.856176 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=673) -1 -15.302212 -22.527423 1.538051 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=674) -1 -12.955978 26.107809 -14.316134 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=674) -1 -11.974689 26.136157 -14.261212 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=674) -1 -13.066021 25.504034 -15.083876 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=675) -1 0.243308 -12.098652 -5.280816 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=675) -1 0.815608 -12.897255 -5.204866 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=675) -1 -0.633651 -12.524990 -5.101541 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=676) -1 -11.751208 13.684993 -3.749347 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=676) -1 -12.293215 14.481800 -3.916157 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=676) -1 -12.451273 13.021160 -3.583699 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=677) -1 10.913123 -18.073781 2.934525 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=677) -1 10.344521 -17.827845 2.170454 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=677) -1 11.689294 -18.432579 2.463124 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=678) -1 -16.345920 26.668983 -15.666296 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=678) -1 -15.799474 27.281900 -15.131905 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=678) -1 -17.241500 26.907877 -15.359068 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=679) -1 -7.878713 4.600029 18.335586 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=679) -1 -8.486740 5.342948 18.131552 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=679) -1 -8.523398 3.849642 18.285169 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=680) -1 -15.308281 16.339758 -4.145103 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=680) -1 -15.491514 15.666544 -4.843810 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=680) -1 -14.343174 16.211796 -4.045561 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=681) -1 -11.248406 16.651315 15.800222 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=681) -1 -10.295640 16.574996 16.033100 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=681) -1 -11.607687 15.883779 16.288876 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=682) -1 20.962017 15.300984 -9.339217 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=682) -1 20.507332 15.715127 -8.571145 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=682) -1 20.232732 14.796684 -9.734339 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=683) -1 -8.424693 -13.066362 -13.571651 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=683) -1 -9.093496 -12.378464 -13.753597 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=683) -1 -8.944085 -13.684220 -13.014493 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=684) -1 11.361555 -9.426857 -8.573958 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=684) -1 11.661451 -10.241380 -9.007627 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=684) -1 11.326345 -9.743768 -7.630508 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=685) -1 -22.131830 13.408738 10.470388 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=685) -1 -21.926346 13.695184 9.554017 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=685) -1 -22.685216 12.615078 10.272290 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=686) -1 -22.838319 0.483379 -12.918275 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=686) -1 -23.342440 -0.017441 -12.222744 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=686) -1 -22.486775 1.207404 -12.343076 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=687) -1 19.059324 19.052910 -4.765353 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=687) -1 18.714539 19.006998 -5.687371 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=687) -1 19.428739 18.132165 -4.702185 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=688) -1 -5.252515 12.083476 7.031209 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=688) -1 -4.720213 12.733776 6.518229 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=688) -1 -6.155552 12.444969 6.857810 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=689) -1 19.638583 -17.707038 -4.172108 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=689) -1 19.682581 -18.296958 -3.391825 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=689) -1 20.079911 -16.908153 -3.804291 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=690) -1 -29.654175 -23.697071 -7.853988 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=690) -1 -29.264433 -23.574112 -8.728112 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=690) -1 -29.960271 -22.787499 -7.647126 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=691) -1 10.049264 -1.091648 10.769946 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=691) -1 9.965839 -1.978207 11.155379 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=691) -1 9.362208 -1.155003 10.053088 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=692) -1 10.597933 12.118654 13.090413 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=692) -1 10.417291 11.470818 13.819056 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=692) -1 10.739041 11.466882 12.354644 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=693) -1 21.146326 -7.831258 -15.083885 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=693) -1 21.680628 -7.335986 -14.411201 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=693) -1 21.043317 -8.681201 -14.570129 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=694) -1 32.010068 6.790955 -1.226502 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=694) -1 32.211240 6.165234 -1.956020 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=694) -1 32.257165 6.227096 -0.452754 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=695) -1 18.175800 -12.028972 10.817786 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=695) -1 18.652828 -12.866207 10.614499 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=695) -1 18.702327 -11.403767 10.275931 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=696) -1 -5.105609 8.639567 9.541288 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=696) -1 -5.682203 8.590284 8.739055 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=696) -1 -5.783770 8.449551 10.231532 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=697) -1 -3.173236 7.542561 -6.933950 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=697) -1 -2.265652 7.189004 -7.127218 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=697) -1 -3.703900 6.821432 -7.350984 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=698) -1 -19.142113 24.114768 -6.389607 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=698) -1 -19.568558 23.222542 -6.388446 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=698) -1 -18.983036 24.202051 -7.359474 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=699) -1 18.680214 -7.365388 -16.217155 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=699) -1 18.337900 -8.287914 -16.162532 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=699) -1 19.596349 -7.518398 -15.879374 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=700) -1 34.246688 10.447118 -1.794610 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=700) -1 35.151974 10.165826 -1.610984 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=700) -1 33.748589 9.918701 -1.127837 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=701) -1 -30.155347 -18.949023 -0.136744 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=701) -1 -29.446502 -19.554235 -0.461911 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=701) -1 -29.882694 -18.827838 0.781751 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=703) -1 -1.933373 0.870065 -11.124455 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=703) -1 -1.061204 1.320424 -11.280440 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=703) -1 -1.612980 -0.066722 -11.129874 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=704) -1 9.909301 12.854571 -13.306087 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=704) -1 9.901962 13.542985 -12.605841 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=704) -1 8.968474 12.670916 -13.405204 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=705) -1 15.450950 -17.489538 -6.634911 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=705) -1 14.804315 -16.926321 -7.132106 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=705) -1 14.819013 -17.883440 -5.979858 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=706) -1 -14.245446 14.143268 4.844870 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=706) -1 -14.489235 13.773779 3.960011 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=706) -1 -14.442055 13.334936 5.389887 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=707) -1 -11.776832 15.297382 -10.423292 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=707) -1 -11.937809 14.829644 -9.564019 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=707) -1 -11.112028 15.956666 -10.112693 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=708) -1 7.366234 -13.936071 4.389220 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=708) -1 7.444179 -14.693971 5.012503 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=708) -1 8.317171 -13.800826 4.181267 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=709) -1 18.135486 12.352327 11.368168 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=709) -1 18.395245 12.930067 12.125088 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=709) -1 18.466169 12.925987 10.625437 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=710) -1 -31.733239 -19.752149 -3.703485 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=710) -1 -32.211444 -20.468963 -4.159813 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=710) -1 -31.207019 -19.389411 -4.454083 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=711) -1 -7.861263 26.925151 -6.472265 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=711) -1 -7.386180 27.640518 -6.020609 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=711) -1 -8.507776 27.454528 -7.005466 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=712) -1 9.183783 -3.622048 3.036780 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=712) -1 9.450234 -2.696812 3.262711 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=712) -1 8.345062 -3.440449 2.565819 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=713) -1 0.150955 8.483853 -4.439537 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=713) -1 0.760320 8.468245 -3.658563 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=713) -1 0.485237 7.667446 -4.894624 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=715) -1 36.840961 -2.508307 4.846864 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=715) -1 36.334015 -2.576567 5.687614 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=715) -1 36.579885 -1.595707 4.576746 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=716) -1 16.654271 -5.738527 -15.431147 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=716) -1 17.280897 -6.431207 -15.763810 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=716) -1 16.618899 -6.024677 -14.481986 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=717) -1 -28.993445 22.656573 1.656654 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=717) -1 -29.454504 23.292827 2.221833 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=717) -1 -28.053002 22.916361 1.823759 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=718) -1 29.525502 2.899286 -3.357906 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=718) -1 28.588258 2.842266 -3.061164 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=718) -1 29.422066 2.552916 -4.281057 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=719) -1 -25.048040 -5.861936 -4.031305 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=719) -1 -24.660955 -5.876483 -4.943738 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=719) -1 -24.345443 -5.297988 -3.602628 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=720) -1 -7.085966 7.626986 11.184397 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=720) -1 -8.011246 7.478532 11.514223 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=720) -1 -6.887579 6.723674 10.859856 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=721) -1 31.410664 8.346535 8.053042 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=721) -1 31.492391 7.540506 8.598388 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=721) -1 32.193837 8.245388 7.466060 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=722) -1 29.426447 6.953065 11.501075 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=722) -1 29.584501 7.734119 12.066466 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=722) -1 29.160664 6.302056 12.193737 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=723) -1 -28.699302 -18.814644 -13.323668 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=723) -1 -29.195838 -17.977924 -13.203795 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=723) -1 -28.074410 -18.529772 -14.035079 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=724) -1 -18.714625 16.325698 -9.097242 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=724) -1 -18.181580 16.419879 -8.273792 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=724) -1 -19.198010 15.491782 -8.876058 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=725) -1 -8.282672 12.290364 13.568557 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=725) -1 -8.979102 11.759927 14.034944 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=725) -1 -7.771094 11.535061 13.171839 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=726) -1 -19.191895 16.522172 2.049120 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=726) -1 -18.747689 16.069730 1.290681 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=726) -1 -18.493821 16.399928 2.732646 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=727) -1 -18.466001 14.008834 12.450751 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=727) -1 -19.378452 13.650610 12.582570 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=727) -1 -17.967867 13.329867 12.977191 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=728) -1 -10.667106 12.499314 4.126415 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=728) -1 -10.386784 13.273164 4.662163 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=728) -1 -11.324765 12.095243 4.726391 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=729) -1 -11.610793 8.687120 6.771684 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=729) -1 -11.572915 8.484730 5.815254 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=729) -1 -11.290234 7.828001 7.135265 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=730) -1 -12.436879 19.359711 11.105246 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=730) -1 -13.098824 18.843683 10.591313 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=730) -1 -12.550215 18.988855 11.987998 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=731) -1 -10.301192 6.815024 -6.813650 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=731) -1 -9.427748 6.955273 -7.253429 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=731) -1 -10.646463 6.085411 -7.377653 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=732) -1 -12.187090 -21.570568 4.946371 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=732) -1 -13.131369 -21.600084 5.220257 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=732) -1 -11.747476 -21.622220 5.821220 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=733) -1 -3.208832 -2.911719 20.534587 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=733) -1 -3.538228 -2.375827 21.293682 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=733) -1 -3.383895 -2.280181 19.801614 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=734) -1 2.266202 12.004553 -3.982702 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=734) -1 1.707471 12.100643 -3.170726 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=734) -1 1.577609 11.988359 -4.665122 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=735) -1 -14.654672 31.631129 -4.329378 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=735) -1 -13.902838 31.083000 -4.000590 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=735) -1 -14.949054 32.008398 -3.458812 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=736) -1 30.356260 4.151084 0.265094 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=736) -1 31.173666 4.677708 0.481187 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=736) -1 30.739127 3.596200 -0.459317 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=737) -1 -5.611891 -18.949208 13.296410 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=737) -1 -5.347016 -18.088252 12.877529 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=737) -1 -6.306283 -19.216139 12.648601 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=738) -1 7.600221 -8.461851 7.204595 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=738) -1 6.884318 -7.996799 6.703662 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=738) -1 8.149814 -8.746715 6.430051 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=739) -1 -24.292895 10.247556 6.239665 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=739) -1 -24.351847 9.318991 5.891596 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=739) -1 -23.485802 10.132820 6.803610 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=740) -1 -10.368876 26.481308 -0.260415 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=740) -1 -9.494093 26.683358 0.149998 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=740) -1 -10.054480 25.923796 -1.015366 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=741) -1 -0.946718 -17.456728 -6.607330 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=741) -1 -0.562337 -18.231804 -7.040924 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=741) -1 -1.884248 -17.523517 -6.905521 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=742) -1 7.966731 1.863626 13.014183 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=742) -1 7.102362 1.455125 12.855601 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=742) -1 7.790077 2.782826 12.687881 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=743) -1 28.997483 10.856903 14.441152 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=743) -1 29.870037 10.917819 14.857373 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=743) -1 28.938077 9.877518 14.303611 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=744) -1 -9.621606 2.679235 17.773392 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=744) -1 -9.925131 3.028193 16.909501 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=744) -1 -9.566713 1.719384 17.565969 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=745) -1 1.081164 -5.486546 -7.736289 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=745) -1 1.150521 -4.722477 -7.104292 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=745) -1 2.042200 -5.541734 -7.991602 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=746) -1 19.670723 -14.553825 7.055109 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=746) -1 19.671594 -14.488865 6.066105 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=746) -1 20.622095 -14.302020 7.206440 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=747) -1 33.548649 -0.792030 5.473822 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=747) -1 34.263918 -0.555983 4.836857 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=747) -1 33.596908 -0.003594 6.064091 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=748) -1 -20.317639 21.735967 -6.870695 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=748) -1 -21.255926 22.018152 -6.976971 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=748) -1 -20.111131 21.473422 -7.790815 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=749) -1 -10.982759 23.610102 -14.420100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=749) -1 -10.234555 23.126897 -14.008858 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=749) -1 -10.616273 24.523388 -14.417497 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=750) -1 -9.728637 -2.564812 22.941201 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=750) -1 -9.314476 -1.694473 22.777665 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=750) -1 -10.577390 -2.310959 23.321010 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=751) -1 -29.155213 -12.410218 -8.218784 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=751) -1 -28.650036 -11.559270 -8.250517 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=751) -1 -28.977837 -12.730873 -9.130985 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=752) -1 -27.444811 -6.286716 -5.507249 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=752) -1 -26.681543 -6.326312 -4.891005 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=752) -1 -27.202506 -5.465245 -6.005725 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=753) -1 11.942161 1.836512 14.350329 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=753) -1 11.494288 1.528319 13.520322 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=753) -1 11.135961 2.108338 14.854521 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=754) -1 -1.522194 -2.146656 14.007423 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=754) -1 -1.815724 -1.926844 14.929533 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=754) -1 -0.854274 -2.844922 14.228846 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=755) -1 28.693640 5.547174 -11.410304 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=755) -1 28.136595 6.312918 -11.161293 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=755) -1 28.234452 5.260569 -12.233615 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=756) -1 -0.694024 12.874913 0.750718 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=756) -1 -0.294108 13.464146 0.088895 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=756) -1 0.006079 12.178079 0.806564 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=757) -1 28.071116 -7.522114 -2.943755 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=757) -1 28.314498 -8.211200 -2.279277 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=757) -1 27.498096 -8.078031 -3.530335 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=758) -1 -11.323845 -22.511740 -6.988900 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=758) -1 -11.349253 -23.372192 -6.505633 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=758) -1 -12.048611 -22.634767 -7.617260 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=759) -1 -8.722433 -10.485398 19.218667 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=759) -1 -8.007195 -11.165847 19.156837 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=759) -1 -8.292385 -9.880607 19.875849 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=760) -1 3.108473 0.684740 -12.875727 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=760) -1 2.550587 0.171458 -12.251877 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=760) -1 2.990400 1.587078 -12.505430 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=761) -1 14.078994 21.587637 4.744678 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=761) -1 14.693610 22.266457 4.397559 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=761) -1 14.658808 21.164948 5.416978 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=762) -1 22.064458 -13.277118 -2.567247 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=762) -1 22.730453 -13.380093 -3.290665 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=762) -1 22.032800 -12.297137 -2.523347 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=763) -1 -17.264627 16.012196 3.962501 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=763) -1 -17.606059 16.355291 4.821516 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=763) -1 -17.236295 15.045325 4.200122 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=764) -1 9.704099 -16.990866 0.700487 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=764) -1 10.048416 -16.132329 1.058260 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=764) -1 8.849010 -16.649805 0.327982 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=765) -1 -6.777259 6.812964 16.182844 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=765) -1 -6.042309 6.886350 16.843759 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=765) -1 -6.579153 5.906868 15.843808 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=766) -1 -14.678516 28.099135 -13.966028 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=766) -1 -14.078149 27.318128 -14.114066 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=766) -1 -13.995960 28.734660 -13.636525 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=767) -1 13.757245 5.306449 -21.419186 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=767) -1 13.550087 5.944389 -20.709353 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=767) -1 13.226061 4.535610 -21.118895 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=768) -1 -7.545446 9.213894 15.304367 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=768) -1 -8.514817 9.044089 15.380858 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=768) -1 -7.212715 8.324563 15.587350 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=769) -1 -8.842484 19.198135 -5.110551 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=769) -1 -9.158769 18.721426 -5.908428 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=769) -1 -9.305295 18.671795 -4.414946 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=770) -1 -12.553175 -18.636217 8.011241 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=770) -1 -13.284961 -18.983692 7.454205 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=770) -1 -13.093919 -18.152492 8.685124 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=771) -1 -4.734988 -6.851177 -10.406206 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=771) -1 -3.990770 -6.810714 -9.744723 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=771) -1 -4.842179 -5.878285 -10.550034 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=772) -1 11.028719 7.007983 -11.840491 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=772) -1 11.109326 7.846611 -12.355659 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=772) -1 11.843597 7.081273 -11.294581 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=773) -1 -27.068245 23.748750 -2.648213 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=773) -1 -26.629153 24.098049 -1.832315 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=773) -1 -27.880962 23.375941 -2.231688 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=774) -1 -14.811830 11.863677 6.123906 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=774) -1 -13.905132 11.520811 5.900046 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=774) -1 -15.041986 11.196669 6.822768 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=775) -1 15.194943 5.693213 12.741696 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=775) -1 14.636984 4.959647 13.077644 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=775) -1 15.972707 5.172544 12.420445 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=776) -1 -26.485091 4.162374 3.718402 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=776) -1 -25.897738 3.640928 4.314729 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=776) -1 -26.742982 3.451641 3.088419 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=777) -1 -26.295899 22.421851 -4.852448 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=777) -1 -26.605541 23.064172 -4.156718 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=777) -1 -26.699722 21.602060 -4.458685 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=778) -1 9.478830 4.886153 -16.228038 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=778) -1 9.724995 5.729484 -16.696557 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=778) -1 9.996638 4.260348 -16.797560 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=779) -1 9.274968 -16.139683 -6.897190 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=779) -1 10.158818 -15.685191 -7.001789 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=779) -1 9.102166 -16.344920 -7.836998 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=780) -1 35.933290 7.472976 2.317146 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=780) -1 35.780791 8.165947 2.984654 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=780) -1 35.011037 7.354831 1.984247 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=781) -1 -6.367073 -3.496700 22.045409 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=781) -1 -6.958272 -2.905711 21.528910 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=781) -1 -5.706960 -2.839079 22.360322 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=782) -1 -27.427977 20.437941 -3.408589 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=782) -1 -26.991910 20.296893 -2.546418 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=782) -1 -28.365652 20.308762 -3.155761 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=783) -1 23.566454 9.207552 -0.922838 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=783) -1 24.297140 8.691483 -0.535199 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=783) -1 23.670508 8.999535 -1.872741 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=784) -1 6.863963 5.713572 9.973981 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=784) -1 6.005475 5.305565 9.718827 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=784) -1 7.004885 5.283993 10.844639 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=785) -1 -23.745229 3.181036 -6.733977 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=785) -1 -23.116470 3.058421 -5.965289 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=785) -1 -23.736814 2.254361 -7.071276 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=786) -1 3.371725 4.423089 5.167135 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=786) -1 2.978547 4.560540 4.275180 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=786) -1 4.299843 4.199227 4.894864 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=787) -1 7.976178 -15.840348 6.260067 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=787) -1 8.418066 -15.341054 6.985589 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=787) -1 8.765850 -16.277809 5.862367 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=788) -1 -13.909338 1.664103 -13.701580 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=788) -1 -14.146038 1.496634 -12.762258 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=788) -1 -14.715230 1.279435 -14.138396 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=789) -1 27.772151 -12.705109 -10.260771 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=789) -1 26.849032 -12.408425 -10.101215 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=789) -1 27.766341 -12.689978 -11.251294 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=790) -1 -12.013029 -15.988217 -10.928229 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=790) -1 -12.916259 -15.806221 -10.611837 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=790) -1 -12.225349 -16.530065 -11.732759 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=791) -1 -16.804324 -10.079325 -14.338921 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=791) -1 -15.848261 -10.118839 -14.150264 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=791) -1 -17.061280 -9.284592 -13.841755 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=792) -1 26.990598 3.317543 -2.482899 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=792) -1 26.751318 4.120797 -2.998875 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=792) -1 27.201946 3.742486 -1.617253 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=793) -1 1.632968 8.272135 -2.227503 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=793) -1 2.176887 7.437941 -2.194488 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=793) -1 1.135955 8.164806 -1.391404 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=794) -1 12.437920 8.112468 -15.791308 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=794) -1 13.097846 8.844851 -15.762849 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=794) -1 12.914690 7.436944 -15.261347 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=795) -1 7.609630 -15.479094 -0.179657 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=795) -1 7.906286 -14.566236 -0.383559 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=795) -1 6.679979 -15.436724 -0.442366 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=796) -1 37.922200 -4.424166 3.227040 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=796) -1 37.719883 -3.677577 3.833940 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=796) -1 37.510978 -5.162374 3.693272 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=797) -1 -8.939294 -15.464427 -1.235257 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=797) -1 -8.641853 -15.474335 -2.174761 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=797) -1 -8.909056 -16.440800 -1.055195 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=798) -1 28.784700 5.345603 7.624619 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=798) -1 28.898922 6.232955 7.201397 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=798) -1 27.865419 5.154277 7.365301 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=799) -1 -12.127483 5.435771 -13.712686 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=799) -1 -11.194251 5.532148 -13.460481 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=799) -1 -12.020394 4.868314 -14.523665 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=801) -1 30.921396 -6.708551 2.194127 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=801) -1 30.343393 -6.938945 1.441743 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=801) -1 30.259643 -6.606433 2.910047 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=802) -1 -7.558979 20.839081 -3.430304 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=802) -1 -7.496185 20.099451 -2.768903 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=802) -1 -8.014552 20.321788 -4.153032 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=803) -1 34.934727 3.230359 5.598359 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=803) -1 35.357151 2.935267 4.755148 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=803) -1 35.075635 4.186332 5.540791 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=804) -1 -8.995543 -23.141184 5.182348 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=804) -1 -9.556915 -23.050919 4.388358 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=804) -1 -9.606131 -22.833908 5.880029 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=805) -1 3.497350 -0.218814 -3.879346 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=805) -1 4.077677 0.350973 -4.435965 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=805) -1 2.718903 0.391809 -3.809801 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=806) -1 -26.420317 -1.690501 6.380676 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=806) -1 -27.076348 -2.363947 6.616538 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=806) -1 -25.600560 -2.255681 6.362203 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=807) -1 -12.043971 5.150467 13.741309 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=807) -1 -12.556801 5.107374 12.895175 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=807) -1 -11.709891 6.088475 13.642893 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=808) -1 6.396579 -0.772568 -11.282200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=808) -1 6.686156 -1.553079 -11.813728 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=808) -1 6.249231 -1.221273 -10.416168 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=809) -1 -15.472781 29.845165 -7.627212 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=809) -1 -14.621912 29.728792 -7.131492 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=809) -1 -15.115477 30.336000 -8.407776 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=810) -1 13.883115 -0.063335 14.764068 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=810) -1 14.488717 0.452870 15.312039 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=810) -1 13.154561 0.583016 14.627767 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=811) -1 -10.719313 -17.173768 -8.822892 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=811) -1 -11.069210 -18.078242 -9.045936 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=811) -1 -11.172432 -16.672013 -9.547284 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=812) -1 -19.373931 -21.840948 1.173904 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=812) -1 -20.104622 -21.822396 0.519423 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=812) -1 -18.618944 -22.045808 0.579265 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=813) -1 -16.457668 -4.991553 12.969504 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=813) -1 -16.557310 -4.319247 12.255768 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=813) -1 -15.749292 -5.545594 12.579038 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=814) -1 -0.591490 -16.767088 -0.270330 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=814) -1 -1.202277 -17.458588 0.067490 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=814) -1 -0.248940 -16.412125 0.575819 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=815) -1 -1.839703 -15.788528 -11.008953 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=815) -1 -2.099394 -14.929288 -11.394685 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=815) -1 -1.010056 -15.507744 -10.537207 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=816) -1 11.796032 9.119942 -13.318051 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=816) -1 11.694389 8.936880 -14.281825 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=816) -1 12.667768 8.642839 -13.183446 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=817) -1 22.640671 -2.815464 -18.300615 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=817) -1 22.518023 -1.870411 -18.492162 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=817) -1 21.870646 -2.982875 -17.715189 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=818) -1 -17.240151 21.306936 -11.014074 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=818) -1 -16.895432 20.482372 -11.434519 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=818) -1 -16.388322 21.703636 -10.719590 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=819) -1 26.458587 11.700825 8.706852 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=819) -1 26.918768 10.908982 8.308693 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=819) -1 25.952170 11.967560 7.895864 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=820) -1 -26.566752 0.264874 -0.276383 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=820) -1 -26.950301 0.924275 0.322859 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=820) -1 -27.021211 0.460082 -1.113824 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=821) -1 -6.040860 0.444156 22.549810 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=821) -1 -5.852322 1.295777 22.089500 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=821) -1 -7.018489 0.436605 22.504343 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=822) -1 -7.918583 7.389290 -8.057004 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=822) -1 -7.557941 6.697815 -8.648048 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=822) -1 -7.073132 7.770788 -7.712410 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=823) -1 -22.603868 3.440301 6.816997 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=823) -1 -21.837156 2.956662 7.206636 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=823) -1 -22.107189 4.218383 6.443713 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=824) -1 17.199172 20.077041 -3.016963 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=824) -1 17.918012 19.897624 -3.666902 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=824) -1 17.049846 19.168057 -2.682975 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=825) -1 11.276819 10.412583 11.156798 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=825) -1 12.199984 10.773272 11.124254 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=825) -1 11.436242 9.521209 10.788210 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=826) -1 25.105400 -5.931328 -15.045020 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=826) -1 25.266435 -5.325162 -14.281779 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=826) -1 24.997545 -5.251187 -15.756745 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=827) -1 -7.560873 25.368397 -8.718239 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=827) -1 -6.884497 24.739844 -8.333631 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=827) -1 -7.657330 25.952937 -7.924209 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=828) -1 -10.634832 13.442977 16.372081 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=828) -1 -9.666790 13.554558 16.490886 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=828) -1 -10.633691 12.585537 15.880631 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=829) -1 -16.215955 15.590302 14.863633 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=829) -1 -15.590060 16.271470 15.189297 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=829) -1 -16.729312 16.105216 14.214701 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=830) -1 -16.292101 30.179823 -13.183434 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=830) -1 -17.165433 30.028619 -13.622275 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=830) -1 -15.823635 29.368874 -13.487403 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=831) -1 -18.163118 4.590440 15.252845 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=831) -1 -18.341946 5.547770 15.264904 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=831) -1 -18.464387 4.357631 14.350009 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=832) -1 -23.829875 23.712880 2.164175 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=832) -1 -23.485615 24.217588 1.399373 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=832) -1 -23.012302 23.272425 2.474877 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=833) -1 34.964470 -2.588010 6.869298 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=833) -1 34.482274 -3.446980 6.807452 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=833) -1 34.344246 -2.025871 6.340567 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=834) -1 -8.697796 -4.976852 22.014326 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=834) -1 -9.183572 -4.197961 22.372956 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=834) -1 -7.777410 -4.646396 22.103089 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=835) -1 -31.553377 -17.575768 -1.961940 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=835) -1 -31.084544 -18.040364 -1.220074 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=835) -1 -31.843199 -18.365591 -2.473690 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=836) -1 -17.299434 11.988458 13.794126 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=836) -1 -17.848336 11.217290 14.058770 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=836) -1 -16.623128 11.520660 13.237876 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=837) -1 0.940829 -0.722827 11.239425 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=837) -1 0.323296 -1.347959 10.825687 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=837) -1 0.364878 0.101998 11.213231 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=838) -1 -18.980038 -0.483091 -1.626625 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=838) -1 -18.319340 -0.789467 -0.979463 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=838) -1 -18.547260 0.331729 -1.957222 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=839) -1 19.725486 16.330751 11.313348 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=839) -1 20.205820 15.531837 10.968928 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=839) -1 18.965738 16.340273 10.713016 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=840) -1 32.847280 8.983927 -0.020948 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=840) -1 32.496226 8.245360 -0.596085 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=840) -1 33.083697 8.418692 0.766215 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=841) -1 -9.727774 12.649536 -6.379494 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=841) -1 -10.532741 12.292224 -6.825845 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=841) -1 -9.094717 11.929232 -6.612089 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=842) -1 -14.034595 28.449657 0.634774 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=842) -1 -13.717989 27.980432 1.439937 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=842) -1 -14.903272 28.017642 0.508624 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=843) -1 8.976422 5.223673 14.501236 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=843) -1 9.795708 5.673387 14.223896 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=843) -1 9.331259 4.405974 14.894760 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=844) -1 -22.925737 -12.564328 -14.398576 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=844) -1 -22.026146 -12.956285 -14.469303 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=844) -1 -22.740281 -11.827219 -13.784924 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=845) -1 6.999652 14.421395 -5.342389 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=845) -1 6.029465 14.303472 -5.209818 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=845) -1 6.981446 14.863539 -6.228865 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=846) -1 13.507645 -16.216911 -10.335278 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=846) -1 13.584346 -16.116278 -9.352268 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=846) -1 12.541965 -16.103717 -10.433879 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=847) -1 -0.917848 0.931493 15.316548 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=847) -1 -0.113789 0.425213 15.051548 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=847) -1 -1.111537 1.355197 14.433312 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=848) -1 -24.753273 6.134140 3.069877 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=848) -1 -25.524283 5.557970 3.271611 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=848) -1 -24.789477 6.761323 3.808471 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=849) -1 10.131204 -14.006725 4.326709 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=849) -1 10.265057 -14.929893 4.653908 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=849) -1 10.434335 -13.511891 5.123449 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=850) -1 -9.491647 11.506493 -3.801504 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=850) -1 -8.597197 11.813567 -3.531047 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=850) -1 -9.674499 12.135713 -4.529424 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=851) -1 -24.363353 -26.788930 -4.760491 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=851) -1 -24.052475 -26.350801 -5.592917 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=851) -1 -23.580797 -26.600820 -4.192136 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=852) -1 -21.067679 22.866130 -11.154860 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=852) -1 -20.706385 22.171621 -10.559213 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=852) -1 -20.465356 22.739514 -11.926163 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=853) -1 -30.173043 -18.787304 -5.752094 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=853) -1 -29.433876 -18.518702 -6.358088 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=853) -1 -30.163552 -17.976562 -5.170838 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=854) -1 5.713321 0.798452 -13.364622 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=854) -1 5.920870 0.223134 -12.586010 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=854) -1 4.725035 0.683808 -13.364061 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=855) -1 -20.210402 23.155286 7.553494 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=855) -1 -20.730284 23.480752 8.333805 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=855) -1 -20.182599 22.198223 7.781675 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=856) -1 -17.878945 17.110027 -11.589511 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=856) -1 -17.324962 16.372713 -11.939446 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=856) -1 -18.129323 16.716254 -10.718120 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=857) -1 3.084484 -5.109279 -2.409933 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=857) -1 3.012682 -4.327536 -2.996307 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=857) -1 2.987711 -4.666383 -1.529896 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=858) -1 -5.638944 4.891527 19.772403 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=858) -1 -6.507145 4.787320 19.313858 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=858) -1 -5.237671 5.582662 19.203964 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=859) -1 7.606384 12.216103 -3.849106 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=859) -1 8.487214 12.366982 -3.420953 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=859) -1 7.490868 13.095890 -4.279737 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=860) -1 -11.664897 9.977915 -3.652590 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=860) -1 -11.612129 9.697073 -4.597634 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=860) -1 -10.856056 10.558894 -3.631771 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=861) -1 -12.175536 27.275868 -7.937774 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=861) -1 -12.810911 26.612225 -8.295013 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=861) -1 -11.794561 26.745614 -7.196073 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=862) -1 -11.949456 13.300114 -13.727177 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=862) -1 -11.521291 12.669524 -14.323547 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=862) -1 -12.381795 12.679720 -13.090450 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=863) -1 32.913668 -0.491884 13.000830 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=863) -1 32.857131 0.483713 12.992036 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=863) -1 33.782362 -0.611221 12.547093 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=864) -1 -14.867586 -21.378645 5.492967 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=864) -1 -14.944283 -20.658844 6.171812 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=864) -1 -15.747517 -21.809162 5.642855 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=865) -1 1.819862 -13.197531 -1.485977 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=865) -1 1.795927 -13.352279 -0.507433 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=865) -1 1.207510 -13.915788 -1.770907 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=866) -1 -26.851889 -12.616873 -0.175917 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=866) -1 -25.960253 -12.487185 -0.585850 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=866) -1 -26.987646 -11.691863 0.153895 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=867) -1 9.455945 2.531949 15.215898 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=867) -1 8.920106 2.248651 14.440239 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=867) -1 8.894502 2.239259 15.946534 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=868) -1 -8.288207 -0.097565 12.474543 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=868) -1 -7.729491 -0.314191 11.687209 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=868) -1 -7.650684 0.457809 12.971224 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=869) -1 16.063283 20.248452 6.087899 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=869) -1 16.446473 20.044300 5.208777 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=869) -1 16.033188 19.354863 6.484142 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=870) -1 35.473521 -5.950500 0.294363 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=870) -1 34.928592 -5.832697 -0.509476 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=870) -1 34.854861 -6.457758 0.858279 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=871) -1 -13.029295 11.329557 14.580829 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=871) -1 -13.851436 11.827581 14.759076 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=871) -1 -13.396297 10.509725 14.187219 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=872) -1 -2.291920 -1.304510 16.422392 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=872) -1 -1.896628 -0.415817 16.349078 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=872) -1 -2.846637 -1.209973 17.215069 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=873) -1 -0.558968 -7.544297 -7.516991 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=873) -1 0.034808 -6.751282 -7.613384 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=873) -1 -0.133048 -8.147341 -8.146293 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=874) -1 -20.468349 9.162987 0.243573 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=874) -1 -20.835365 9.072845 1.165596 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=874) -1 -21.120864 8.630570 -0.241375 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=875) -1 -25.373963 22.122066 -7.364844 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=875) -1 -25.776846 22.281217 -6.476708 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=875) -1 -25.972589 21.448918 -7.714901 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=876) -1 13.634811 -11.108262 9.310695 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=876) -1 13.364928 -10.476425 9.998931 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=876) -1 14.365624 -11.577466 9.804058 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=877) -1 27.835078 1.226668 15.425206 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=877) -1 27.710311 0.243415 15.362816 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=877) -1 27.037309 1.504152 14.919832 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=878) -1 -17.335664 13.572578 5.055724 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=878) -1 -17.235019 12.646911 4.744540 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=878) -1 -16.968440 13.488816 5.962110 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=879) -1 -8.004042 22.609945 -1.310964 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=879) -1 -8.024446 21.840900 -0.683007 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=879) -1 -7.820025 22.105859 -2.141952 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=880) -1 -21.495109 8.942906 10.376240 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=880) -1 -21.178277 9.373677 11.208153 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=880) -1 -21.091575 8.053387 10.494927 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=881) -1 -26.600555 16.703326 -0.549716 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=881) -1 -26.512749 15.973634 -1.178447 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=881) -1 -25.808987 16.553365 0.018082 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=882) -1 24.893776 -12.043987 4.991899 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=882) -1 24.507131 -12.751548 4.415361 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=882) -1 24.650517 -12.415305 5.872590 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=883) -1 16.038826 3.898456 -21.685644 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=883) -1 16.517656 4.323719 -20.938573 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=883) -1 15.248502 4.487399 -21.729974 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=884) -1 10.733876 12.929215 -0.038547 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=884) -1 11.461158 13.574881 0.128212 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=884) -1 10.221171 13.053140 0.793122 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=885) -1 -15.336104 10.921111 12.383923 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=885) -1 -15.087295 11.143870 11.467323 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=885) -1 -14.708857 10.192879 12.574814 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=886) -1 -1.826180 -10.272279 15.046208 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=886) -1 -1.971596 -11.249666 15.075703 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=886) -1 -0.887537 -10.275487 14.725950 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=887) -1 21.716346 0.118902 15.730469 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=887) -1 21.822824 -0.671820 15.169630 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=887) -1 22.536124 0.114497 16.240403 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=888) -1 -10.926895 25.257686 2.138937 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=888) -1 -10.914398 25.725276 1.269267 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=888) -1 -10.101088 24.728670 2.037297 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=889) -1 25.709337 -13.514475 12.305248 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=889) -1 25.175949 -13.292030 11.520546 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=889) -1 25.513867 -12.748542 12.884296 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=890) -1 6.399960 3.390148 -10.009026 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=890) -1 6.135689 3.543753 -10.946201 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=890) -1 7.085761 2.695909 -10.153223 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=891) -1 -4.465657 -10.994254 14.996438 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=891) -1 -3.662256 -10.454964 14.827844 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=891) -1 -4.068161 -11.893626 14.934362 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=892) -1 -29.762825 -14.233196 -6.385258 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=892) -1 -29.664657 -14.968324 -7.036311 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=892) -1 -29.543830 -13.475764 -6.994486 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=893) -1 -6.530671 -0.224523 -13.151810 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=893) -1 -6.738767 0.557483 -13.697662 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=893) -1 -7.273686 -0.163164 -12.494763 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=894) -1 -18.002106 7.453069 14.775469 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=894) -1 -17.025379 7.358860 14.789078 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=894) -1 -18.166757 7.230848 13.824222 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=895) -1 25.255778 -10.193915 10.194413 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=895) -1 24.949968 -11.081149 10.470111 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=895) -1 25.262250 -9.730455 11.061357 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=896) -1 11.481105 6.256218 13.484917 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=896) -1 12.082826 6.806299 12.917947 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=896) -1 11.634463 6.740186 14.344315 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=897) -1 -14.087029 -15.230918 18.041892 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=897) -1 -14.066846 -16.049130 18.592430 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=897) -1 -13.313661 -14.760137 18.426041 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=898) -1 20.065296 -14.221782 4.392375 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=898) -1 19.845600 -13.284005 4.203770 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=898) -1 19.796263 -14.621716 3.524033 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=899) -1 9.334130 10.898593 3.191975 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=899) -1 9.356503 11.833844 2.912476 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=899) -1 9.966158 10.499472 2.568319 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=900) -1 -25.418170 -10.431234 -10.110873 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=900) -1 -25.522769 -11.314124 -10.543043 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=900) -1 -24.489255 -10.232693 -10.411783 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=901) -1 27.971173 5.792136 -6.132821 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=901) -1 27.709553 4.995688 -6.653640 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=901) -1 27.821604 6.485372 -6.820720 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=902) -1 -26.618947 -9.923717 0.361515 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=902) -1 -27.260555 -9.202218 0.290238 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=902) -1 -25.791009 -9.406326 0.522357 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=903) -1 34.055181 1.260925 7.182947 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=903) -1 33.517082 1.775803 7.816963 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=903) -1 34.397246 2.002262 6.618585 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=904) -1 -12.391258 19.558831 6.448550 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=904) -1 -11.499719 19.463104 6.064522 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=904) -1 -12.173231 19.843650 7.357900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=905) -1 33.512822 -7.289677 1.774493 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=905) -1 32.587375 -7.032938 2.030990 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=905) -1 33.899516 -7.356038 2.682766 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=906) -1 -26.384450 23.028308 2.200795 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=906) -1 -25.457793 23.389135 2.288688 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=906) -1 -26.223992 22.154284 2.644069 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=907) -1 2.595511 -15.393962 10.690939 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=907) -1 2.010147 -15.505168 9.893651 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=907) -1 2.781012 -16.327211 10.886332 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=908) -1 -22.907707 13.120951 0.914276 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=908) -1 -22.198658 13.640942 0.468707 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=908) -1 -22.654961 12.219975 0.661856 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=909) -1 13.573935 -18.217497 -4.811858 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=909) -1 12.643170 -18.124523 -5.124865 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=909) -1 13.427925 -18.931437 -4.135438 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=910) -1 9.311116 -6.515766 8.107831 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=910) -1 8.619619 -7.171842 7.892454 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=910) -1 8.781920 -5.691960 8.131562 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=911) -1 -27.822374 -16.107833 -10.494340 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=911) -1 -27.793619 -17.106979 -10.574347 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=911) -1 -26.832775 -15.982438 -10.349439 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=912) -1 12.206390 7.551436 15.697995 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=912) -1 13.050156 7.054748 15.842139 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=912) -1 12.556560 8.470562 15.805629 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=913) -1 -25.966315 24.293549 -0.258821 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=913) -1 -25.069716 24.631811 -0.061934 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=913) -1 -26.192406 23.874293 0.595610 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=914) -1 -1.743753 12.753417 3.380840 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=914) -1 -2.033433 11.870347 3.035399 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=914) -1 -1.382841 13.125060 2.542145 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=915) -1 19.234843 -17.219617 -9.011319 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=915) -1 19.823493 -17.239159 -9.797511 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=915) -1 19.686740 -16.539081 -8.472059 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=916) -1 -6.277556 10.844643 -5.395583 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=916) -1 -5.475143 10.566271 -4.880480 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=916) -1 -6.618652 11.528119 -4.770694 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=917) -1 24.126783 -12.828996 10.091468 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=917) -1 24.184492 -12.755785 9.108524 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=917) -1 23.488341 -13.571490 10.160291 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=918) -1 1.490078 -0.382212 -10.943343 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=918) -1 1.830439 -0.788063 -10.125358 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=918) -1 0.670272 -0.906371 -11.077688 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=919) -1 26.736106 -9.417885 -4.379390 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=919) -1 26.087065 -10.096220 -4.072957 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=919) -1 26.582516 -9.485359 -5.353782 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=920) -1 -10.981339 26.054210 -5.745331 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=920) -1 -10.199093 25.565983 -5.395198 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=920) -1 -11.543771 25.290724 -6.009124 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=921) -1 -21.707496 22.298194 3.221513 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=921) -1 -21.197942 22.768184 3.923155 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=921) -1 -22.228228 21.679154 3.783771 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=922) -1 -4.870283 -7.934201 20.965513 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=922) -1 -3.945463 -8.234299 20.790437 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=922) -1 -4.695780 -6.975289 21.118298 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=923) -1 30.208960 2.333194 16.040680 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=923) -1 30.551891 1.532506 16.511638 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=923) -1 29.306031 1.986897 15.813979 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=924) -1 -18.714614 10.764441 -7.684408 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=924) -1 -19.581646 11.088705 -8.033981 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=924) -1 -18.965971 9.826862 -7.509051 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=925) -1 12.619462 -17.274800 6.563802 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=925) -1 13.157064 -18.025559 6.858695 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=925) -1 13.181522 -16.932092 5.825867 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=926) -1 -20.556551 6.659657 -14.589739 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=926) -1 -20.024846 5.940611 -15.003991 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=926) -1 -21.454613 6.256115 -14.674863 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=927) -1 -13.552704 8.641264 -7.982364 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=927) -1 -13.517995 8.845071 -7.025699 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=927) -1 -14.398096 8.128870 -8.012411 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=929) -1 -30.026276 -24.685073 -5.367519 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=929) -1 -29.608701 -25.584587 -5.341757 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=929) -1 -29.882913 -24.482858 -6.326007 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=930) -1 23.664664 -7.819777 -16.389786 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=930) -1 22.742400 -7.834675 -16.063398 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=930) -1 24.064761 -7.177357 -15.762044 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=931) -1 -23.314698 25.148732 -0.122533 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=931) -1 -22.581358 25.777606 0.070502 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=931) -1 -23.359950 25.220223 -1.089296 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=932) -1 -15.468507 4.140905 13.069910 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=932) -1 -16.009541 3.724668 12.356496 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=932) -1 -14.702797 4.442757 12.524812 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=933) -1 -28.686901 18.407461 -0.444057 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=933) -1 -27.961553 17.736205 -0.496195 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=933) -1 -28.443717 18.838331 0.405223 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=934) -1 0.438662 -3.240430 -9.354893 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=934) -1 0.583681 -4.089984 -8.892304 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=934) -1 1.102418 -2.677815 -8.898273 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=935) -1 -9.206282 22.332266 -12.798516 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=935) -1 -8.728063 22.687853 -12.017075 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=935) -1 -10.044024 22.047435 -12.377435 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=936) -1 -25.858316 0.908056 7.136924 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=936) -1 -26.047674 1.260082 6.248522 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=936) -1 -26.067475 -0.042557 6.997989 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=937) -1 21.531522 15.059614 -1.781057 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=937) -1 20.710808 15.598542 -1.856675 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=937) -1 21.825971 15.297981 -0.890309 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=938) -1 -28.339274 -23.466677 -3.635842 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=938) -1 -28.941119 -23.974836 -4.234054 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=938) -1 -29.007887 -22.872050 -3.216529 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=939) -1 24.322071 -0.980750 -12.570082 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=939) -1 24.988756 -1.340809 -11.956648 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=939) -1 23.497109 -1.329842 -12.169881 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=940) -1 23.785192 12.091939 12.165349 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=940) -1 22.809866 12.059958 12.346841 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=940) -1 23.810048 12.967782 11.702571 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=941) -1 3.251317 -2.033937 11.928967 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=941) -1 2.467175 -1.509050 11.646356 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=941) -1 3.617943 -2.268681 11.049584 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=942) -1 -25.932403 4.683376 -6.625320 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=942) -1 -25.171623 4.051253 -6.678847 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=942) -1 -26.644891 4.039811 -6.392564 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=943) -1 23.460457 16.055957 13.183533 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=943) -1 24.353374 15.632285 13.267259 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=943) -1 23.666052 16.951027 13.489342 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=944) -1 -3.385655 4.676745 16.690032 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=944) -1 -3.744823 3.760802 16.732352 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=944) -1 -2.577864 4.490444 16.139836 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=945) -1 -9.611957 -14.847452 -11.827064 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=945) -1 -9.170328 -14.999091 -10.960443 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=945) -1 -10.508908 -15.195886 -11.611448 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=946) -1 14.517183 6.153985 15.539236 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=946) -1 14.128990 5.311263 15.211510 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=946) -1 15.125525 6.358408 14.805900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=947) -1 -4.788126 -4.074682 -10.770985 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=947) -1 -3.814321 -3.981876 -10.914509 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=947) -1 -5.021623 -3.111381 -10.721955 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=948) -1 -17.167005 1.763161 -17.181997 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=948) -1 -18.134158 1.777451 -17.068041 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=948) -1 -16.937233 2.672476 -16.883289 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=949) -1 22.338065 11.512033 -0.415982 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=949) -1 22.756006 11.704045 0.468472 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=949) -1 22.796770 10.645881 -0.592576 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=950) -1 -3.202022 -16.898472 -13.100420 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=950) -1 -2.632906 -16.687741 -12.324753 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=950) -1 -2.704579 -17.621040 -13.505307 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=951) -1 -24.052930 -5.400029 1.035893 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=951) -1 -24.081991 -4.633963 1.653561 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=951) -1 -23.176865 -5.768568 1.266416 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=952) -1 -8.454447 10.254342 -6.949354 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=952) -1 -7.645675 10.428631 -6.407921 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=952) -1 -8.126588 9.519771 -7.504236 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=953) -1 -21.145882 11.617010 -8.563100 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=953) -1 -21.321782 10.741626 -8.996518 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=953) -1 -21.846567 11.592210 -7.873614 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=954) -1 27.202149 -13.923666 -7.928947 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=954) -1 27.653581 -13.548431 -8.728888 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=954) -1 26.581120 -14.538684 -8.393237 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=955) -1 -12.261349 -19.331290 14.309607 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=955) -1 -12.005695 -20.122032 13.773265 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=955) -1 -11.928479 -18.629881 13.687008 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=956) -1 20.729359 -17.018111 -11.363345 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=956) -1 19.893954 -16.598463 -11.724825 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=956) -1 20.976323 -17.518007 -12.184944 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=957) -1 3.420344 9.816933 -0.096117 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=957) -1 4.325401 9.511697 0.136401 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=957) -1 3.519578 9.897467 -1.068847 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=958) -1 26.767134 -11.267564 -1.365554 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=958) -1 26.605193 -12.169526 -1.056400 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=958) -1 26.132254 -11.215184 -2.118482 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=959) -1 -3.740102 -17.112346 9.903877 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=959) -1 -4.204780 -16.877714 10.748367 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=959) -1 -4.548942 -17.191790 9.320765 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=960) -1 3.817236 3.830377 -9.225944 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=960) -1 4.787663 3.706454 -9.319023 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=960) -1 3.729890 3.839706 -8.252669 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=961) -1 29.227525 -10.425574 -4.111012 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=961) -1 28.309311 -10.060484 -4.199264 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=961) -1 29.162903 -11.121167 -4.814845 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=962) -1 25.599698 10.082860 -10.827449 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=962) -1 24.835063 9.632415 -11.266628 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=962) -1 25.214321 10.992628 -10.762277 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=963) -1 -10.076205 -23.159151 -3.432782 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=963) -1 -9.148130 -22.840239 -3.387546 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=963) -1 -9.995435 -23.959594 -2.850082 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=964) -1 7.627227 4.411779 12.279259 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=964) -1 8.535245 4.555548 11.880550 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=964) -1 7.804107 4.854871 13.149269 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=965) -1 -20.379550 21.489030 1.015752 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=965) -1 -20.835117 21.636202 1.875773 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=965) -1 -19.520227 21.136877 1.333077 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=966) -1 -8.170618 -9.301769 -12.920575 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=966) -1 -7.582422 -8.501573 -12.890550 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=966) -1 -7.472275 -9.977574 -12.694441 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=967) -1 -6.668632 -17.605845 -3.798646 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=967) -1 -7.149565 -18.140191 -4.489694 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=967) -1 -7.336748 -16.886743 -3.694159 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=968) -1 -14.728426 4.294694 -13.888581 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=968) -1 -14.416767 3.360677 -13.923280 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=968) -1 -13.864846 4.758214 -13.925065 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=969) -1 -25.231588 18.093629 2.815131 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=969) -1 -25.155935 17.450031 3.565161 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=969) -1 -25.235496 17.445101 2.068275 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=970) -1 -10.312876 -25.415610 -2.074682 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=970) -1 -10.723727 -25.487728 -1.183071 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=970) -1 -10.984885 -25.905460 -2.602005 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=971) -1 1.137896 -15.747061 8.508634 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=971) -1 1.335059 -15.933515 7.563307 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=971) -1 0.204398 -16.060307 8.547254 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=972) -1 -9.295930 -14.931091 13.010478 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=972) -1 -9.611773 -15.421815 13.797393 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=972) -1 -8.501841 -15.479757 12.788044 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=973) -1 -15.572668 1.719569 18.417016 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=973) -1 -15.784740 0.797385 18.139647 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=973) -1 -15.388844 1.558191 19.372890 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=974) -1 32.244294 2.078540 9.190555 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=974) -1 31.932883 1.144403 9.134912 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=974) -1 31.608372 2.481979 8.536972 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=975) -1 3.688093 9.926697 -2.896855 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=975) -1 3.269491 10.685947 -3.366514 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=975) -1 2.901730 9.341325 -2.800767 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=976) -1 -15.209656 13.099304 15.195834 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=976) -1 -15.969893 12.619736 14.785059 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=976) -1 -15.584693 14.018532 15.152619 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=977) -1 36.647161 4.824237 2.061289 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=977) -1 36.546706 5.799182 2.139906 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=977) -1 36.117262 4.669659 1.243583 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=978) -1 -18.824448 4.097914 12.556628 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=978) -1 -18.111295 3.659513 12.027166 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=978) -1 -19.590602 3.910342 11.965690 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=979) -1 -14.273650 1.343123 20.787619 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=979) -1 -13.675814 2.078647 21.036413 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=979) -1 -13.618610 0.672443 20.509130 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=980) -1 -6.749388 -2.643157 -14.310772 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=980) -1 -6.304475 -2.449518 -15.149767 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=980) -1 -6.636244 -1.778023 -13.845451 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=981) -1 -28.087395 -18.039337 -7.316682 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=981) -1 -27.183611 -17.782289 -7.617810 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=981) -1 -28.602489 -17.293866 -7.711072 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=982) -1 23.601084 14.631099 -9.139457 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=982) -1 23.729965 14.785778 -8.178902 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=982) -1 22.642448 14.857711 -9.217405 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=983) -1 35.732962 -0.142458 3.980167 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=983) -1 35.604255 -0.117268 2.996292 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=983) -1 36.025445 0.792153 4.105808 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=984) -1 -19.530556 30.083548 -5.766894 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=984) -1 -18.568230 30.313667 -5.646223 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=984) -1 -19.827211 30.874668 -6.243158 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=985) -1 -1.093216 9.832381 -2.159300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=985) -1 -0.971669 9.429096 -3.043291 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=985) -1 -0.836145 9.076544 -1.586418 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=986) -1 -26.180407 -3.123200 -12.199094 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=986) -1 -26.724004 -2.933851 -11.409152 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=986) -1 -25.931427 -4.064770 -11.996153 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=987) -1 6.598312 -10.093703 3.955052 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=987) -1 6.241419 -9.199568 3.737489 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=987) -1 7.484262 -9.818766 4.299352 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=988) -1 7.882624 1.049736 -14.922784 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=988) -1 8.381729 0.341903 -14.446313 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=988) -1 7.014339 0.959241 -14.450668 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=989) -1 -5.756129 8.641846 -7.070818 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=989) -1 -5.773822 9.442146 -6.508304 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=989) -1 -4.811784 8.390026 -6.991607 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=990) -1 -5.775273 -13.150766 -13.939324 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=990) -1 -6.744523 -13.174493 -13.704568 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=990) -1 -5.851401 -13.011587 -14.898070 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=991) -1 17.627762 4.784175 -19.633104 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=991) -1 17.435642 5.201024 -18.752710 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=991) -1 18.379050 5.330471 -19.914286 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=992) -1 -10.285045 17.691201 -6.959914 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=992) -1 -11.165518 18.037444 -6.687428 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=992) -1 -10.387878 16.751703 -6.656486 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=993) -1 23.013922 10.705348 6.422609 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=993) -1 23.801054 11.293549 6.485496 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=993) -1 23.482157 9.858895 6.182903 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=994) -1 29.774171 -4.032123 12.381543 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=994) -1 29.556127 -3.471823 13.165674 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=994) -1 30.490479 -3.471695 11.992915 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=995) -1 13.399145 7.653496 12.107952 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=995) -1 13.817480 8.442869 12.528137 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=995) -1 14.125750 6.997860 12.258444 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=996) -1 5.661782 3.433392 -12.658494 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=996) -1 5.686590 2.485299 -12.936896 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=996) -1 6.368299 3.781564 -13.256038 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=997) -1 -16.108363 15.233690 -12.524381 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=997) -1 -15.419094 14.790498 -11.962366 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=997) -1 -16.500487 14.451377 -12.947986 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=998) -1 -12.416855 10.913164 5.538186 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=998) -1 -12.152826 10.230400 6.209857 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=998) -1 -12.257202 10.359260 4.724960 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=999) -1 -23.431137 11.118610 9.894379 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=999) -1 -23.205339 10.409464 10.531944 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=999) -1 -22.980559 10.748338 9.090470 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1000) -1 -2.868924 -6.495700 -8.537799 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1000) -1 -2.071525 -6.963678 -8.201308 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1000) -1 -2.897904 -5.749635 -7.890966 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1002) -1 -19.842228 1.679705 -16.075904 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1002) -1 -20.022810 0.715385 -16.233698 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1002) -1 -19.317589 1.578456 -15.229644 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1003) -1 -20.590093 -5.232780 -14.107105 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1003) -1 -19.998928 -5.307750 -13.323016 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1003) -1 -19.997864 -4.692465 -14.690418 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1004) -1 -8.635782 -15.340399 -9.292876 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1004) -1 -9.344326 -14.702786 -9.028490 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1004) -1 -9.086147 -16.181051 -9.053081 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1005) -1 10.872649 5.814988 9.047440 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1005) -1 10.071282 5.867521 8.488002 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1005) -1 11.151209 4.883530 8.849396 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1006) -1 -24.716541 -1.412387 0.690740 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1006) -1 -25.430756 -0.827184 0.322613 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1006) -1 -24.800825 -2.160588 0.050033 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1007) -1 -21.128017 8.814905 2.764740 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1007) -1 -21.522390 8.123506 3.355671 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1007) -1 -20.356261 9.067437 3.321629 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1008) -1 13.048918 -15.780082 2.102608 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1008) -1 13.566701 -15.102990 1.614113 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1008) -1 12.138494 -15.427599 1.962831 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1009) -1 -0.756782 -7.195798 18.618675 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1009) -1 -1.338752 -6.419168 18.827137 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1009) -1 -1.330779 -7.632906 17.941312 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1010) -1 -18.775208 -7.524837 16.016453 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1010) -1 -18.592316 -7.230707 15.086040 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1010) -1 -18.239485 -8.357369 16.006173 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1011) -1 -25.937991 -20.269302 -9.202525 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1011) -1 -25.762713 -19.337316 -8.929467 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1011) -1 -26.577974 -20.525664 -8.501581 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1012) -1 -27.090770 -2.586031 -9.615118 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1012) -1 -26.170143 -2.921809 -9.482957 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1012) -1 -27.346215 -2.492131 -8.655887 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1013) -1 4.660660 -7.227699 -1.624853 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1013) -1 5.418474 -6.649278 -1.371655 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1013) -1 4.103058 -6.541798 -2.079002 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1014) -1 -20.383043 -0.937435 -16.201051 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1014) -1 -20.910796 -1.224288 -15.416391 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1014) -1 -20.657109 -1.631819 -16.840893 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1015) -1 13.525536 0.972290 -18.961855 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1015) -1 12.704799 0.800362 -18.432627 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1015) -1 14.102934 0.279822 -18.531884 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1016) -1 36.142736 2.497555 3.289715 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1016) -1 36.435400 3.350356 2.874125 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1016) -1 35.998278 1.970749 2.471776 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1017) -1 20.956696 7.868556 -12.399762 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1017) -1 21.047241 6.887400 -12.353411 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1017) -1 20.498100 7.939254 -13.274971 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1018) -1 -2.648908 -16.752961 13.449266 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1018) -1 -2.587925 -17.740758 13.349721 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1018) -1 -3.532663 -16.630189 13.009343 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1019) -1 -22.336551 7.752925 -4.268007 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1019) -1 -21.693907 7.096729 -4.615700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1019) -1 -23.155254 7.203743 -4.284336 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1020) -1 23.324313 11.865582 2.015821 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1020) -1 22.715684 11.830415 2.796769 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1020) -1 24.178106 11.748567 2.451607 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1021) -1 9.259258 -4.386934 -14.851717 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1021) -1 10.201290 -4.312935 -14.586508 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1021) -1 8.912881 -4.925819 -14.106405 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1022) -1 19.472359 -14.244164 9.832652 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1022) -1 20.404269 -14.508734 10.012307 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1022) -1 19.455114 -14.373479 8.857383 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1023) -1 -5.557968 3.259501 -10.942788 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1023) -1 -4.685931 3.480362 -11.368565 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1023) -1 -5.326553 2.349170 -10.629841 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1024) -1 20.674759 15.798592 13.783244 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1024) -1 21.635874 15.836818 13.608656 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1024) -1 20.330474 16.146727 12.926966 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1025) -1 21.672587 -14.277518 1.503154 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1025) -1 21.550500 -13.872341 0.634322 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1025) -1 20.745601 -14.553699 1.711143 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1026) -1 14.909301 -4.810337 15.768522 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1026) -1 15.728062 -5.169523 15.368364 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1026) -1 14.691446 -4.101428 15.124596 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1027) -1 12.733115 13.417547 14.213813 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1027) -1 13.387469 13.011561 13.590593 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1027) -1 11.913382 12.983801 13.877700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1028) -1 -15.408244 15.898499 6.542380 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1028) -1 -15.999403 15.226647 6.964229 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1028) -1 -15.055472 15.342140 5.803239 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1029) -1 1.819499 7.607941 4.044655 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1029) -1 2.429910 7.573234 4.811413 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1029) -1 1.988966 6.723879 3.651809 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1030) -1 -18.022747 25.484931 -1.003423 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1030) -1 -18.719040 25.867939 -1.592232 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1030) -1 -18.602464 24.909683 -0.443266 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1031) -1 17.451415 10.615080 13.338021 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1031) -1 18.406260 10.370035 13.383367 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1031) -1 17.488838 11.185353 12.526766 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1032) -1 -17.716345 -14.459266 -16.368552 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1032) -1 -18.426178 -14.947018 -15.889097 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1032) -1 -17.703782 -13.633836 -15.828639 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1033) -1 -28.243448 -20.625540 -1.010599 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1033) -1 -27.603000 -20.296144 -1.684815 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1033) -1 -27.655504 -21.281666 -0.551696 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1034) -1 -22.276336 2.472278 -14.850257 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1034) -1 -22.527045 1.685637 -14.327261 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1034) -1 -21.511061 2.127079 -15.349374 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1035) -1 0.259465 -15.308116 -2.411584 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1035) -1 0.022104 -15.869192 -1.628576 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1035) -1 -0.413976 -15.652269 -3.047145 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1036) -1 -15.800537 27.273255 3.796519 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1036) -1 -15.032183 27.147947 3.195585 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1036) -1 -15.325153 27.258285 4.659077 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1037) -1 5.926713 5.634740 6.536506 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1037) -1 6.851744 5.858108 6.757725 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1037) -1 6.065954 5.045239 5.759175 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1038) -1 -11.730155 26.066491 -11.137350 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1038) -1 -12.071438 26.978868 -11.123470 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1038) -1 -10.782322 26.232774 -10.922839 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1039) -1 12.387334 11.770638 -13.311326 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1039) -1 12.128973 10.821647 -13.218739 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1039) -1 11.487563 12.157882 -13.457818 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1040) -1 12.508673 3.338553 -19.938773 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1040) -1 12.950790 2.473950 -19.758647 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1040) -1 11.772916 3.275510 -19.288688 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1041) -1 -26.395057 0.123003 4.290780 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1041) -1 -25.403440 0.128818 4.276141 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1041) -1 -26.536745 -0.625605 4.910132 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1042) -1 -10.192455 -18.326409 -13.832191 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1042) -1 -9.811509 -19.184948 -13.603549 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1042) -1 -9.422562 -17.733622 -13.641206 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1043) -1 -10.193153 8.592721 15.505073 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1043) -1 -10.132992 7.806610 16.094749 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1043) -1 -10.665441 8.177155 14.738372 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1044) -1 -25.183549 12.172313 8.061867 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1044) -1 -25.029005 11.407400 7.466012 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1044) -1 -24.716167 11.855916 8.866292 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1045) -1 -22.774578 -5.939655 -12.579648 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1045) -1 -22.037727 -5.743586 -13.203912 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1045) -1 -22.367361 -6.686838 -12.083524 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1046) -1 -30.089540 -16.755946 -4.054873 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1046) -1 -30.357816 -15.816447 -4.177964 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1046) -1 -30.660915 -16.984080 -3.281850 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1047) -1 -8.285515 15.495751 3.309074 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1047) -1 -7.552101 14.846802 3.363966 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1047) -1 -8.638021 15.281525 2.418401 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1048) -1 -10.156207 -10.779624 -13.860993 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1048) -1 -10.782630 -10.521253 -13.149046 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1048) -1 -9.387480 -10.201198 -13.599137 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1049) -1 -1.463038 12.187049 7.277097 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1049) -1 -1.979041 11.669580 7.927359 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1049) -1 -0.567143 11.811299 7.419457 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1050) -1 13.597264 18.309095 -5.441202 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1050) -1 13.680159 18.573454 -4.496417 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1050) -1 14.059968 17.439390 -5.402713 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1051) -1 -23.248453 3.868036 2.898218 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1051) -1 -23.766982 3.452678 3.620780 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1051) -1 -23.718343 4.731380 2.831292 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1052) -1 -27.048678 -17.533070 -15.038792 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1052) -1 -27.285860 -16.587508 -14.936083 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1052) -1 -26.092109 -17.443430 -15.254404 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1053) -1 -7.721792 27.386769 -1.649821 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1053) -1 -8.052733 26.508730 -1.943064 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1053) -1 -7.539064 27.190543 -0.706735 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1054) -1 18.803783 -0.077543 -18.468826 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1054) -1 19.753709 -0.056207 -18.206899 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1054) -1 18.795001 0.674047 -19.105850 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1055) -1 -24.470659 16.215393 1.045876 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1055) -1 -24.494482 15.391643 1.590694 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1055) -1 -23.494492 16.349062 1.008733 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1056) -1 11.872903 -3.685440 -14.256808 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1056) -1 11.757815 -2.916930 -14.858961 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1056) -1 12.760413 -4.000808 -14.569984 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1057) -1 23.524671 14.510951 10.926329 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1057) -1 22.567898 14.464919 10.654135 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1057) -1 23.432114 15.168189 11.658038 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1058) -1 29.438628 9.590438 -10.473109 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1058) -1 30.117900 9.312209 -11.122082 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1058) -1 28.740848 8.927971 -10.672957 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1059) -1 -5.257816 2.672215 21.229511 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1059) -1 -5.498926 3.508119 20.755788 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1059) -1 -4.292441 2.712335 21.163404 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1060) -1 -18.929518 9.962320 14.710338 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1060) -1 -19.176846 10.080560 15.640559 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1060) -1 -18.598394 9.028507 14.736768 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1061) -1 -24.940710 4.800765 -9.445725 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1061) -1 -25.394349 5.010459 -8.603587 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1061) -1 -25.067663 3.814675 -9.449744 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1062) -1 9.128630 -14.238218 8.152086 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1062) -1 9.569674 -13.523985 7.636292 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1062) -1 9.935843 -14.774310 8.377492 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1063) -1 21.305080 -0.327553 -17.451279 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1063) -1 20.980336 -1.216240 -17.164542 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1063) -1 21.676224 -0.014576 -16.595930 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1064) -1 35.939610 -1.810678 0.010920 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1064) -1 36.621211 -2.526181 0.084671 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1064) -1 35.391677 -2.204591 -0.714076 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1065) -1 -17.815028 -18.251002 -15.283730 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1065) -1 -17.077859 -18.810569 -14.946225 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1065) -1 -17.312794 -17.695495 -15.924210 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1066) -1 -7.851282 18.823038 -1.600501 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1066) -1 -7.743820 17.913778 -1.222225 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1066) -1 -7.874933 19.340371 -0.763742 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1067) -1 16.474048 22.740571 3.813290 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1067) -1 16.683629 23.087374 2.934590 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1067) -1 16.715895 21.790205 3.696458 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1068) -1 2.281872 -10.550414 -1.914915 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1068) -1 3.189096 -10.444525 -1.553145 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1068) -1 2.141958 -11.510284 -1.739287 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1069) -1 -19.362828 4.277516 -15.148378 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1069) -1 -19.628908 3.558129 -15.766952 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1069) -1 -19.487627 3.791432 -14.294052 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1070) -1 9.353375 -5.560379 -10.073465 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1070) -1 10.296360 -5.506005 -9.802793 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1070) -1 9.177972 -6.508087 -9.870598 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1071) -1 -8.607659 23.890352 1.295609 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1071) -1 -8.464762 23.469086 0.420744 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1071) -1 -8.249033 23.173544 1.877963 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1072) -1 -13.460119 -7.785082 -14.847414 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1072) -1 -13.855134 -8.497926 -14.291837 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1072) -1 -12.802600 -8.338011 -15.345266 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1073) -1 -15.198503 12.646559 2.666009 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1073) -1 -14.747998 11.938698 2.131952 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1073) -1 -15.528051 13.202135 1.926434 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1074) -1 -11.526024 -19.241291 3.724454 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1074) -1 -11.873350 -20.092159 4.084154 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1074) -1 -11.116749 -18.887353 4.554644 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1075) -1 -19.105777 -3.555218 -15.647371 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1075) -1 -19.638863 -3.525139 -16.471774 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1075) -1 -18.968974 -2.603853 -15.492222 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1077) -1 28.807328 5.459761 13.695930 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1077) -1 28.613664 4.589288 13.284206 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1077) -1 29.554524 5.187254 14.287801 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1078) -1 -11.068072 -20.431410 9.421616 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1078) -1 -10.621398 -19.826316 10.066916 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1078) -1 -11.631440 -19.770424 8.957017 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1079) -1 24.431491 11.676546 -3.428407 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1079) -1 24.807280 12.348881 -4.052017 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1079) -1 23.538344 12.072849 -3.297662 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1080) -1 -22.993076 5.738429 -7.045218 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1080) -1 -23.222878 4.774766 -7.109326 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1080) -1 -23.561640 5.970209 -6.271388 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1081) -1 -7.967619 20.075231 -13.698904 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1081) -1 -7.585999 20.273364 -14.561347 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1081) -1 -8.439720 20.911726 -13.494808 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1082) -1 -27.665610 -18.703346 -10.827005 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1082) -1 -28.016439 -18.962268 -11.707670 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1082) -1 -27.133928 -19.482653 -10.598637 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1083) -1 -6.008407 23.561515 -7.590565 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1083) -1 -6.209144 23.175833 -6.715839 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1083) -1 -5.969930 22.757537 -8.146085 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1084) -1 14.867398 -0.881340 -17.560716 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1084) -1 14.789069 -1.216867 -16.641880 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1084) -1 15.680292 -1.383925 -17.833659 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1085) -1 -4.412067 -5.265979 21.299121 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1085) -1 -5.233162 -4.835458 21.632905 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1085) -1 -3.858801 -4.464134 21.159385 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1086) -1 6.433076 -9.491149 1.146191 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1086) -1 6.262961 -8.735120 1.761530 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1086) -1 6.687921 -10.172769 1.801232 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1087) -1 0.278803 9.334067 2.729426 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1087) -1 0.875284 8.663018 3.162525 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1087) -1 0.380446 10.053567 3.413151 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1089) -1 -17.286074 -22.208611 -0.576068 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1089) -1 -16.861145 -21.354589 -0.767995 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1089) -1 -16.535582 -22.673399 -0.128316 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1090) -1 -20.451218 8.675430 6.228888 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1090) -1 -20.981935 8.085668 5.629787 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1090) -1 -20.169545 8.004263 6.891049 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1091) -1 -26.605867 -19.629493 -2.968629 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1091) -1 -27.056144 -18.745214 -3.025508 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1091) -1 -25.767415 -19.330167 -2.534138 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1092) -1 -24.021087 -0.816953 -10.901559 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1092) -1 -24.058131 -1.697171 -10.470353 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1092) -1 -24.909446 -0.476892 -10.682870 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1093) -1 -15.083630 13.793507 -8.661707 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1093) -1 -16.001183 13.416988 -8.761676 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1093) -1 -14.858077 13.871710 -9.619216 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1094) -1 -13.006255 19.565072 -13.687751 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1094) -1 -12.125274 19.121512 -13.781589 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1094) -1 -13.557029 18.754119 -13.534800 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1095) -1 -27.507829 2.588509 -5.939788 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1095) -1 -28.308373 2.242845 -5.489461 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1095) -1 -27.408980 1.891051 -6.636216 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1096) -1 -22.879205 2.405755 10.988225 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1096) -1 -23.409539 2.403967 10.144715 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1096) -1 -23.489141 1.927601 11.567421 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1097) -1 27.411211 11.994540 -6.505694 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1097) -1 27.461529 11.556560 -7.390839 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1097) -1 27.427838 11.173787 -5.942239 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1098) -1 25.168766 -6.482171 -18.314947 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1098) -1 24.551320 -6.977131 -17.739067 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1098) -1 25.085611 -5.584529 -17.942114 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1099) -1 -23.140067 -25.235690 -6.631868 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1099) -1 -22.260552 -25.151448 -7.070941 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1099) -1 -23.077266 -24.477952 -6.006654 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1100) -1 -16.986216 30.813191 -5.607432 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1100) -1 -16.236169 31.185363 -5.088025 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1100) -1 -16.485344 30.486523 -6.392961 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1101) -1 -13.694154 -17.699692 19.132591 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1101) -1 -13.137547 -18.287678 19.656051 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1101) -1 -13.461861 -17.982483 18.217275 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1102) -1 -2.278728 -8.621288 20.452120 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1102) -1 -1.887320 -9.498481 20.356417 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1102) -1 -1.655779 -8.073791 19.929273 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1103) -1 25.529491 7.967703 -5.464096 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1103) -1 24.858093 8.268327 -4.816997 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1103) -1 25.235547 7.051215 -5.622387 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1104) -1 -10.043588 -16.755618 14.859660 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1104) -1 -10.476960 -17.172570 14.064847 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1104) -1 -9.184121 -17.237544 14.832582 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1105) -1 -29.106575 0.400743 -5.199555 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1105) -1 -28.678369 0.372658 -6.086426 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1105) -1 -29.579442 -0.473441 -5.241190 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1106) -1 -22.741030 12.003553 -6.337761 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1106) -1 -23.635456 12.336519 -6.188641 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1106) -1 -22.202386 12.801388 -6.140357 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1107) -1 35.090844 -0.687052 8.813014 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1107) -1 34.786881 0.017142 8.194220 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1107) -1 35.145108 -1.442016 8.180710 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1108) -1 27.280182 4.815857 -13.629347 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1108) -1 27.233450 4.094397 -14.278814 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1108) -1 26.428511 4.630212 -13.130810 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1109) -1 8.526531 -14.506348 -4.898277 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1109) -1 8.682514 -15.186930 -5.597022 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1109) -1 7.557783 -14.489909 -4.878057 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1110) -1 -20.899836 14.584579 -0.207414 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1110) -1 -20.618173 14.549707 -1.157187 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1110) -1 -19.999718 14.598302 0.202446 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1111) -1 -10.763222 19.310258 4.169494 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1111) -1 -10.704995 18.511382 3.614954 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1111) -1 -11.656072 19.633357 3.940950 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1112) -1 23.002138 -16.895738 7.722553 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1112) -1 22.659926 -16.590459 6.857432 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1112) -1 23.935150 -17.036680 7.521540 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1113) -1 -13.604261 26.969132 5.529710 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1113) -1 -13.409373 26.037230 5.805146 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1113) -1 -13.244785 27.450081 6.291187 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1114) -1 -17.419224 -22.244454 5.614038 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1114) -1 -17.823587 -21.726840 4.878839 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1114) -1 -18.089714 -22.920886 5.758005 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1115) -1 17.141576 -15.474109 7.588737 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1115) -1 18.083717 -15.360363 7.334658 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1115) -1 16.886745 -16.199924 6.969871 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1116) -1 16.046373 17.817093 -7.088543 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1116) -1 15.325825 18.431854 -6.858633 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1116) -1 15.729291 17.001967 -6.639904 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1117) -1 -7.174008 10.007797 12.713239 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1117) -1 -7.175612 9.602467 13.606570 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1117) -1 -7.060111 9.210657 12.156874 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1118) -1 10.503412 1.115628 12.200981 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1118) -1 9.579006 1.388207 12.398316 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1118) -1 10.317328 0.295202 11.677321 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1119) -1 -30.922313 -14.134531 -4.041134 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1119) -1 -31.435801 -13.317824 -4.154173 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1119) -1 -30.440348 -14.139340 -4.918873 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1120) -1 15.878942 -17.929014 0.506378 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1120) -1 16.640100 -17.347556 0.749848 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1120) -1 16.227780 -18.272671 -0.356276 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1121) -1 30.772925 6.000307 9.413104 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1121) -1 30.251894 6.435832 10.134849 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1121) -1 30.038864 5.763746 8.805327 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1122) -1 -11.618619 1.171558 -14.998159 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1122) -1 -11.596752 0.195381 -14.913595 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1122) -1 -12.468508 1.349954 -14.515815 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1123) -1 7.805022 -7.653660 -0.406226 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1123) -1 8.121896 -8.021098 -1.263235 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1123) -1 7.469940 -8.466828 0.018975 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1124) -1 33.600575 1.816630 -0.185378 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1124) -1 32.990313 1.309473 0.406036 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1124) -1 32.938937 2.135009 -0.846772 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1125) -1 -16.746310 27.704860 -0.036782 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1125) -1 -17.050301 26.804609 -0.299102 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1125) -1 -17.506954 27.965261 0.536663 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1126) -1 -7.996550 3.657464 13.682051 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1126) -1 -7.472204 2.865344 13.408466 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1126) -1 -7.439511 3.934524 14.456357 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1127) -1 6.318640 -2.129015 -8.894344 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1127) -1 6.143472 -2.950096 -8.350240 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1127) -1 5.717671 -1.516281 -8.405465 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1128) -1 33.833077 1.894344 11.637263 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1128) -1 33.438070 1.956267 10.745951 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1128) -1 34.441364 1.134314 11.511030 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1129) -1 28.952230 -2.087235 16.894174 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1129) -1 29.079189 -2.185500 15.911975 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1129) -1 28.026676 -1.765849 16.885200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1130) -1 -7.002962 12.543566 -3.310184 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1130) -1 -7.040378 13.482327 -3.062809 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1130) -1 -6.193202 12.271267 -2.799907 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1131) -1 1.624982 -14.427506 -4.705425 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1131) -1 1.232211 -14.782214 -3.875767 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1131) -1 2.524227 -14.193944 -4.364828 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1132) -1 20.560504 9.510025 -10.360337 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1132) -1 20.659870 8.858955 -11.103881 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1132) -1 21.102186 9.046235 -9.682503 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1133) -1 -20.186344 6.479985 10.444107 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1133) -1 -20.027800 6.541542 9.465380 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1133) -1 -20.464746 5.538758 10.493619 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1134) -1 -28.171089 -5.117884 -8.741829 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1134) -1 -27.665411 -4.722159 -7.988106 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1134) -1 -28.120805 -4.389069 -9.381723 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1136) -1 -9.767669 14.732291 5.392066 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1136) -1 -9.243524 15.160370 4.668770 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1136) -1 -10.548680 15.327491 5.398593 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1137) -1 -4.257612 -9.832519 -10.507869 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1137) -1 -4.199784 -8.885409 -10.749432 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1137) -1 -4.585593 -9.721130 -9.567009 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1138) -1 -28.562772 -26.927472 -5.156580 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1138) -1 -28.078955 -27.642513 -5.617489 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1138) -1 -27.995821 -26.838056 -4.354433 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1139) -1 24.130642 12.405135 -10.670423 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1139) -1 23.160176 12.266432 -10.487216 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1139) -1 24.225430 13.276631 -10.204944 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1140) -1 -16.040639 18.448457 6.096176 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1140) -1 -15.910763 17.501564 6.359711 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1140) -1 -15.251239 18.550470 5.520095 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1141) -1 -11.817153 11.479120 -7.669680 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1141) -1 -11.927648 11.036200 -8.544845 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1141) -1 -11.677753 10.675827 -7.108915 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1142) -1 2.046984 -9.895930 3.691940 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1142) -1 1.564766 -9.674187 4.508323 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1142) -1 2.040806 -10.874122 3.725408 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1143) -1 -7.857142 13.544999 15.978434 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1143) -1 -7.348119 12.829968 16.451832 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1143) -1 -7.877183 13.121144 15.083779 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1144) -1 27.044065 -12.491076 -12.862175 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1144) -1 27.095618 -11.692317 -13.441262 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1144) -1 26.404145 -13.026430 -13.378960 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1145) -1 -14.495987 -25.501940 -0.479205 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1145) -1 -14.831885 -24.710491 0.002905 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1145) -1 -14.607446 -25.173320 -1.408660 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1146) -1 14.358644 -4.306162 -14.978419 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1146) -1 15.113594 -4.875074 -15.254525 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1146) -1 14.767689 -3.421531 -15.082199 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1147) -1 -15.182996 21.154813 -13.867681 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1147) -1 -15.727147 20.486433 -13.376210 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1147) -1 -14.374183 20.598357 -14.008464 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1148) -1 -6.290899 -19.786745 9.281278 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1148) -1 -6.781360 -19.480487 10.084863 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1148) -1 -6.089982 -18.892137 8.889533 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1149) -1 15.227963 20.144251 1.182631 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1149) -1 15.073373 20.495756 0.265695 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1149) -1 15.730819 19.318664 0.916661 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1150) -1 18.993496 -8.562733 14.999435 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1150) -1 19.295335 -7.709878 14.589046 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1150) -1 18.764185 -9.062617 14.202972 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1151) -1 21.497615 5.220555 -12.042173 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1151) -1 21.277686 5.264757 -11.083221 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1151) -1 21.536555 4.261956 -12.177973 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1152) -1 10.564114 10.179813 14.979425 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1152) -1 11.504715 10.235455 15.266642 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1152) -1 10.364924 9.257368 15.200548 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1153) -1 -6.699988 -12.189951 18.692398 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1153) -1 -7.077849 -12.610815 17.871222 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1153) -1 -6.638636 -13.015791 19.241342 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1154) -1 -5.638505 -16.542379 -11.847134 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1154) -1 -5.201532 -16.854496 -11.012924 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1154) -1 -4.912801 -16.747917 -12.479834 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1155) -1 1.825162 -16.206838 5.884240 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1155) -1 2.537481 -15.570778 5.613666 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1155) -1 2.257888 -17.046431 5.654816 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1156) -1 34.886168 4.210932 0.097968 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1156) -1 34.021483 4.653968 0.253208 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1156) -1 34.570248 3.295561 -0.077639 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1157) -1 10.594360 -14.670004 1.745032 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1157) -1 10.398327 -13.845929 1.254020 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1157) -1 10.320348 -14.394046 2.653118 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1158) -1 -4.699787 11.885124 -2.125092 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1158) -1 -4.062785 11.700518 -1.404611 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1158) -1 -4.410703 11.210490 -2.783569 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1159) -1 -2.932097 -19.396714 12.982683 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1159) -1 -3.028581 -19.706987 12.050251 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1159) -1 -3.874611 -19.454405 13.263072 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1160) -1 -17.518576 -9.615956 12.547768 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1160) -1 -18.471687 -9.550132 12.265201 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1160) -1 -17.173885 -10.144085 11.796420 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1161) -1 -14.136594 13.996242 -11.204184 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1161) -1 -13.270371 14.407318 -10.988417 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1161) -1 -13.819409 13.103910 -11.497775 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1162) -1 -27.746170 -20.688091 -7.178594 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1162) -1 -27.877764 -19.705434 -7.211999 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1162) -1 -28.692297 -20.966554 -7.180015 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1163) -1 29.466189 13.063862 0.847762 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1163) -1 30.158064 12.392475 0.656793 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1163) -1 29.992301 13.870728 0.896495 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1164) -1 8.153338 -4.006211 7.687453 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1164) -1 7.702315 -3.868364 6.812798 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1164) -1 9.077973 -3.795628 7.405179 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1165) -1 -18.423576 -20.925694 3.495546 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1165) -1 -18.947550 -20.085751 3.479291 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1165) -1 -18.796845 -21.336795 2.668983 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1166) -1 10.004033 14.594521 -11.185258 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1166) -1 10.031596 15.197311 -10.405313 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1166) -1 10.969017 14.368657 -11.235877 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1167) -1 -22.961460 -7.035349 10.007580 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1167) -1 -22.292183 -6.407467 9.628626 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1167) -1 -23.025547 -6.664797 10.907403 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1168) -1 25.506791 13.495160 -5.137514 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1168) -1 26.124535 13.092312 -5.786320 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1168) -1 25.062312 14.158914 -5.708020 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1169) -1 20.827451 -15.665911 -2.870404 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1169) -1 20.675144 -15.919823 -1.932569 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1169) -1 21.253311 -14.783848 -2.729651 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1170) -1 -18.478689 23.529203 2.717367 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1170) -1 -18.149190 22.636880 2.462140 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1170) -1 -18.989717 23.302908 3.522468 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1171) -1 21.497591 4.184177 14.202211 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1171) -1 20.829620 4.619087 13.629072 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1171) -1 22.301828 4.656276 13.931013 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1172) -1 0.373812 11.219331 4.590484 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1172) -1 0.652949 11.293042 5.523565 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1172) -1 -0.126384 12.042539 4.469123 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1173) -1 17.113598 7.493893 -14.989448 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1173) -1 18.049999 7.712500 -14.798190 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1173) -1 16.664453 8.209077 -14.488972 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1174) -1 31.468087 -2.136474 11.447794 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1174) -1 31.985234 -1.614580 12.103164 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1174) -1 31.532166 -1.553088 10.671074 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1175) -1 11.281516 3.310833 -17.482776 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1175) -1 11.394157 2.344855 -17.335839 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1175) -1 12.122239 3.643812 -17.095357 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1176) -1 18.534039 -16.143874 -12.576835 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1176) -1 18.568880 -16.143044 -13.565215 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1176) -1 17.568604 -16.223329 -12.438975 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1177) -1 -8.032007 -13.281669 16.669310 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1177) -1 -8.033712 -14.258895 16.762807 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1177) -1 -8.967905 -13.081311 16.873315 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1178) -1 34.355365 -6.921905 4.331560 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1178) -1 34.254993 -5.986247 4.044861 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1178) -1 34.153127 -6.839942 5.277837 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1179) -1 -29.073750 -4.333158 -4.323038 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1179) -1 -28.410150 -4.301814 -3.589002 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1179) -1 -28.799349 -5.173817 -4.746246 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1180) -1 16.599600 -17.788807 -9.164821 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1180) -1 17.581737 -17.659857 -9.126012 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1180) -1 16.392944 -17.719914 -8.207497 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1181) -1 -8.078960 -15.966915 17.237015 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1181) -1 -8.989486 -16.301942 17.362719 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1181) -1 -7.777036 -16.543481 16.502273 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1182) -1 0.830020 -0.687164 13.980222 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1182) -1 -0.031270 -1.155625 13.887277 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1182) -1 1.003859 -0.488155 13.030521 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1183) -1 -14.537440 9.561666 -12.971329 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1183) -1 -15.330855 9.253813 -13.431357 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1183) -1 -14.164276 8.698997 -12.661971 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1184) -1 -16.615255 17.556132 10.578343 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1184) -1 -17.358490 17.259953 9.992832 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1184) -1 -16.980610 17.264873 11.445711 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1185) -1 -9.127636 -20.905459 -6.898108 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1185) -1 -9.840590 -21.510921 -7.208515 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1185) -1 -8.440746 -21.579681 -6.666273 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1186) -1 -4.136580 10.022725 -4.000052 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1186) -1 -4.010462 9.093687 -3.677660 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1186) -1 -3.329394 10.071699 -4.583343 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1187) -1 -7.404366 -22.686621 -5.863856 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1187) -1 -6.872238 -23.482730 -5.751557 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1187) -1 -7.425197 -22.340133 -4.940878 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1188) -1 -29.896242 20.059384 -2.093726 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1188) -1 -30.659099 19.539746 -2.388355 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1188) -1 -29.471510 19.401127 -1.477420 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1189) -1 -2.170611 -4.090159 -11.512256 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1189) -1 -2.414116 -4.671206 -12.275837 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1189) -1 -1.464945 -4.620385 -11.109120 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1190) -1 1.355336 -3.286488 -6.283052 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1190) -1 1.687331 -2.540801 -6.820795 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1190) -1 1.869923 -3.152697 -5.455815 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1191) -1 -3.497981 10.557424 8.389440 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1191) -1 -3.987035 9.936872 8.976358 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1191) -1 -4.236421 11.169522 8.152299 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1192) -1 25.128853 -8.718388 12.503034 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1192) -1 24.430714 -8.664900 13.202321 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1192) -1 25.457763 -7.790963 12.535568 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1193) -1 -22.711041 5.063563 -14.255834 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1193) -1 -22.611613 4.133989 -14.583232 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1193) -1 -23.157946 4.881958 -13.400417 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1194) -1 14.845952 -20.420937 -1.055734 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1194) -1 14.874087 -20.115690 -0.139447 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1194) -1 15.609834 -19.944453 -1.442967 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1195) -1 -24.533577 2.779086 5.023979 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1195) -1 -23.868970 2.987238 5.723188 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1195) -1 -24.252402 1.847575 4.820973 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1196) -1 -2.993623 3.320150 -11.830505 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1196) -1 -2.178817 3.751757 -12.128106 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1196) -1 -2.664092 2.412611 -11.646229 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1197) -1 22.523400 -4.171670 -12.443595 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1197) -1 22.794945 -4.170361 -11.491113 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1197) -1 22.207037 -3.246528 -12.516334 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1198) -1 24.212718 -9.979377 3.428588 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1198) -1 24.062028 -10.477209 2.610133 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1198) -1 24.524662 -10.709592 4.020643 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1199) -1 29.828472 -7.283741 -0.321213 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1199) -1 29.448471 -8.150410 -0.609209 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1199) -1 30.782300 -7.470872 -0.513946 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1200) -1 -14.065688 16.985339 15.816239 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1200) -1 -13.163673 17.361873 15.787247 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1200) -1 -13.854824 16.096327 16.196378 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1201) -1 -23.348009 18.111850 6.042897 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1201) -1 -23.401260 17.525642 6.844562 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1201) -1 -23.867592 17.529306 5.425311 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1202) -1 22.199513 -14.917257 9.570272 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1202) -1 22.232597 -14.486933 8.670661 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1202) -1 22.468002 -15.825000 9.296888 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1203) -1 21.544479 12.041843 -10.122541 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1203) -1 21.099055 11.170357 -10.213908 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1203) -1 20.805251 12.641541 -10.350707 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1204) -1 29.203294 2.267481 -5.907783 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1204) -1 29.419133 1.538253 -6.537059 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1204) -1 28.530701 2.746865 -6.441878 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1205) -1 22.334124 17.465703 -7.416396 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1205) -1 22.060122 18.387288 -7.178002 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1205) -1 21.452861 17.024041 -7.307542 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1206) -1 -15.946175 -0.851676 17.451054 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1206) -1 -16.331888 -0.485085 16.613911 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1206) -1 -16.587087 -1.604840 17.571353 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1207) -1 27.003109 -0.710772 -8.304398 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1207) -1 26.514701 -1.312728 -8.929122 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1207) -1 26.902148 0.128011 -8.845175 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1208) -1 -6.917747 -19.243978 0.417983 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1208) -1 -6.211766 -18.831022 0.963871 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1208) -1 -7.301526 -19.864238 1.077148 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1209) -1 -1.174266 -15.290372 15.139520 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1209) -1 -1.713429 -15.819234 14.492592 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1209) -1 -1.111541 -15.932260 15.864129 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1210) -1 -19.318393 -4.998055 16.976794 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1210) -1 -20.237818 -5.178122 16.700189 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1210) -1 -18.916736 -5.880757 16.803249 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1211) -1 -11.750534 9.075788 3.748711 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1211) -1 -12.376815 8.774197 3.042681 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1211) -1 -10.954169 9.232369 3.199504 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1212) -1 24.966344 -11.263411 -3.407093 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1212) -1 24.759398 -12.086882 -3.921563 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1212) -1 24.036584 -10.977675 -3.223495 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1213) -1 21.960035 -0.108420 -14.785267 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1213) -1 22.180065 0.508836 -14.060135 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1213) -1 21.220073 -0.606520 -14.389784 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1214) -1 -7.598815 21.859948 2.798947 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1214) -1 -6.685949 21.661038 3.072281 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1214) -1 -8.079316 21.538221 3.613864 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1215) -1 27.756816 4.752027 -0.319853 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1215) -1 27.460100 4.932609 0.601574 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1215) -1 28.696310 4.504120 -0.135522 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1216) -1 6.308612 -3.479881 2.661600 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1216) -1 6.463315 -4.303599 2.140463 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1216) -1 5.472368 -3.177490 2.220111 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1217) -1 8.627672 -8.642372 -2.798604 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1217) -1 8.388641 -8.024083 -3.518956 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1217) -1 9.246550 -9.234362 -3.249314 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1218) -1 -4.365870 0.939719 -9.989262 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1218) -1 -3.481155 0.889868 -10.436210 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1218) -1 -4.067481 1.290705 -9.114724 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1219) -1 25.164911 -1.786914 -9.946137 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1219) -1 24.547721 -1.032531 -9.852139 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1219) -1 24.545969 -2.529642 -10.068908 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1220) -1 13.415459 -4.889259 18.014567 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1220) -1 12.807660 -4.248903 17.628094 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1220) -1 14.064728 -4.993140 17.277444 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1221) -1 -20.461120 -7.624158 7.621611 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1221) -1 -20.612608 -6.798251 8.139940 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1221) -1 -19.781767 -7.312757 6.993077 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1222) -1 -24.279455 -3.258660 6.281818 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1222) -1 -23.790276 -2.696911 5.619787 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1222) -1 -23.562269 -3.895354 6.494502 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1223) -1 27.612488 7.505443 -13.638682 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1223) -1 27.517171 6.535318 -13.807523 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1223) -1 26.834380 7.820304 -14.169943 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1224) -1 -15.604730 6.855202 13.449295 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1224) -1 -16.348289 6.906512 12.806532 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1224) -1 -15.520880 5.875642 13.517306 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1225) -1 15.531720 17.573470 6.823729 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1225) -1 15.447740 17.473942 5.840995 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1225) -1 15.654640 16.635904 7.072200 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1226) -1 -27.585895 0.237456 -2.930706 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1226) -1 -28.237290 0.329991 -3.665370 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1226) -1 -27.506745 -0.729974 -2.887167 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1227) -1 13.301721 -13.443805 7.963147 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1227) -1 14.296187 -13.482864 7.941799 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1227) -1 13.217154 -12.664375 8.572808 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1228) -1 -9.685820 -14.737059 20.721117 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1228) -1 -10.113262 -14.406679 21.520009 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1228) -1 -10.410098 -14.638998 20.062593 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1229) -1 -22.805154 -18.442642 3.442110 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1229) -1 -23.010731 -19.223355 3.979187 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1229) -1 -22.535390 -17.807398 4.150067 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1230) -1 13.288081 4.195392 14.101425 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1230) -1 12.869997 3.308922 14.181603 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1230) -1 12.514843 4.729810 13.829965 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1231) -1 -20.723137 26.153950 -8.478163 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1231) -1 -20.091534 25.418748 -8.654482 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1231) -1 -21.560750 25.705588 -8.732718 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1232) -1 24.893277 -12.743291 -7.056797 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1232) -1 25.721240 -13.250782 -7.225280 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1232) -1 24.735353 -12.390791 -7.958527 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1233) -1 -24.585499 -8.133754 0.746031 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1233) -1 -24.707674 -7.157535 0.749474 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1233) -1 -23.643212 -8.173536 1.032011 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1234) -1 -11.613496 -10.102651 16.429108 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1234) -1 -11.907142 -9.513896 15.716928 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1234) -1 -11.277114 -9.441279 17.082101 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1235) -1 -14.417907 17.299550 -13.176015 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1235) -1 -15.074575 16.571386 -13.040376 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1235) -1 -13.591151 16.752998 -13.158524 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1236) -1 -22.589573 24.347803 -9.510389 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1236) -1 -23.394749 24.421273 -10.044369 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1236) -1 -22.012281 23.837370 -10.135393 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1237) -1 -16.677483 4.128903 -15.947668 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1237) -1 -16.077534 4.286013 -15.195772 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1237) -1 -17.539395 4.373895 -15.564365 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1238) -1 -13.109235 14.533371 16.512933 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1238) -1 -13.747448 13.852892 16.212327 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1238) -1 -12.286921 13.989510 16.549285 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1239) -1 8.254508 -1.495115 8.847806 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1239) -1 8.031099 -2.392141 8.513809 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1239) -1 8.108273 -0.972263 8.025426 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1240) -1 22.864406 1.333095 -12.510292 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1240) -1 23.477529 0.561238 -12.608493 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1240) -1 23.505416 1.962047 -12.082732 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1241) -1 5.773744 11.152967 -5.542847 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1241) -1 6.405530 11.505640 -4.863813 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1241) -1 6.333201 11.321092 -6.348899 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1242) -1 -23.310635 -20.521842 0.047391 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1242) -1 -23.699569 -21.359188 0.401484 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1242) -1 -22.444002 -20.883877 -0.265451 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1243) -1 -12.847463 29.729580 -12.744191 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1243) -1 -13.322908 30.560968 -12.521483 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1243) -1 -12.812104 29.317578 -11.848036 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1244) -1 -12.610636 -17.426946 -13.090357 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1244) -1 -11.741855 -17.740754 -13.452559 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1244) -1 -13.112519 -17.362316 -13.941031 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1245) -1 -14.289185 -17.561450 -15.182005 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1245) -1 -14.845237 -18.298331 -14.853815 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1245) -1 -14.918433 -17.130876 -15.800158 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1246) -1 -15.487478 19.759820 2.503115 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1246) -1 -14.748341 19.904996 3.125243 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1246) -1 -15.471882 18.776487 2.442747 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1247) -1 25.050023 -11.217158 13.665257 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1247) -1 24.313269 -10.892850 14.209916 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1247) -1 25.348265 -10.383019 13.247312 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1248) -1 -22.868257 6.828382 -9.479604 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1248) -1 -22.883226 6.470026 -8.553375 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1248) -1 -23.630932 6.328809 -9.842997 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1249) -1 3.085715 -13.520663 12.566772 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1249) -1 2.315480 -13.484084 13.177066 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1249) -1 2.822593 -14.292537 12.015951 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1250) -1 10.360731 -16.595243 5.136991 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1250) -1 10.501722 -17.177487 4.344488 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1250) -1 11.101866 -16.923218 5.697076 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1251) -1 -6.800841 13.143456 3.569195 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1251) -1 -7.463310 12.681669 3.006371 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1251) -1 -6.088209 12.475266 3.584302 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1252) -1 -10.490754 -18.613299 6.150429 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1252) -1 -11.164663 -18.511010 6.858888 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1252) -1 -9.786074 -19.075887 6.645849 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1253) -1 37.403790 -4.024032 0.535555 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1253) -1 37.701512 -4.175235 1.460429 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1253) -1 36.782442 -4.782597 0.436759 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1254) -1 -11.245972 -20.931425 12.339617 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1254) -1 -11.368900 -21.333276 11.461293 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1254) -1 -10.754639 -20.111680 12.078427 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1255) -1 23.529239 8.889832 -12.158778 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1255) -1 22.553397 8.729981 -12.148588 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1255) -1 23.812614 8.002183 -12.497264 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1256) -1 15.139583 17.443608 4.228231 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1256) -1 15.940972 17.537416 3.643485 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1256) -1 14.578032 18.147164 3.816050 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1257) -1 -30.860373 -14.978068 -10.683771 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1257) -1 -30.616093 -15.422621 -11.519299 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1257) -1 -30.281353 -14.192475 -10.720006 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1258) -1 10.959713 -17.890281 -5.555668 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1258) -1 11.274924 -18.263144 -6.417566 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1258) -1 10.201687 -17.359050 -5.888609 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1259) -1 13.506472 4.518294 -16.459721 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1259) -1 14.428339 4.188237 -16.360691 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1259) -1 13.458118 5.091648 -15.651266 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1260) -1 27.332471 9.588339 7.232331 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1260) -1 28.027718 8.934096 6.994116 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1260) -1 26.813343 9.576469 6.388583 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1261) -1 -10.118163 1.544668 20.316820 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1261) -1 -9.794825 1.958562 19.486990 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1261) -1 -10.788862 0.924230 19.933537 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1262) -1 -19.780766 24.114569 0.475614 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1262) -1 -20.140149 23.192133 0.445794 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1262) -1 -19.288468 24.036843 1.338578 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1263) -1 -6.824409 -15.334989 0.468791 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1263) -1 -7.623726 -15.263902 -0.087248 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1263) -1 -7.224626 -15.494938 1.349437 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1264) -1 -17.893904 16.593985 12.824040 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1264) -1 -18.797494 16.879786 13.021049 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1264) -1 -18.049999 15.628580 12.652028 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1265) -1 2.566290 -12.629096 3.634753 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1265) -1 3.533422 -12.400812 3.621386 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1265) -1 2.613585 -13.430470 4.200614 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1266) -1 -12.922439 -18.132478 16.592985 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1266) -1 -13.471572 -17.495362 16.080084 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1266) -1 -12.645796 -18.722664 15.837803 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1267) -1 -18.814820 9.388622 4.123319 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1267) -1 -18.054551 9.975198 4.343620 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1267) -1 -19.186011 9.244587 5.020121 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1268) -1 -7.547133 -20.892633 4.789141 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1268) -1 -7.864258 -21.810736 4.962609 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1268) -1 -7.668816 -20.508253 5.684985 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1269) -1 10.009790 -14.278485 -2.637269 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1269) -1 10.511507 -15.126744 -2.709111 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1269) -1 9.467216 -14.351530 -3.458414 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1270) -1 -10.391844 11.192800 14.867062 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1270) -1 -10.334672 10.254452 15.181052 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1270) -1 -11.373438 11.225835 14.702461 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1271) -1 -9.167867 26.647114 -10.466180 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1271) -1 -8.699873 26.444216 -11.308521 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1271) -1 -8.569446 26.168983 -9.837985 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1272) -1 -2.513538 -12.906753 14.780314 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1272) -1 -2.135173 -13.749392 15.125013 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1272) -1 -2.271331 -13.013418 13.826178 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1273) -1 3.616962 6.472855 -5.801470 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1273) -1 3.723297 5.549481 -6.135709 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1273) -1 2.639017 6.452083 -5.635278 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1275) -1 -15.141112 -19.467063 7.360574 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1275) -1 -15.657689 -18.630066 7.244531 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1275) -1 -15.061213 -19.461373 8.338319 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1276) -1 -23.699322 -6.277107 17.040117 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1276) -1 -22.802052 -6.452949 16.661115 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1276) -1 -24.217605 -6.193113 16.228400 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1277) -1 -19.334038 -15.948267 -14.767371 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1277) -1 -19.032952 -16.868232 -14.940771 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1277) -1 -18.715303 -15.748889 -13.995997 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1278) -1 -26.622162 -26.856204 -3.217331 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1278) -1 -26.560874 -26.101555 -2.591156 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1278) -1 -25.771255 -26.743011 -3.699854 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1279) -1 8.775645 0.098848 -17.340734 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1279) -1 8.329753 0.521985 -16.575824 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1279) -1 8.563021 -0.841540 -17.172038 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1280) -1 26.997367 -10.272829 -14.401452 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1280) -1 26.644341 -9.423042 -14.034012 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1280) -1 26.661777 -10.183534 -15.325609 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1281) -1 -7.631885 20.031547 -10.987445 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1281) -1 -7.566154 19.902880 -11.963090 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1281) -1 -8.583142 19.807870 -10.864513 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1282) -1 -30.134053 -21.711588 -2.596640 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1282) -1 -29.514330 -21.361116 -1.909983 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1282) -1 -30.661246 -20.896316 -2.760444 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1284) -1 10.672997 14.260594 9.082288 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1284) -1 9.997553 14.909213 8.844253 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1284) -1 11.456778 14.631422 8.606899 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1285) -1 -23.799853 3.668049 -3.081572 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1285) -1 -23.156285 3.340639 -3.774547 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1285) -1 -24.561349 3.071115 -3.320300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1286) -1 -20.716849 10.261136 12.628449 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1286) -1 -20.760019 11.238629 12.689697 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1286) -1 -20.072372 10.075016 13.346787 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1287) -1 -10.489612 -19.180567 1.287065 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1287) -1 -10.993175 -19.106075 2.146873 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1287) -1 -9.721473 -19.706763 1.637315 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1288) -1 11.254392 -16.669242 -3.041943 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1288) -1 11.090880 -17.205221 -3.848509 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1288) -1 11.240285 -17.377244 -2.359523 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1289) -1 33.163905 7.851709 6.049687 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1289) -1 33.575726 8.371803 5.319041 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1289) -1 32.426699 7.435693 5.549178 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1290) -1 13.774125 -13.702816 5.226060 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1290) -1 13.537404 -13.651795 6.174456 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1290) -1 14.327555 -12.897191 5.141348 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1291) -1 16.812636 22.904192 6.562913 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1291) -1 16.753288 23.036690 5.595938 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1291) -1 16.602244 21.951927 6.626290 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1292) -1 -10.161180 -16.758121 -6.194487 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1292) -1 -10.940017 -16.202427 -5.942623 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1292) -1 -10.363449 -16.872761 -7.157228 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1293) -1 -25.158216 2.140042 -9.472740 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1293) -1 -24.545400 1.620298 -8.907229 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1293) -1 -25.736558 1.421447 -9.802644 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1294) -1 -0.596243 -15.740500 4.776507 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1294) -1 0.304728 -15.861688 5.167231 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1294) -1 -1.033774 -16.538602 5.172280 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1295) -1 8.056083 1.351335 -10.787215 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1295) -1 7.353862 0.683589 -10.964752 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1295) -1 8.847309 0.775734 -10.851660 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1296) -1 -0.936350 -1.682853 -11.011311 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1296) -1 -1.513610 -2.376651 -11.414035 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1296) -1 -0.471775 -2.263313 -10.346508 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1297) -1 20.015992 10.778514 -14.718594 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1297) -1 19.631344 10.996354 -13.839138 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1297) -1 20.629405 11.546147 -14.818314 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1298) -1 -9.038500 -18.037880 -0.648683 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1298) -1 -8.187216 -18.402985 -0.288465 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1298) -1 -9.642345 -18.346606 0.074561 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1299) -1 19.082071 11.094441 -12.168347 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1299) -1 19.548670 10.471867 -11.567701 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1299) -1 18.150432 10.859755 -11.960766 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1300) -1 -1.499731 -16.438277 8.634854 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1300) -1 -2.349339 -16.693856 9.079158 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1300) -1 -1.831300 -15.684727 8.087140 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1301) -1 -8.669803 24.814955 -4.902663 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1301) -1 -8.246604 25.515520 -5.452628 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1301) -1 -7.994516 24.103170 -5.002568 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1302) -1 -21.750971 16.735066 1.226952 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1302) -1 -21.551412 15.991408 0.599122 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1302) -1 -20.849554 16.783955 1.653330 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1303) -1 -9.990497 17.862625 -3.070402 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1303) -1 -10.035721 16.898335 -2.872423 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1303) -1 -9.215304 18.109853 -2.518323 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1304) -1 -18.684202 10.094962 -1.637844 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1304) -1 -19.358510 9.863134 -0.964349 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1304) -1 -18.045529 10.591479 -1.088700 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1305) -1 23.138405 -8.821793 14.301710 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1305) -1 22.385863 -8.411438 13.792620 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1305) -1 22.653793 -8.968118 15.155023 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1306) -1 -12.897982 29.803449 -3.221840 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1306) -1 -12.212124 29.470955 -3.856256 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1306) -1 -12.460492 29.504365 -2.380049 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1307) -1 -19.770031 6.561111 7.818052 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1307) -1 -20.246300 6.031888 7.136652 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1307) -1 -18.870726 6.585727 7.436967 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1308) -1 19.177953 16.319819 -2.330109 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1308) -1 18.803793 15.410927 -2.365034 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1308) -1 19.395146 16.444193 -3.289235 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1309) -1 14.310717 12.448581 16.218762 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1309) -1 15.137545 12.707784 15.757336 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1309) -1 13.656758 12.948413 15.678647 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1310) -1 8.025147 13.415679 -9.633289 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1310) -1 8.776517 13.296033 -9.001023 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1310) -1 8.523082 13.791062 -10.394094 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1311) -1 2.970054 -4.379419 16.537554 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1311) -1 3.910246 -4.402124 16.759550 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1311) -1 2.961118 -3.674708 15.846558 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1312) -1 32.707316 11.651578 -3.677883 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1312) -1 33.345495 11.233682 -3.052885 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1312) -1 31.901191 11.647645 -3.120667 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1313) -1 -10.718736 18.129215 -13.458800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1313) -1 -9.904812 17.894999 -13.930733 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1313) -1 -11.143969 17.239899 -13.376375 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1314) -1 -10.549548 -22.389816 2.988788 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1314) -1 -11.191331 -22.671661 2.297099 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1314) -1 -11.191619 -22.072242 3.673281 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1315) -1 18.535927 -4.528349 -16.974342 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1315) -1 18.873366 -5.442955 -17.104478 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1315) -1 17.731216 -4.740197 -16.439057 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1316) -1 -21.196844 10.057728 -4.988207 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1316) -1 -21.696193 9.294313 -4.603935 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1316) -1 -21.931724 10.547037 -5.408533 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1317) -1 -12.374001 10.069902 -9.936677 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1317) -1 -12.982608 9.647959 -9.273967 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1317) -1 -11.907088 9.257297 -10.238618 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1318) -1 -20.958246 26.503271 0.058643 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1318) -1 -20.554944 25.626500 0.265403 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1318) -1 -20.664641 26.599630 -0.876628 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1319) -1 23.049242 -15.544215 -11.198565 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1319) -1 22.884239 -15.167727 -12.093785 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1319) -1 22.270203 -16.146156 -11.134103 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1320) -1 4.426485 13.450274 -5.000882 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1320) -1 4.799355 12.592843 -5.306194 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1320) -1 3.623709 13.126059 -4.540253 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1321) -1 -9.242586 14.408603 0.960415 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1321) -1 -10.155470 14.341324 0.609843 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1321) -1 -9.114850 13.493133 1.292273 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1322) -1 -23.518299 -3.056160 2.516043 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1322) -1 -23.964217 -2.372625 1.960693 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1322) -1 -23.378810 -2.511224 3.338049 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1323) -1 2.780919 -2.535022 14.542049 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1323) -1 2.215158 -1.722951 14.534959 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1323) -1 3.142297 -2.459580 13.618315 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1324) -1 -30.390371 -21.250340 -6.892745 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1324) -1 -30.478507 -20.315269 -6.588175 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1324) -1 -30.925622 -21.692056 -6.188953 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1325) -1 -12.560472 16.152382 -4.537723 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1325) -1 -11.878435 15.739162 -5.123359 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1325) -1 -12.562295 17.057279 -4.908029 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1326) -1 -2.262240 10.327153 2.302979 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1326) -1 -1.398260 9.868645 2.239659 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1326) -1 -2.454622 10.481118 1.354644 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1327) -1 -6.066841 21.646684 -9.600069 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1327) -1 -5.223106 21.169114 -9.652730 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1327) -1 -6.663502 20.978298 -10.034039 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1328) -1 -22.929884 -9.935071 -10.938920 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1328) -1 -22.340680 -10.519992 -11.471445 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1328) -1 -22.391074 -9.113617 -10.944289 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1329) -1 -12.087158 15.873427 -13.027408 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1329) -1 -11.936099 15.641264 -12.073623 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1329) -1 -12.035349 14.950126 -13.400010 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1330) -1 28.090129 -11.864454 -6.189571 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1330) -1 27.901581 -12.682799 -6.696419 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1330) -1 27.469706 -11.243954 -6.614868 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1331) -1 -22.566285 19.803312 8.311438 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1331) -1 -22.871874 19.516837 7.432731 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1331) -1 -21.663896 20.125753 8.101248 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1332) -1 17.278536 5.905899 -17.214725 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1332) -1 17.161467 6.545013 -16.471944 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1332) -1 16.912689 5.098313 -16.793541 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1333) -1 -13.013181 2.700196 18.213201 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1333) -1 -12.800573 3.052559 19.104183 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1333) -1 -13.972649 2.511925 18.328906 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1334) -1 -12.253558 15.913373 5.511473 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1334) -1 -12.435062 15.942493 6.476278 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1334) -1 -12.872522 15.196595 5.242451 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1335) -1 -27.728704 -17.164873 -2.754325 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1335) -1 -28.491858 -17.080828 -3.375153 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1335) -1 -27.857422 -16.335854 -2.238675 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1336) -1 -17.267330 -9.668919 15.238447 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1336) -1 -17.348539 -9.651232 14.256477 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1336) -1 -17.009018 -10.584930 15.388899 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1337) -1 28.667202 3.406329 -9.805870 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1337) -1 28.692652 4.212517 -10.381145 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1337) -1 29.616818 3.236294 -9.707148 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1338) -1 -2.399075 -18.604554 0.805634 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1338) -1 -3.329005 -18.478027 1.070101 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1338) -1 -2.387782 -19.536866 0.555607 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1339) -1 -23.528107 16.038459 7.813609 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1339) -1 -22.899218 15.286505 7.947373 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1339) -1 -24.301151 15.525193 7.477089 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1340) -1 31.630212 12.679024 -5.899201 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1340) -1 32.120948 12.355667 -5.103837 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1340) -1 31.990749 12.100332 -6.581734 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1341) -1 -11.847972 28.643956 -1.015751 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1341) -1 -12.599944 28.632393 -0.377761 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1341) -1 -11.376119 27.829321 -0.716520 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1342) -1 -6.081621 -10.842817 -12.363505 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1342) -1 -5.712676 -11.618112 -12.813862 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1342) -1 -5.336247 -10.549786 -11.811162 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1343) -1 -11.162011 28.639535 -4.905468 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1343) -1 -10.996300 27.695401 -5.143685 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1343) -1 -10.442051 28.751601 -4.228836 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1344) -1 -15.944564 4.100235 16.786110 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1344) -1 -16.794046 4.234801 16.310695 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1344) -1 -16.184539 3.376161 17.391220 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1345) -1 16.754968 17.579396 -1.901791 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1345) -1 17.702702 17.305033 -1.910625 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1345) -1 16.675430 17.796626 -0.929868 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1346) -1 33.768705 9.024422 3.666672 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1346) -1 33.118331 9.725447 3.416147 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1346) -1 33.523077 8.342894 2.992850 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1347) -1 -18.938854 26.816051 -14.678523 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1347) -1 -19.244635 25.967289 -15.079581 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1347) -1 -18.836776 26.525659 -13.749081 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1348) -1 -18.107489 6.649705 12.223917 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1348) -1 -18.341554 5.695885 12.368892 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1348) -1 -18.786889 6.855334 11.533383 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1349) -1 -7.596742 -21.796730 -3.331906 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1349) -1 -8.273611 -21.147694 -2.995381 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1349) -1 -6.791981 -21.330753 -2.981626 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1350) -1 -10.355577 -8.548565 18.231023 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1350) -1 -9.805567 -9.258178 18.638317 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1350) -1 -10.135324 -7.811461 18.854439 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1351) -1 26.141143 13.945300 10.508945 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1351) -1 26.239003 13.450355 9.675336 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1351) -1 25.194269 14.207855 10.454101 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1352) -1 22.317452 -15.541808 5.344290 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1352) -1 21.478374 -15.243466 4.925042 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1352) -1 22.363440 -14.868705 6.077481 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1353) -1 9.910440 12.492523 -2.526669 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1353) -1 10.146199 12.589924 -1.565857 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1353) -1 10.802260 12.240953 -2.869775 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1354) -1 14.727188 9.811548 13.394985 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1354) -1 15.706460 9.914920 13.424751 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1354) -1 14.505406 10.691853 12.980061 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1355) -1 11.040878 -6.206184 6.073287 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1355) -1 11.300773 -7.120282 5.819231 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1355) -1 10.507330 -6.406754 6.880436 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1356) -1 30.575540 -7.995477 -4.042686 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1356) -1 29.716670 -7.638277 -3.730440 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1356) -1 30.318695 -8.933804 -4.191476 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1357) -1 -1.956924 -13.481358 -4.582543 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1357) -1 -2.793112 -13.565417 -4.086346 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1357) -1 -1.653692 -14.417498 -4.561594 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1358) -1 11.548510 15.229821 3.225219 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1358) -1 12.365428 15.065410 3.776391 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1358) -1 11.401969 16.175598 3.510922 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1359) -1 20.945048 5.670220 -9.379115 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1359) -1 20.225419 5.779599 -8.734491 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1359) -1 21.430520 6.518567 -9.244106 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1360) -1 22.194053 -15.402490 -5.338878 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1360) -1 21.689048 -15.740744 -6.098108 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1360) -1 21.675761 -15.746129 -4.589727 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1361) -1 21.130512 12.532094 12.567906 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1361) -1 20.413636 12.928680 13.128743 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1361) -1 21.099735 13.195008 11.825875 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1362) -1 22.549734 -14.126642 -13.464163 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1362) -1 22.270816 -13.201911 -13.708395 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1362) -1 21.855286 -14.610406 -14.013336 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1363) -1 11.402272 0.621897 -17.294505 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1363) -1 10.429890 0.511607 -17.482779 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1363) -1 11.509824 -0.149278 -16.684896 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1364) -1 24.107318 -1.898566 -15.195107 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1364) -1 23.348091 -1.283423 -15.271411 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1364) -1 24.435442 -1.650190 -14.304431 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1365) -1 -19.646113 18.718716 -10.075191 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1365) -1 -19.270640 18.394592 -10.922274 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1365) -1 -19.500363 17.911544 -9.524364 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1366) -1 6.927146 -7.451135 -11.161779 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1366) -1 6.555754 -7.032024 -10.350866 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1366) -1 7.640136 -7.988767 -10.753204 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1367) -1 -7.448221 -17.499101 14.885501 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1367) -1 -7.326894 -17.025559 14.019551 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1367) -1 -6.811735 -18.235263 14.735075 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1368) -1 -6.670600 22.898610 -4.940115 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1368) -1 -5.814538 22.983180 -4.487892 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1368) -1 -7.034408 22.107712 -4.465625 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1369) -1 -26.464660 -24.417651 -1.965289 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1369) -1 -25.729637 -23.917510 -2.407504 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1369) -1 -27.213366 -24.113900 -2.536028 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1370) -1 12.049018 8.171041 9.737230 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1370) -1 12.590111 7.885760 10.511591 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1370) -1 11.658948 7.297834 9.487583 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1371) -1 -15.815762 13.624351 0.071501 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1371) -1 -14.940308 13.265465 -0.257902 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1371) -1 -16.332684 12.778903 -0.014484 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1372) -1 -6.605040 4.133405 15.927401 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1372) -1 -5.812159 3.572333 16.079311 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1372) -1 -6.947206 4.190906 16.848159 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1373) -1 21.324237 -9.031756 16.308618 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1373) -1 20.469483 -8.913098 15.830072 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1373) -1 21.032441 -8.946636 17.224763 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1374) -1 -17.825009 12.381639 -5.625002 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1374) -1 -18.021214 11.843074 -6.423232 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1374) -1 -16.858158 12.212632 -5.540388 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1375) -1 28.878887 -9.607006 -1.448260 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1375) -1 29.237835 -10.063877 -2.245554 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1375) -1 28.111469 -10.212687 -1.267059 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1376) -1 -10.382936 -21.652661 7.103013 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1376) -1 -9.549472 -21.122357 7.123673 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1376) -1 -10.712662 -21.433249 8.012584 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1377) -1 31.694159 2.955544 -1.780846 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1377) -1 30.909315 2.775013 -2.362644 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1377) -1 32.100018 3.684178 -2.312647 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1378) -1 -12.080082 20.801822 8.872919 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1378) -1 -13.050146 20.906808 8.760410 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1378) -1 -12.073463 20.357368 9.759590 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1379) -1 -2.026611 9.656034 -5.559040 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1379) -1 -1.171613 9.260547 -5.278549 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1379) -1 -2.376244 8.934050 -6.121835 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1380) -1 -26.970679 -4.451635 -2.634760 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1380) -1 -26.299177 -5.001292 -3.096890 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1380) -1 -26.409121 -4.055824 -1.933710 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1381) -1 -24.324462 -6.092041 19.669125 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1381) -1 -23.409705 -5.947263 19.933040 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1381) -1 -24.226443 -6.186713 18.693107 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1382) -1 -9.909394 17.128460 -9.539825 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1382) -1 -9.024838 16.730703 -9.458726 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1382) -1 -10.054950 17.400850 -8.595359 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1383) -1 -3.981878 -16.988701 -9.786236 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1383) -1 -3.131395 -16.594384 -10.073670 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1383) -1 -3.792505 -17.151168 -8.839468 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1384) -1 18.869098 7.627932 13.401524 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1384) -1 19.359116 8.472755 13.293798 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1384) -1 18.018571 7.948033 13.735890 L H-HS-0.193300(PDBName=HG,ResName=GDS,ResNum=238) 0 -19.457082 -18.506600 -8.073157 H 1 944 1.0 2 1.0 3 1.0 4 1.0 2 3 4 5 1.0 6 1.0 7 1.0 5 6 7 8 1.0 9 1.0 8 9 10 1013 1.0 11 1.0 1015 1.0 12 1.0 11 12 13 1.0 14 1.0 13 14 15 1.0 16 1.0 15 16 17 1.0 18 1.0 22 1.0 17 18 19 1.0 20 1.0 21 1.0 19 20 21 22 23 1.0 24 1.0 23 24 25 1.0 26 1.0 25 26 27 1.0 28 1.0 29 1.0 27 28 29 30 1.0 31 1.0 30 31 32 1.0 33 1.0 32 33 34 1.0 35 1.0 46 1.0 34 35 36 1.0 37 1.0 38 1.0 36 37 38 39 1.0 44 1.0 39 40 1.0 41 1.0 40 41 42 1.0 43 1.0 42 43 44 1.0 44 45 1.0 45 46 47 1.0 48 1.0 47 48 49 1.0 50 1.0 49 50 51 1.0 52 1.0 151 1.0 51 52 53 1.0 54 1.0 55 1.0 53 54 55 56 1.0 56 57 1981 1.0 58 1.0 59 1.0 60 1.0 58 59 60 61 1.0 62 1.0 61 62 63 1.0 66 1.0 63 64 1.0 65 1.0 64 65 66 67 1.0 68 1.0 67 68 69 70 1.0 73 1.0 77 1.0 78 1.0 70 71 1.0 72 1.0 71 72 73 74 1.0 75 1.0 76 1.0 74 75 76 77 78 79 1.0 80 1.0 81 1.0 79 80 81 82 1.0 83 1.0 84 1.0 82 83 84 85 1.0 123 1.0 85 86 1.0 122 1.0 86 87 1.0 111 1.0 121 1.0 87 88 1.0 109 1.0 110 1.0 88 89 1.0 89 90 1.0 7167 1.0 90 91 1.0 107 1.0 108 1.0 91 92 1.0 99 1.0 106 1.0 92 93 1.0 98 1.0 93 94 1.0 97 1.0 94 3780 1.0 95 1.0 96 1.0 95 96 97 98 99 100 1.0 105 1.0 100 101 1.0 104 1.0 101 3783 1.0 102 1.0 103 1.0 102 103 104 105 106 107 108 109 110 111 112 1.0 113 1.0 112 113 114 1.0 120 1.0 114 115 1.0 118 1.0 119 1.0 115 116 1.0 117 1.0 116 117 118 119 120 121 122 123 124 125 1.0 126 1.0 125 126 1.0 126 127 128 1.0 129 1.0 128 129 1.0 129 130 131 1.0 132 1.0 131 132 1.0 132 133 134 1.0 135 1.0 134 135 1.0 135 136 137 1.0 138 1.0 137 138 1.0 138 139 140 1.0 141 1.0 140 141 1.0 141 142 143 1.0 144 1.0 143 144 1.0 144 145 146 1.0 147 1.0 146 147 1.0 147 148 149 1.0 150 1.0 149 150 1.0 150 151 152 1.0 153 1.0 152 153 154 1.0 1033 1.0 154 155 1401 1.0 156 1.0 157 1.0 158 1.0 156 157 158 159 1.0 160 1.0 161 1.0 159 160 161 162 1.0 163 1.0 164 1.0 162 163 164 165 166 1.0 167 1.0 166 167 1.0 167 168 169 1.0 170 1.0 169 170 1.0 170 171 172 1.0 173 1.0 172 173 1.0 173 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1854 1.0 1858 1.0 1853 1854 1855 1.0 1856 1.0 1857 1.0 1855 1856 1857 1858 1859 1.0 1860 1.0 1859 1860 1861 1.0 1862 1.0 1861 1862 1863 1.0 1864 1.0 1869 1.0 1863 1864 1865 1.0 1866 1.0 1867 1.0 1865 1866 1867 1868 1.0 1868 1869 1870 1.0 1871 1.0 1870 1871 1872 1.0 1881 1.0 1872 1873 1.0 1874 1.0 1875 1.0 1873 1874 1875 1876 1.0 1877 1.0 1878 1.0 1876 1877 1878 1879 1.0 1880 1.0 1881 1.0 1879 1880 1881 1882 1.0 1883 1.0 1882 1883 1884 1.0 1885 1.0 1884 1885 1886 1.0 1887 1.0 1886 1887 1888 1.0 1889 1.0 1905 1.0 1888 1889 1890 1.0 1891 1.0 1892 1.0 1890 1891 1892 1893 1.0 1894 1.0 1895 1.0 1893 1894 1895 1896 1.0 1897 1.0 1898 1.0 1896 1897 1898 1899 1.0 1900 1.0 1901 1.0 1899 1900 1901 1902 1.0 1903 1.0 1904 1.0 1902 1903 1904 1905 1906 1.0 1907 1.0 1906 1907 1908 1.0 1909 1.0 1908 1909 1910 1.0 1911 1.0 1920 1.0 1910 1911 1912 1.0 1913 1.0 1914 1.0 1912 1913 1914 1915 1.0 1916 1.0 1917 1.0 1915 1916 1917 1918 1.0 1919 1.0 1918 1919 1920 1921 1.0 1922 1.0 1921 1922 1923 1.0 1924 1.0 1923 1924 1925 1.0 1926 1.0 1941 1.0 1925 1926 1927 1.0 1928 1.0 1929 1.0 1927 1928 1929 1930 1.0 1939 1.0 1930 1931 1.0 1932 1.0 1931 1932 1933 1.0 1934 1.0 1933 1934 1935 1.0 1937 1.0 1935 1936 1.0 1936 1937 1938 1.0 1939 1.0 1938 1939 1940 1.0 1940 1941 1942 1.0 1943 1.0 1942 1943 1944 1.0 1945 1.0 1944 1945 1946 1.0 1947 1.0 1955 1.0 1946 1947 1948 1.0 1949 1.0 1953 1.0 1948 1949 1950 1.0 1951 1.0 1952 1.0 1950 1951 1952 1953 1954 1.0 1954 1955 1956 1.0 1957 1.0 1956 1957 1958 1.0 1959 1.0 1958 1959 1960 1.0 1961 1.0 1965 1.0 1960 1961 1962 1.0 1963 1.0 1964 1.0 1962 1963 1964 1965 1966 1.0 1967 1.0 1966 1967 1968 1.0 1969 1.0 1968 1969 1970 1.0 1971 1.0 1972 1.0 1970 1971 1972 1973 1.0 1974 1.0 1973 1974 1975 1.0 1976 1.0 1975 1976 1977 1.0 1978 1.0 1984 1.0 1977 1978 1979 1.0 1980 1.0 1981 1.0 1979 1980 1981 1982 1.0 1983 1.0 1982 1983 1984 1985 1.0 1986 1.0 1985 1986 1987 1.0 1988 1.0 1987 1988 1989 1.0 1990 1.0 1999 1.0 1989 1990 1991 1.0 1992 1.0 1993 1.0 1991 1992 1993 1994 1.0 1995 1.0 1996 1.0 1994 1995 1996 1997 1.0 1998 1.0 1997 1998 1999 2000 1.0 2001 1.0 2000 2001 2002 1.0 2003 1.0 2002 2003 2004 1.0 2005 1.0 2009 1.0 2004 2005 2006 1.0 2007 1.0 2008 1.0 2006 2007 2008 2009 2010 1.0 2011 1.0 2010 2011 2012 1.0 2013 1.0 2012 2013 2014 1.0 2015 1.0 2021 1.0 2014 2015 2016 1.0 2017 1.0 2018 1.0 2016 2017 2018 2019 1.0 2020 1.0 2019 2020 2021 2022 1.0 2023 1.0 2022 2023 2024 1.0 2025 1.0 2024 2025 2026 1.0 2027 1.0 2033 1.0 2026 2027 2028 1.0 2029 1.0 2030 1.0 2028 2029 2030 2031 1.0 2032 1.0 2031 2032 2033 2034 1.0 2035 1.0 2034 2035 2036 1.0 2037 1.0 2036 2037 2038 1.0 2039 1.0 2052 1.0 2038 2039 2040 1.0 2041 1.0 2045 1.0 2040 2041 2042 1.0 2043 1.0 2044 1.0 2042 2043 2044 2045 2046 1.0 2047 1.0 2048 1.0 2046 2047 2048 2049 1.0 2050 1.0 2051 1.0 2049 2050 2051 2052 2053 1.0 2054 1.0 2053 2054 2055 1.0 2056 1.0 2055 2056 2057 1.0 2058 1.0 2068 1.0 2057 2058 2059 1.0 2060 1.0 2064 1.0 2059 2060 2061 1.0 2062 1.0 2063 1.0 2061 2062 2063 2064 2065 1.0 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1.0 6764 6765 6766 1.0 6767 1.0 6766 6767 1.0 6767 6768 6769 1.0 6770 1.0 6769 6770 1.0 6770 6771 6772 1.0 6773 1.0 6772 6773 1.0 6773 6774 6775 1.0 6776 1.0 6775 6776 1.0 6776 6777 6778 1.0 6779 1.0 6778 6779 1.0 6779 6780 6781 1.0 6782 1.0 6781 6782 1.0 6782 6783 6784 1.0 6785 1.0 6784 6785 1.0 6785 6786 6787 1.0 6788 1.0 6787 6788 1.0 6788 6789 6790 1.0 6791 1.0 6790 6791 1.0 6791 6792 6793 1.0 6794 1.0 6793 6794 1.0 6794 6795 6796 1.0 6797 1.0 6796 6797 1.0 6797 6798 6799 1.0 6800 1.0 6799 6800 1.0 6800 6801 6802 1.0 6803 1.0 6802 6803 1.0 6803 6804 6805 1.0 6806 1.0 6805 6806 1.0 6806 6807 6808 1.0 6809 1.0 6808 6809 1.0 6809 6810 6811 1.0 6812 1.0 6811 6812 1.0 6812 6813 6814 1.0 6815 1.0 6814 6815 1.0 6815 6816 6817 1.0 6818 1.0 6817 6818 1.0 6818 6819 6820 1.0 6821 1.0 6820 6821 1.0 6821 6822 6823 1.0 6824 1.0 6823 6824 1.0 6824 6825 6826 1.0 6827 1.0 6826 6827 1.0 6827 6828 6829 1.0 6830 1.0 6829 6830 1.0 6830 6831 6832 1.0 6833 1.0 6832 6833 1.0 6833 6834 6835 1.0 6836 1.0 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6908 1.0 6907 6908 1.0 6908 6909 6910 1.0 6911 1.0 6910 6911 1.0 6911 6912 6913 1.0 6914 1.0 6913 6914 1.0 6914 6915 6916 1.0 6917 1.0 6916 6917 1.0 6917 6918 6919 1.0 6920 1.0 6919 6920 1.0 6920 6921 6922 1.0 6923 1.0 6922 6923 1.0 6923 6924 6925 1.0 6926 1.0 6925 6926 1.0 6926 6927 6928 1.0 6929 1.0 6928 6929 1.0 6929 6930 6931 1.0 6932 1.0 6931 6932 1.0 6932 6933 6934 1.0 6935 1.0 6934 6935 1.0 6935 6936 6937 1.0 6938 1.0 6937 6938 1.0 6938 6939 6940 1.0 6941 1.0 6940 6941 1.0 6941 6942 6943 1.0 6944 1.0 6943 6944 1.0 6944 6945 6946 1.0 6947 1.0 6946 6947 1.0 6947 6948 6949 1.0 6950 1.0 6949 6950 1.0 6950 6951 6952 1.0 6953 1.0 6952 6953 1.0 6953 6954 6955 1.0 6956 1.0 6955 6956 1.0 6956 6957 6958 1.0 6959 1.0 6958 6959 1.0 6959 6960 6961 1.0 6962 1.0 6961 6962 1.0 6962 6963 6964 1.0 6965 1.0 6964 6965 1.0 6965 6966 6967 1.0 6968 1.0 6967 6968 1.0 6968 6969 6970 1.0 6971 1.0 6970 6971 1.0 6971 6972 6973 1.0 6974 1.0 6973 6974 1.0 6974 6975 6976 1.0 6977 1.0 6976 6977 1.0 6977 6978 6979 1.0 6980 1.0 6979 6980 1.0 6980 6981 6982 1.0 6983 1.0 6982 6983 1.0 6983 6984 6985 1.0 6986 1.0 6985 6986 1.0 6986 6987 6988 1.0 6989 1.0 6988 6989 1.0 6989 6990 6991 1.0 6992 1.0 6991 6992 1.0 6992 6993 6994 1.0 6995 1.0 6994 6995 1.0 6995 6996 6997 1.0 6998 1.0 6997 6998 1.0 6998 6999 7000 1.0 7001 1.0 7000 7001 1.0 7001 7002 7003 1.0 7004 1.0 7003 7004 1.0 7004 7005 7006 1.0 7007 1.0 7006 7007 1.0 7007 7008 7009 1.0 7010 1.0 7009 7010 1.0 7010 7011 7012 1.0 7013 1.0 7012 7013 1.0 7013 7014 7015 1.0 7016 1.0 7015 7016 1.0 7016 7017 7018 1.0 7019 1.0 7018 7019 1.0 7019 7020 7021 1.0 7022 1.0 7021 7022 1.0 7022 7023 7024 1.0 7025 1.0 7024 7025 1.0 7025 7026 7027 1.0 7028 1.0 7027 7028 1.0 7028 7029 7030 1.0 7031 1.0 7030 7031 1.0 7031 7032 7033 1.0 7034 1.0 7033 7034 1.0 7034 7035 7036 1.0 7037 1.0 7036 7037 1.0 7037 7038 7039 1.0 7040 1.0 7039 7040 1.0 7040 7041 7042 1.0 7043 1.0 7042 7043 1.0 7043 7044 7045 1.0 7046 1.0 7045 7046 1.0 7046 7047 7048 1.0 7049 1.0 7048 7049 1.0 7049 7050 7051 1.0 7052 1.0 7051 7052 1.0 7052 7053 7054 1.0 7055 1.0 7054 7055 1.0 7055 7056 7057 1.0 7058 1.0 7057 7058 1.0 7058 7059 7060 1.0 7061 1.0 7060 7061 1.0 7061 7062 7063 1.0 7064 1.0 7063 7064 1.0 7064 7065 7066 1.0 7067 1.0 7066 7067 1.0 7067 7068 7069 1.0 7070 1.0 7069 7070 1.0 7070 7071 7072 1.0 7073 1.0 7072 7073 1.0 7073 7074 7075 1.0 7076 1.0 7075 7076 1.0 7076 7077 7078 1.0 7079 1.0 7078 7079 1.0 7079 7080 7081 1.0 7082 1.0 7081 7082 1.0 7082 7083 7084 1.0 7085 1.0 7084 7085 1.0 7085 7086 7087 1.0 7088 1.0 7087 7088 1.0 7088 7089 7090 1.0 7091 1.0 7090 7091 1.0 7091 7092 7093 1.0 7094 1.0 7093 7094 1.0 7094 7095 7096 1.0 7097 1.0 7096 7097 1.0 7097 7098 7099 1.0 7100 1.0 7099 7100 1.0 7100 7101 7102 1.0 7103 1.0 7102 7103 1.0 7103 7104 7105 1.0 7106 1.0 7105 7106 1.0 7106 7107 7108 1.0 7109 1.0 7108 7109 1.0 7109 7110 7111 1.0 7112 1.0 7111 7112 1.0 7112 7113 7114 1.0 7115 1.0 7114 7115 1.0 7115 7116 7117 1.0 7118 1.0 7117 7118 1.0 7118 7119 7120 1.0 7121 1.0 7120 7121 1.0 7121 7122 7123 1.0 7124 1.0 7123 7124 1.0 7124 7125 7126 1.0 7127 1.0 7126 7127 1.0 7127 7128 7129 1.0 7130 1.0 7129 7130 1.0 7130 7131 7132 1.0 7133 1.0 7132 7133 1.0 7133 7134 7135 1.0 7136 1.0 7135 7136 1.0 7136 7137 7138 1.0 7139 1.0 7138 7139 1.0 7139 7140 7141 1.0 7142 1.0 7141 7142 1.0 7142 7143 7144 1.0 7145 1.0 7144 7145 1.0 7145 7146 7147 1.0 7148 1.0 7147 7148 1.0 7148 7149 7150 1.0 7151 1.0 7150 7151 1.0 7151 7152 7153 1.0 7154 1.0 7153 7154 1.0 7154 7155 7156 1.0 7157 1.0 7156 7157 1.0 7157 7158 7159 1.0 7160 1.0 7159 7160 1.0 7160 7161 7162 1.0 7163 1.0 7162 7163 1.0 7163 7164 7165 1.0 7166 1.0 7165 7166 1.0 7166 7167 VDW C* 1.9080 0.0860 VDW H5 1.3590 0.0150 VDW H4 1.4090 0.0150 VDW HA 1.4590 0.0150 VDW H1 1.3870 0.0157 VDW N3 1.8240 0.1700 VDW N2 1.8240 0.1700 VDW O2 1.6612 0.2100 VDW CN 1.9080 0.0860 VDW NA 1.8240 0.1700 VDW NB 1.8240 0.1700 VDW HS 0.6000 0.0157 VDW HP 1.1000 0.0157 VDW CB 1.9080 0.0860 VDW CC 1.9080 0.0860 VDW OW 1.7683 0.1520 VDW CA 1.9080 0.0860 VDW S 2.0000 0.2500 VDW OH 1.7210 0.2104 VDW CW 1.9080 0.0860 VDW N 1.8240 0.1700 VDW O 1.6612 0.2100 VDW SH 2.0000 0.2500 VDW HC 1.4870 0.0157 VDW H 0.6000 0.0157 VDW CR 1.9080 0.0860 VDW CV 1.9080 0.0860 VDW C 1.9080 0.0860 VDW CT 1.9080 0.1094 HrmStr1 CT H1 340.00 1.0900 HrmStr1 CT HC 340.00 1.0900 HrmStr1 CT HP 340.00 1.0900 HrmStr1 N3 H 434.00 1.0100 HrmStr1 N H 434.00 1.0100 HrmStr1 N2 H 434.00 1.0100 HrmStr1 SH HS 274.00 1.3360 HrmStr1 CV H4 367.00 1.0800 HrmStr1 CR H5 367.00 1.0800 HrmStr1 NA H 434.00 1.0100 HrmStr1 OH HO 553.00 0.9600 HrmStr1 CA HA 367.00 1.0800 HrmStr1 CW H4 367.00 1.0800 HrmStr1 HW HW 553.00 1.5136 HrmStr1 OW HW 553.00 0.9572 HrmStr1 C O 570.00 1.2290 HrmStr1 C N 490.00 1.3350 HrmStr1 S CT 227.00 1.8100 HrmStr1 CT CT 310.00 1.5260 HrmStr1 CT C 317.00 1.5220 HrmStr1 N3 CT 367.00 1.4710 HrmStr1 N CT 337.00 1.4490 HrmStr1 CA N2 481.00 1.3400 HrmStr1 CT N2 337.00 1.4630 HrmStr1 CT SH 237.00 1.8100 HrmStr1 C O2 656.00 1.2500 HrmStr1 NB CV 410.00 1.3940 HrmStr1 CR NB 488.00 1.3350 HrmStr1 NA CR 477.00 1.3430 HrmStr1 CC NA 422.00 1.3850 HrmStr1 CC CV 512.00 1.3750 HrmStr1 CT CC 317.00 1.5040 HrmStr1 CT OH 320.00 1.4100 HrmStr1 CA CA 469.00 1.4000 HrmStr1 CT CA 317.00 1.5100 HrmStr1 C OH 450.00 1.3640 HrmStr1 C CA 469.00 1.4090 HrmStr1 CA CB 469.00 1.4040 HrmStr1 CN CA 469.00 1.4000 HrmStr1 CN CB 447.00 1.4190 HrmStr1 NA CN 428.00 1.3800 HrmStr1 CW NA 427.00 1.3810 HrmStr1 C* CW 546.00 1.3520 HrmStr1 C* CB 388.00 1.4590 HrmStr1 CT C* 317.00 1.4950 HrmStr1 S S 166.00 2.0380 HrmBnd1 HW HW OW 0.00 0.00 HrmBnd1 HW OW HW 0.00 0.00 HrmBnd1 H1 CT HC 35.00 109.5000 #mimick H1-CT-HC HrmBnd1 C N H 50.00 120.0001 HrmBnd1 H1 CT H1 35.00 109.5000 HrmBnd1 S CT H1 50.00 109.5000 HrmBnd1 HC CT CT 50.00 109.5000 HrmBnd1 HC CT HC 35.00 109.5000 HrmBnd1 CT CT H1 50.00 109.5000 HrmBnd1 HP CT CT 50.00 109.5000 HrmBnd1 HP CT C 50.00 109.5000 HrmBnd1 H N3 CT 50.00 109.5000 HrmBnd1 H N3 H 35.00 109.5000 HrmBnd1 N3 CT HP 50.00 109.5000 HrmBnd1 H1 CT C 50.00 109.5000 HrmBnd1 H N CT 50.00 118.0401 HrmBnd1 N CT H1 50.00 109.5000 HrmBnd1 H N2 H 35.00 120.0001 HrmBnd1 CA N2 H 50.00 120.0001 HrmBnd1 H1 CT N2 50.00 109.5000 HrmBnd1 CT N2 H 50.00 118.4001 HrmBnd1 H1 CT SH 50.00 109.5000 HrmBnd1 CT SH HS 43.00 96.0000 HrmBnd1 HC CT C 50.00 109.5000 HrmBnd1 NB CV H4 50.00 120.0001 HrmBnd1 H5 CR NB 50.00 120.0001 HrmBnd1 H NA CR 50.00 120.0001 HrmBnd1 NA CR H5 50.00 120.0001 HrmBnd1 CC NA H 50.00 120.0001 HrmBnd1 CC CV H4 50.00 120.0001 HrmBnd1 HC CT CC 50.00 109.5000 HrmBnd1 HP CT HP 35.00 109.5000 HrmBnd1 H1 CT OH 50.00 109.5000 HrmBnd1 CT OH HO 55.00 108.5000 HrmBnd1 H N H 35.00 120.0001 HrmBnd1 HA CA CA 50.00 120.0001 HrmBnd1 HC CT CA 50.00 109.5000 HrmBnd1 C OH HO 50.00 113.0000 HrmBnd1 C CA HA 50.00 120.0001 HrmBnd1 HA CA CB 50.00 120.0001 HrmBnd1 CN CA HA 50.00 120.0001 HrmBnd1 H NA CN 50.00 123.1001 HrmBnd1 H4 CW NA 50.00 120.0001 HrmBnd1 CW NA H 50.00 120.0001 HrmBnd1 C* CW H4 50.00 120.0001 HrmBnd1 HC CT C* 50.00 109.5000 HrmBnd1 O C N 80.00 122.9001 HrmBnd1 C N CT 50.00 121.9001 HrmBnd1 CT S CT 62.00 98.9000 HrmBnd1 CT CT C 63.00 111.1000 HrmBnd1 CT CT S 50.00 114.7000 HrmBnd1 CT CT CT 40.00 109.5000 HrmBnd1 CT C O 80.00 120.4001 HrmBnd1 CT C N 70.00 116.6000 HrmBnd1 N3 CT CT 80.00 111.2000 HrmBnd1 N3 CT C 80.00 111.2000 HrmBnd1 N CT CT 80.00 109.7000 HrmBnd1 N CT C 63.00 110.1000 HrmBnd1 N2 CA N2 70.00 120.0001 HrmBnd1 CT N2 CA 50.00 123.2001 HrmBnd1 CT CT N2 80.00 111.2000 HrmBnd1 CT CT SH 50.00 108.6000 HrmBnd1 O2 C O2 80.00 126.0001 HrmBnd1 CT C O2 70.00 117.0001 HrmBnd1 CT N CT 50.00 118.0001 HrmBnd1 CR NB CV 70.00 117.0001 HrmBnd1 NA CC CV 70.00 120.0001 HrmBnd1 NA CR NB 70.00 120.0001 HrmBnd1 CC NA CR 70.00 120.0001 HrmBnd1 CC CV NB 70.00 120.0001 HrmBnd1 CT CC NA 70.00 120.0001 HrmBnd1 CT CC CV 70.00 120.0001 HrmBnd1 CT CT CC 63.00 113.1000 HrmBnd1 CT CT OH 50.00 109.5000 HrmBnd1 CA CA CA 63.00 120.0001 HrmBnd1 CT CA CA 70.00 120.0001 HrmBnd1 CT CT CA 63.00 114.0000 HrmBnd1 OH C CA 70.00 120.0001 HrmBnd1 C CA CA 63.00 120.0001 HrmBnd1 CA C CA 63.00 120.0001 HrmBnd1 CA CA CB 63.00 120.0001 HrmBnd1 CA CN CB 63.00 122.7001 HrmBnd1 CN CA CA 63.00 120.0001 HrmBnd1 CN CB CA 63.00 116.2000 HrmBnd1 NA CN CA 70.00 132.8001 HrmBnd1 NA CN CB 70.00 104.4000 HrmBnd1 CW C* CB 63.00 106.4000 HrmBnd1 CW NA CN 70.00 111.6000 HrmBnd1 C* CW NA 70.00 108.7000 HrmBnd1 C* CB CN 63.00 108.8000 HrmBnd1 C* CB CA 63.00 134.9001 HrmBnd1 CT C* CW 70.00 125.0001 HrmBnd1 CT C* CB 70.00 128.6001 HrmBnd1 CT CT C* 63.00 115.6000 HrmBnd1 S S CT 68.00 103.7000 AmbTrs CT CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs O2 C CT CT 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs O2 C CT N3 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N3 CT CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT C O 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT C N 0 0 0 0 0.200 0.200 0.400 0.000 1.0 AmbTrs CT C N CT 0 180 0 0 0.000 2.500 0.000 0.000 1.0 AmbTrs C N CT C 0 0 0 0 0.000 0.270 0.420 0.000 1.0 AmbTrs C N CT CT 0 0 0 0 2.000 2.000 0.400 0.000 1.0 AmbTrs N CT C N 180 180 180 0 0.450 1.580 0.550 0.000 1.0 AmbTrs N CT C O 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N CT CT S 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT S S 0 0 0 0 0.000 0.000 0.333 0.000 1.0 AmbTrs CT N C O 0 180 0 0 0.000 2.500 0.000 0.000 1.0 AmbTrs CT S S CT 0 0 0 0 0.000 3.500 0.600 0.000 1.0 AmbTrs S CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N CT C O2 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N CT CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT CT CT 180 180 0 0 0.200 0.250 0.180 0.000 1.0 AmbTrs CT N CT C 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT N CT CT 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs C CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N CT CT CC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT CC CV 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT CC NA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CC CV NB 0 180 0 0 0.000 5.150 0.000 0.000 1.0 AmbTrs CT CC NA CR 0 180 0 0 0.000 1.400 0.000 0.000 1.0 AmbTrs CC CV NB CR 0 180 0 0 0.000 2.400 0.000 0.000 1.0 AmbTrs CC NA CR NB 0 180 0 0 0.000 2.325 0.000 0.000 1.0 AmbTrs CC CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs NA CR NB CV 0 180 0 0 0.000 5.000 0.000 0.000 1.0 AmbTrs NA CC CV NB 0 180 0 0 0.000 5.150 0.000 0.000 1.0 AmbTrs CR NA CC CV 0 180 0 0 0.000 1.400 0.000 0.000 1.0 AmbTrs N CT CT CA 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT CA CA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CA CA CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CA CA CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N CT CT OH 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs OH CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT CT N2 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT N2 CA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT N2 CA N2 0 180 0 0 0.000 2.400 0.000 0.000 1.0 AmbTrs CA CA CA C 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CA C CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CA C OH 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs N CT CT C* 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT C* CB 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT C* CW 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT C* CB CA 0 180 0 0 0.000 1.675 0.000 0.000 1.0 AmbTrs CT C* CB CN 0 180 0 0 0.000 1.675 0.000 0.000 1.0 AmbTrs CT C* CW NA 0 180 0 0 0.000 6.525 0.000 0.000 1.0 AmbTrs C* CB CA CA 0 180 0 0 0.000 3.500 0.000 0.000 1.0 AmbTrs C* CB CN CA 0 180 0 0 0.000 3.000 0.000 0.000 1.0 AmbTrs C* CB CN NA 0 180 0 0 0.000 3.000 0.000 0.000 1.0 AmbTrs C* CW NA CN 0 180 0 0 0.000 1.500 0.000 0.000 1.0 AmbTrs C* CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CW NA CN CB 0 180 0 0 0.000 1.525 0.000 0.000 1.0 AmbTrs CW NA CN CA 0 180 0 0 0.000 1.525 0.000 0.000 1.0 AmbTrs CW C* CB CA 0 180 0 0 0.000 1.675 0.000 0.000 1.0 AmbTrs CW C* CB CN 0 180 0 0 0.000 1.675 0.000 0.000 1.0 AmbTrs NA CN CB CA 0 180 0 0 0.000 3.000 0.000 0.000 1.0 AmbTrs NA CN CA CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs NA CW C* CB 0 180 0 0 0.000 6.525 0.000 0.000 1.0 AmbTrs CN CB CA CA 0 180 0 0 0.000 3.500 0.000 0.000 1.0 AmbTrs CN CA CA CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CN CB CA 0 180 0 0 0.000 3.000 0.000 0.000 1.0 AmbTrs CA CA CA CB 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CA CN CB 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs N CT CT SH 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs SH CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N3 CT C N 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N3 CT C O 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT CT S 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT S CT 0 0 0 0 0.000 0.000 0.333 0.000 1.0 AmbTrs CT CT CT HC 0 0 0 0 0.000 0.000 0.160 0.000 1.0 AmbTrs C CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs C CT N3 H 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs O2 C CT HP 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N3 CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H N3 CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H N3 CT HP 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs HP CT CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs HP CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs HC CT CT HC 0 0 0 0 0.000 0.000 0.150 0.000 1.0 AmbTrs CT C N H 0 180 0 0 0.000 2.500 0.000 0.000 1.0 AmbTrs HC CT C O 0 0 180 0 0.800 0.000 0.080 0.000 1.0 AmbTrs HC CT C N 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs C N CT H1 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N CT CT H1 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT N H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs S S CT H1 0 0 0 0 0.000 0.000 0.333 0.000 1.0 AmbTrs S CT CT H1 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs C CT N H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs C CT CT H1 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N C CT H1 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs O2 C CT H1 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs H1 CT N H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs H N C O 0 180 0 0 2.000 2.500 0.000 0.000 1.0 AmbTrs O C CT H1 0 0 180 0 0.800 0.000 0.080 0.000 1.0 AmbTrs H1 CT CT H1 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H1 CT CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H1 CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT N CT H1 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs H1 CT CT CC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CC CV H4 0 180 0 0 0.000 5.150 0.000 0.000 1.0 AmbTrs CT CC NA H 0 180 0 0 0.000 1.400 0.000 0.000 1.0 AmbTrs HC CT CC CV 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HC CT CC NA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CC NA CR H5 0 180 0 0 0.000 2.325 0.000 0.000 1.0 AmbTrs NA CC CV H4 0 180 0 0 0.000 5.150 0.000 0.000 1.0 AmbTrs H NA CR NB 0 180 0 0 0.000 2.325 0.000 0.000 1.0 AmbTrs H NA CR H5 0 180 0 0 0.000 2.325 0.000 0.000 1.0 AmbTrs H NA CC CV 0 180 0 0 0.000 1.400 0.000 0.000 1.0 AmbTrs CR NB CV H4 0 180 0 0 0.000 2.400 0.000 0.000 1.0 AmbTrs H5 CR NB CV 0 180 0 0 0.000 5.000 0.000 0.000 1.0 AmbTrs H1 CT CT CA 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CA CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HC CT CA CA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CA CA CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HA CA CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HC CT C O2 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT OH HO 0 0 0 0 0.250 0.000 0.160 0.000 1.0 AmbTrs H1 CT CT OH 0 0 0 0 0.250 0.000 0.000 0.000 1.0 AmbTrs H1 CT OH HO 0 0 0 0 0.000 0.000 0.167 0.000 1.0 AmbTrs HC CT CT OH 0 0 0 0 0.250 0.000 0.000 0.000 1.0 AmbTrs CT CT N2 H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HC CT CT N2 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H1 CT N2 CA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs H1 CT N2 H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N2 CA N2 H 0 180 0 0 0.000 2.400 0.000 0.000 1.0 AmbTrs HA CA CA C 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA C CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA C OH HO 0 180 0 0 0.000 2.300 0.000 0.000 1.0 AmbTrs HA CA C OH 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs H1 CT CT C* 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT C* CW H4 0 180 0 0 0.000 6.525 0.000 0.000 1.0 AmbTrs HC CT C* CB 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HC CT C* CW 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs C* CB CA HA 0 180 0 0 0.000 3.500 0.000 0.000 1.0 AmbTrs C* CW NA H 0 180 0 0 0.000 1.500 0.000 0.000 1.0 AmbTrs H4 CW NA CN 0 180 0 0 0.000 1.500 0.000 0.000 1.0 AmbTrs H4 CW NA H 0 180 0 0 0.000 1.500 0.000 0.000 1.0 AmbTrs H4 CW C* CB 0 180 0 0 0.000 6.525 0.000 0.000 1.0 AmbTrs NA CN CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs H NA CN CB 0 180 0 0 0.000 1.525 0.000 0.000 1.0 AmbTrs H NA CN CA 0 180 0 0 0.000 1.525 0.000 0.000 1.0 AmbTrs CN CB CA HA 0 180 0 0 0.000 3.500 0.000 0.000 1.0 AmbTrs CN CA CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HA CA CN CB 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HA CA CA CB 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CT CT SH HS 0 0 0 0 0.000 0.000 0.250 0.000 1.0 AmbTrs H1 CT CT SH 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H1 CT SH HS 0 0 0 0 0.000 0.000 0.250 0.000 1.0 AmbTrs HP CT C N 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HP CT C O 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HC CT CT S 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT S CT H1 0 0 0 0 0.000 0.000 0.333 0.000 1.0 ImpTrs CT O2 C O2 10.5 180.0 2.0 ImpTrs CT N C O 10.5 180.0 2.0 ImpTrs C CT N CT 1.0 180.0 2.0 ImpTrs CT CV CC NA 1.1 180.0 2.0 ImpTrs CA CA CA CT 1.1 180.0 2.0 ImpTrs N2 N2 CA N2 10.5 180.0 2.0 ImpTrs CA CA C OH 1.1 180.0 2.0 ImpTrs CB CT C* CW 1.1 180.0 2.0 ImpTrs C CT N H 1.1 180.0 2.0 ImpTrs C H N H 1.0 180.0 2.0 ImpTrs CC CR NA H 1.0 180.0 2.0 ImpTrs NA NB CR H5 1.1 180.0 2.0 ImpTrs CC NB CV H4 1.1 180.0 2.0 ImpTrs CA CA CA HA 1.1 180.0 2.0 ImpTrs CT CA N2 H 1.0 180.0 2.0 ImpTrs CA H N2 H 1.0 180.0 2.0 ImpTrs CA C CA HA 1.1 180.0 2.0 ImpTrs C* NA CW H4 1.1 180.0 2.0 ImpTrs CW CN NA H 1.0 180.0 2.0 ImpTrs CN CA CA HA 1.1 180.0 2.0 ImpTrs CA CB CA HA 1.1 180.0 2.0 --Link1-- %mem=54GB %nprocshared=16 %chk=domain-ab-TS3.chk # oniom(mpwpw91/6-31g(d):amber=softfirst)=embedcharge iop(3/76=0594004060) nosymm freq=(noraman,savenormalmodes,modelmodes) geom=connectivity temperature=310 pressure=1.0 11_GSHred_Cys53-Cys56.rtf -11 1 0 1 0 1 C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=47) 0 -13.477166 -7.015568 0.681861 H H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=47) 0 -12.814905 -7.622438 1.296667 H H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=47) 0 -13.699120 -6.140338 1.286778 H C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=47) 0 -14.787096 -7.766310 0.487903 H H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=47) 0 -15.505298 -7.186833 -0.100858 H H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=47) 0 -14.656267 -8.715584 -0.030184 H C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=47) 0 -15.446672 -7.981028 1.840272 H O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=47) 0 -16.029261 -9.150923 2.062855 H O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=47) 0 -15.459761 -7.143982 2.704082 H C-CT--0.027500(PDBName=CA,ResName=TRP,ResNum=52) 0 -24.931605 -13.777892 -3.493946 L H-H1-0.112300(PDBName=HA,ResName=TRP,ResNum=52) 0 -25.581195 -13.947606 -2.633708 L C-C-0.597300(PDBName=C,ResName=TRP,ResNum=52) 0 -23.787114 -14.802781 -3.384052 L O-O--0.567900(PDBName=O,ResName=TRP,ResNum=52) 0 -24.116698 -15.984778 -3.230090 L N-N--0.415700(PDBName=N,ResName=CYM,ResNum=53) 0 -22.495791 -14.427508 -3.466157 L H-HC 16 0.0000 H-H-0.271900(PDBName=H,ResName=CYM,ResNum=53) 0 -22.233323 -13.449758 -3.517357 L C-CT--0.035100(PDBName=CA,ResName=CYM,ResNum=53) 0 -21.452786 -15.407617 -3.758648 H H-H1-0.050800(PDBName=HA,ResName=CYM,ResNum=53) 0 -21.893033 -16.161226 -4.407509 H C-CT--0.241300(PDBName=CB,ResName=CYM,ResNum=53) 0 -20.361875 -14.773009 -4.639141 H H-H1-0.112200(PDBName=HB3,ResName=CYM,ResNum=53) 0 -20.645638 -13.810186 -5.050905 H H-H1-0.112200(PDBName=HB2,ResName=CYM,ResNum=53) 0 -20.173083 -15.424113 -5.499999 H S-SH--0.884400(PDBName=SG,ResName=CYM,ResNum=53) 0 -18.687634 -14.638665 -4.009188 H C-C-0.597300(PDBName=C,ResName=CYM,ResNum=53) 0 -21.043865 -16.088261 -2.479822 H O-O--0.567900(PDBName=O,ResName=CYM,ResNum=53) 0 -20.747074 -15.453839 -1.471738 H N-N--0.415700(PDBName=N,ResName=GLY,ResNum=54) 0 -21.012997 -17.433334 -2.489240 H H-H-0.271900(PDBName=H,ResName=GLY,ResNum=54) 0 -21.452755 -17.915103 -3.268197 H C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=54) 0 -20.781779 -18.168244 -1.268824 H H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=54) 0 -21.550205 -17.980480 -0.522212 H H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=54) 0 -20.788655 -19.231983 -1.504241 H C-C-0.597300(PDBName=C,ResName=GLY,ResNum=54) 0 -19.448509 -17.816019 -0.638502 H O-O--0.567900(PDBName=O,ResName=GLY,ResNum=54) 0 -19.316654 -17.650877 0.567221 H N-N--0.415700(PDBName=N,ResName=HID,ResNum=55) 0 -18.442763 -17.694968 -1.506840 H H-H-0.271900(PDBName=H,ResName=HID,ResNum=55) 0 -18.617587 -17.924072 -2.472411 H C-CT-0.018800(PDBName=CA,ResName=HID,ResNum=55) 0 -17.093727 -17.352000 -1.139352 H H-H1-0.088100(PDBName=HA,ResName=HID,ResNum=55) 0 -16.722146 -18.037886 -0.377774 H C-CT--0.046200(PDBName=CB,ResName=HID,ResNum=55) 0 -16.245264 -17.466557 -2.422838 H H-HC-0.040200(PDBName=HB2,ResName=HID,ResNum=55) 0 -16.656357 -16.803201 -3.185476 H H-HC-0.040200(PDBName=HB3,ResName=HID,ResNum=55) 0 -15.235710 -17.124150 -2.226561 H C-CC--0.026600(PDBName=CG,ResName=HID,ResNum=55) 0 -16.250506 -18.856591 -2.955134 H N-NA--0.381100(PDBName=ND1,ResName=HID,ResNum=55) 0 -15.463908 -19.866205 -2.447002 H H-H-0.364900(PDBName=HD1,ResName=HID,ResNum=55) 0 -14.552544 -19.750875 -2.021462 H C-CR-0.205700(PDBName=CE1,ResName=HID,ResNum=55) 0 -15.801806 -20.998771 -3.091461 H H-H5-0.139200(PDBName=HE1,ResName=HID,ResNum=55) 0 -15.295958 -21.933863 -2.927300 H N-NB--0.572700(PDBName=NE2,ResName=HID,ResNum=55) 0 -16.787083 -20.807564 -3.929334 H C-CV-0.129200(PDBName=CD2,ResName=HID,ResNum=55) 0 -17.062430 -19.464182 -3.870501 H H-H4-0.114700(PDBName=HD2,ResName=HID,ResNum=55) 0 -17.776341 -19.001707 -4.537851 H C-C-0.597300(PDBName=C,ResName=HID,ResNum=55) 0 -17.045981 -15.960590 -0.496735 H O-O--0.567900(PDBName=O,ResName=HID,ResNum=55) 0 -16.345251 -15.697311 0.472096 H N-N--0.415700(PDBName=N,ResName=CYS,ResNum=56) 0 -17.850324 -15.059312 -1.066303 H H-H-0.271900(PDBName=H,ResName=CYS,ResNum=56) 0 -18.387245 -15.331947 -1.876237 H C-CT-0.021300(PDBName=CA,ResName=CYS,ResNum=56) 0 -17.974805 -13.709331 -0.594991 H H-H1-0.112400(PDBName=HA,ResName=CYS,ResNum=56) 0 -17.001755 -13.223561 -0.557241 H C-CT--0.123100(PDBName=CB,ResName=CYS,ResNum=56) 0 -18.931608 -12.908424 -1.474903 H H-H1-0.111200(PDBName=HB2,ResName=CYS,ResNum=56) 0 -19.939895 -13.306466 -1.424984 H H-H1-0.111200(PDBName=HB3,ResName=CYS,ResNum=56) 0 -18.930124 -11.886159 -1.107906 H S-SH--0.311900(PDBName=SG,ResName=CYS,ResNum=56) 0 -18.440311 -12.772625 -3.203182 H H-HS-0.193300(PDBName=HG,ResName=CYS,ResNum=56) 0 -17.919304 -10.069793 0.275102 H C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=120) 0 -11.757150 -15.862373 1.360588 H H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=120) 0 -12.053111 -16.905565 1.461196 H H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=120) 0 -12.562095 -15.228845 1.728448 H N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=120) 0 -11.436831 -15.539478 -0.008106 H H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=120) 0 -10.531367 -15.134576 -0.212870 H C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=120) 0 -12.043290 -16.092223 -1.051343 H N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=120) 0 -13.158516 -16.799101 -0.901428 H H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=120) 0 -13.567179 -16.924817 0.003858 H H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=120) 0 -13.362139 -17.446663 -1.668892 H N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=120) 0 -11.570621 -15.899984 -2.271967 H H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=120) 0 -10.638576 -15.539416 -2.398791 H H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=120) 0 -12.019565 -16.343232 -3.063924 H C-CT-0.090430(PDBName=C1,ResName=GDS,ResNum=238) 0 -11.871934 -19.321271 -4.810449 H C-C-0.795436(PDBName=C15,ResName=GDS,ResNum=238) 0 -12.580084 -19.158821 -3.466163 H O-O2--0.768529(PDBName=O1,ResName=GDS,ResNum=238) 0 -12.611584 -20.131737 -2.683689 H O-O2--0.768529(PDBName=O2,ResName=GDS,ResNum=238) 0 -13.111390 -18.049392 -3.269225 H N-N3--0.516764(PDBName=N1,ResName=GDS,ResNum=238) 0 -10.953621 -20.487955 -4.732545 H H-H-0.336685(PDBName=H21,ResName=GDS,ResNum=238) 0 -11.459092 -21.368964 -4.651500 H H-H-0.336685(PDBName=H22,ResName=GDS,ResNum=238) 0 -10.335950 -20.414682 -3.913877 H H-H-0.336685(PDBName=H25,ResName=GDS,ResNum=238) 0 -10.362029 -20.563931 -5.569544 H H-HP-0.075961(PDBName=H5,ResName=GDS,ResNum=238) 0 -11.240917 -18.451876 -4.980366 H C-CT-0.021774(PDBName=C7,ResName=GDS,ResNum=238) 0 -12.848325 -19.492619 -5.976449 H H-HC-0.040870(PDBName=H9,ResName=GDS,ResNum=238) 0 -13.575227 -20.269895 -5.733434 H H-HC-0.040870(PDBName=H10,ResName=GDS,ResNum=238) 0 -12.293916 -19.834061 -6.850786 H C-CT--0.669382(PDBName=C11,ResName=GDS,ResNum=238) 0 -13.554266 -18.186244 -6.305688 H H-HC-0.225501(PDBName=H17,ResName=GDS,ResNum=238) 0 -14.040977 -17.773595 -5.425994 H H-HC-0.225501(PDBName=H18,ResName=GDS,ResNum=238) 0 -12.812709 -17.455319 -6.631916 H C-C-1.051032(PDBName=C13,ResName=GDS,ResNum=238) 0 -14.537303 -18.286941 -7.446263 H N-N--0.847389(PDBName=N2,ResName=GDS,ResNum=238) 0 -15.551542 -17.423810 -7.401270 H C-CT-0.125808(PDBName=C2,ResName=GDS,ResNum=238) 0 -16.461069 -17.275018 -8.502133 H C-CT--0.228215(PDBName=C8,ResName=GDS,ResNum=238) 0 -17.714299 -16.521290 -8.047482 H S-S--0.127891(PDBName=S1,ResName=GDS,ResNum=238) 0 -18.707885 -17.320772 -6.751547 H S-S--0.127891(PDBName=S2,ResName=GDS,ResNum=238) 0 -19.145063 -19.864950 -9.090058 H C-CT--0.228215(PDBName=C9,ResName=GDS,ResNum=238) 0 -20.415740 -19.125982 -10.128447 H C-CT-0.125808(PDBName=C5,ResName=GDS,ResNum=238) 0 -21.765988 -18.893696 -9.440698 H C-C-0.499365(PDBName=C19,ResName=GDS,ResNum=238) 0 -22.783264 -18.724010 -10.561039 H N-N--0.214693(PDBName=N4,ResName=GDS,ResNum=238) 0 -23.368821 -17.519544 -10.666035 H C-CT--0.457591(PDBName=C4,ResName=GDS,ResNum=238) 0 -24.398856 -17.180417 -11.600710 H H-H1-0.143996(PDBName=H3,ResName=GDS,ResNum=238) 0 -25.290849 -17.788832 -11.514848 H H-H1-0.143996(PDBName=H4,ResName=GDS,ResNum=238) 0 -24.087239 -17.161224 -12.639946 H H-H-0.267948(PDBName=H30,ResName=GDS,ResNum=238) 0 -23.186010 -16.774028 -10.023273 H O-O--0.591564(PDBName=O11,ResName=GDS,ResNum=238) 0 -23.019489 -19.623812 -11.354028 H N-N--0.847389(PDBName=N5,ResName=GDS,ResNum=238) 0 -22.177587 -19.983754 -8.608689 H C-C-1.051032(PDBName=C14,ResName=GDS,ResNum=238) 0 -22.839541 -19.810399 -7.462270 H C-CT--0.669382(PDBName=C12,ResName=GDS,ResNum=238) 0 -23.282703 -21.118323 -6.835578 H H-HC-0.225501(PDBName=H19,ResName=GDS,ResNum=238) 0 -22.425366 -21.595478 -6.373746 H H-HC-0.225501(PDBName=H20,ResName=GDS,ResNum=238) 0 -23.644886 -21.753299 -7.642891 H O-O--0.715130(PDBName=O12,ResName=GDS,ResNum=238) 0 -23.021772 -18.716217 -6.917832 H H-H-0.433401(PDBName=H28,ResName=GDS,ResNum=238) 0 -22.044393 -20.928173 -8.983182 H H-H1-0.041154(PDBName=H7,ResName=GDS,ResNum=238) 0 -21.715912 -18.005832 -8.820497 H H-H1-0.190294(PDBName=H13,ResName=GDS,ResNum=238) 0 -20.568985 -19.797069 -10.970214 H H-H1-0.190294(PDBName=H14,ResName=GDS,ResNum=238) 0 -20.100510 -18.164913 -10.547394 H H-H1-0.190294(PDBName=H11,ResName=GDS,ResNum=238) 0 -18.338970 -16.369140 -8.924272 H H-H1-0.190294(PDBName=H12,ResName=GDS,ResNum=238) 0 -17.396378 -15.535655 -7.712193 H C-C-0.499365(PDBName=C16,ResName=GDS,ResNum=238) 0 -15.758629 -16.490176 -9.618518 H O-O--0.591564(PDBName=O10,ResName=GDS,ResNum=238) 0 -14.918554 -15.643304 -9.347484 H N-N--0.214693(PDBName=N3,ResName=GDS,ResNum=238) 0 -16.098718 -16.767112 -10.885843 H C-CT--0.457591(PDBName=C3,ResName=GDS,ResNum=238) 0 -15.589926 -15.975216 -12.014633 L H-H 113 0.0000 C-C-1.004947(PDBName=C17,ResName=GDS,ResNum=238) 0 -16.626744 -15.004318 -12.553623 L O-O2--0.856478(PDBName=O3,ResName=GDS,ResNum=238) 0 -17.742268 -15.483754 -12.858188 L O-O2--0.856478(PDBName=O4,ResName=GDS,ResNum=238) 0 -16.346742 -13.788620 -12.666920 L H-H1-0.143996(PDBName=H1,ResName=GDS,ResNum=238) 0 -15.322422 -16.630800 -12.838163 L H-H1-0.143996(PDBName=H2,ResName=GDS,ResNum=238) 0 -14.722103 -15.382026 -11.742074 L H-H-0.267948(PDBName=H29,ResName=GDS,ResNum=238) 0 -16.699011 -17.557807 -11.142124 H H-H1-0.041154(PDBName=H6,ResName=GDS,ResNum=238) 0 -16.737617 -18.262041 -8.865343 H H-H-0.433401(PDBName=H27,ResName=GDS,ResNum=238) 0 -15.627210 -16.761257 -6.643613 H O-O--0.715130(PDBName=O9,ResName=GDS,ResNum=238) 0 -14.388559 -19.071723 -8.378850 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=252) 0 -17.247107 -19.150354 -11.758162 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=252) 0 -18.074271 -19.081486 -12.294143 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=252) 0 -17.570249 -19.580657 -10.951993 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=254) 0 -16.366433 -23.576290 -4.762240 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=254) 0 -16.712174 -22.673246 -4.740853 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=254) 0 -16.295341 -23.789045 -5.693718 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=256) 0 -20.145251 -13.323256 -7.169544 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=256) 0 -19.627404 -13.049067 -7.934661 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=256) 0 -20.833151 -13.872945 -7.571550 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=268) 0 -22.968259 -18.334114 -4.275615 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=268) 0 -22.936590 -18.516338 -5.257189 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=268) 0 -23.664685 -17.645712 -4.275429 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=373) 0 -17.202150 -10.710696 0.295482 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=373) 0 -16.136468 -9.700809 1.264063 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=373) 0 -17.496962 -11.411166 0.905025 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=800) 0 413.795267 -10.621262 -28.816037 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=800) 0 413.189233 -11.358370 -28.891226 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=800) 0 413.231824 -9.862568 -28.663816 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1001) 0 -19.295887 -15.342454 -10.790589 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1001) 0 -20.217210 -15.351359 -11.147431 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1001) 0 -18.797294 -15.446640 -11.634679 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1076) 0 -13.478094 -19.659327 -11.812901 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1076) 0 -13.185282 -18.842190 -12.255562 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1076) 0 -14.199758 -19.388505 -11.239955 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1088) 0 -19.382165 -23.787659 -9.745292 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1088) 0 -19.434644 -24.389289 -10.489035 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1088) 0 -20.114915 -23.166530 -9.893813 H C-C-0.597300(PDBName=C,ResName=CYS,ResNum=56) 0 -18.556039 -13.683065 0.808615 H O-O--0.567900(PDBName=O,ResName=CYS,ResNum=56) 0 -18.206483 -12.866270 1.656033 H N-N--0.347900(PDBName=N,ResName=LYS,ResNum=57) 0 -19.526564 -14.573525 1.004193 H H-H-0.274700(PDBName=H,ResName=LYS,ResNum=57) 0 -19.822086 -15.195261 0.260352 H C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=81) 0 -18.711291 -4.068896 3.412077 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=81) 0 -19.232034 -4.792283 2.783109 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=81) 0 -18.161092 -4.598116 4.191981 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=81) 0 -19.715049 -3.101168 4.050503 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=81) 0 -19.236982 -2.593001 4.895020 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=81) 0 -19.962208 -2.345289 3.300104 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=81) 0 -20.980751 -3.737917 4.480452 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=81) 0 -21.655060 -3.010383 4.723090 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=81) 0 -21.392693 -4.265988 3.726230 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=81) 0 -20.880989 -4.326529 5.303288 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=241) 0 -21.206806 -3.585119 1.153683 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=241) 0 -21.164044 -3.023937 0.359569 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=241) 0 -22.067198 -3.290828 1.532564 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=247) 0 -11.889630 -19.508197 -9.417422 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=247) 0 -12.764519 -19.447362 -9.006727 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=247) 0 -12.110144 -19.726981 -10.332618 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=290) 0 -24.340063 -21.983831 -10.409686 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=290) 0 -24.965805 -21.395358 -9.934997 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=290) 0 -23.935544 -21.356355 -11.025503 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=300) 0 -20.558833 -23.613239 -4.804106 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=300) 0 -21.494308 -23.345779 -4.684065 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=300) 0 -20.040562 -23.203028 -4.100953 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=510) 0 -19.124476 -22.221402 -2.649218 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=510) 0 -18.470942 -22.508922 -1.989737 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=510) 0 -18.585727 -21.702567 -3.262420 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=702) 0 -21.689778 -17.704602 -13.293388 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=702) 0 -22.380331 -18.269892 -12.927049 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=702) 0 -21.780043 -16.890953 -12.764081 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=714) 0 -19.398210 -19.254250 -13.358521 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=714) 0 -20.174104 -18.671902 -13.254397 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=714) 0 -18.987315 -18.951827 -14.188123 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=928) 0 -21.876563 -22.632929 -9.400870 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=928) 0 -22.786685 -22.681823 -9.747012 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=928) 0 -21.781077 -23.192648 -8.608794 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1135) 0 -17.510790 -7.194948 4.952531 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1135) 0 -16.812888 -7.246252 4.287340 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1135) 0 -17.292568 -7.880594 5.596036 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1274) 0 -26.580503 -6.388985 21.063519 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1274) 0 -26.730729 -7.240820 20.642248 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1274) 0 -25.744762 -6.104958 20.626884 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1283) 0 -20.824662 -24.209134 -7.450216 H H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1283) 0 -20.438393 -23.876194 -6.623047 H H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1283) 0 -20.120428 -24.260424 -8.119115 H O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=249) 0 -12.254273 -15.368938 -5.161284 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=249) 0 -13.208850 -15.419725 -5.351220 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=249) 0 -12.161179 -14.417704 -4.940893 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=265) 0 -24.290491 -18.726049 -1.811222 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=265) 0 -23.702891 -18.772345 -2.589945 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=265) 0 -23.908793 -19.429551 -1.245868 L N-N3-0.159200(PDBName=N,ResName=MET,ResNum=1) 0 -13.485835 23.400409 -13.250223 L H-H-0.198400(PDBName=H1,ResName=MET,ResNum=1) 0 -13.969996 22.532884 -13.437764 L H-H-0.198400(PDBName=H2,ResName=MET,ResNum=1) 0 -12.534988 23.184572 -12.972259 L H-H-0.198400(PDBName=H3,ResName=MET,ResNum=1) 0 -13.438262 23.931522 -14.111453 L C-CT-0.022100(PDBName=CA,ResName=MET,ResNum=1) 0 -14.192165 24.160872 -12.203839 L H-HP-0.111600(PDBName=HA,ResName=MET,ResNum=1) 0 -13.705441 25.129492 -12.091180 L C-CT-0.086500(PDBName=CB,ResName=MET,ResNum=1) 0 -15.655580 24.395482 -12.612467 L H-HC-0.012500(PDBName=HB2,ResName=MET,ResNum=1) 0 -15.677109 24.820598 -13.616461 L H-HC-0.012500(PDBName=HB3,ResName=MET,ResNum=1) 0 -16.182981 23.443058 -12.636470 L C-CT-0.033400(PDBName=CG,ResName=MET,ResNum=1) 0 -16.403795 25.350338 -11.678271 L H-H1-0.029200(PDBName=HG2,ResName=MET,ResNum=1) 0 -16.324423 24.991903 -10.651604 L H-H1-0.029200(PDBName=HG3,ResName=MET,ResNum=1) 0 -15.936308 26.333349 -11.744182 L S-S--0.277400(PDBName=SD,ResName=MET,ResNum=1) 0 -18.162834 25.517433 -12.081254 L C-CT--0.034100(PDBName=CE,ResName=MET,ResNum=1) 0 -18.596526 26.953272 -11.065863 L H-H1-0.059700(PDBName=HE1,ResName=MET,ResNum=1) 0 -17.955042 27.797636 -11.321365 L H-H1-0.059700(PDBName=HE2,ResName=MET,ResNum=1) 0 -19.638325 27.224257 -11.238860 L H-H1-0.059700(PDBName=HE3,ResName=MET,ResNum=1) 0 -18.467172 26.705867 -10.014040 L C-C-0.612300(PDBName=C,ResName=MET,ResNum=1) 0 -14.054352 23.407932 -10.887682 L O-O--0.571300(PDBName=O,ResName=MET,ResNum=1) 0 -14.882926 22.557682 -10.554483 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=2) 0 -12.963476 23.664333 -10.168048 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=2) 0 -12.362884 24.430466 -10.463520 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=2) 0 -12.586771 22.939123 -8.958450 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=2) 0 -12.957663 21.919351 -9.048686 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=2) 0 -11.048121 22.873347 -8.880527 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=2) 0 -10.681106 22.342343 -9.759373 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=2) 0 -10.644193 23.887027 -8.907774 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=2) 0 -10.508484 22.170675 -7.620368 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=2) 0 -10.720672 22.777333 -6.741945 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=2) 0 -11.123369 20.791473 -7.414714 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=2) 0 -10.916998 20.153874 -8.274212 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=2) 0 -10.693433 20.342747 -6.523077 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=2) 0 -12.194531 20.863975 -7.252937 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=2) 0 -8.997841 22.011675 -7.725640 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=2) 0 -8.546531 22.993347 -7.842704 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=2) 0 -8.611413 21.552690 -6.815118 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=2) 0 -8.740455 21.384071 -8.578860 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=2) 0 -13.242314 23.556297 -7.717134 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=2) 0 -12.648829 24.407749 -7.050726 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=3) 0 -14.474777 23.140048 -7.404650 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=3) 0 -14.937896 22.485561 -8.024546 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=3) 0 -15.195462 23.575396 -6.197174 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=3) 0 -14.479510 23.569942 -5.376186 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=3) 0 -15.686811 25.022220 -6.406759 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=3) 0 -15.201106 25.451675 -7.280931 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=3) 0 -16.757275 25.046812 -6.592257 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=3) 0 -15.333700 25.902892 -5.203718 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=3) 0 -15.954295 25.616762 -4.357852 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=3) 0 -14.283761 25.762716 -4.941774 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=3) 0 -15.551222 27.381447 -5.531140 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=3) 0 -14.908990 27.642005 -6.372183 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=3) 0 -16.587000 27.547948 -5.826837 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=3) 0 -15.214143 28.243475 -4.389857 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=3) 0 -14.333679 28.740033 -4.414964 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=3) 0 -15.922710 28.404242 -3.291639 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=3) 0 -17.080725 27.847697 -3.101850 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=3) 0 -17.498091 27.274551 -3.825694 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=3) 0 -17.537498 27.982560 -2.219110 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=3) 0 -15.453301 29.131276 -2.330206 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=3) 0 -14.555707 29.580575 -2.453428 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=3) 0 -15.917349 29.145017 -1.431490 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=3) 0 -16.314136 22.606358 -5.790477 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=3) 0 -16.672221 21.722610 -6.565172 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=4) 0 -16.779674 22.735805 -4.543040 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=4) 0 -16.370882 23.494338 -4.006348 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=4) 0 -17.718284 21.887024 -3.778041 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=4) 0 -17.303595 21.873382 -2.770526 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=4) 0 -19.105202 22.532025 -3.634411 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=4) 0 -18.995310 23.598707 -3.431728 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=4) 0 -19.674689 22.408713 -4.550910 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=4) 0 -19.865653 21.884945 -2.469826 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=4) 0 -19.857279 20.799019 -2.570426 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=4) 0 -19.374151 22.152315 -1.534654 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=4) 0 -21.320844 22.344940 -2.442138 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=4) 0 -21.362082 23.433338 -2.366459 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=4) 0 -21.788020 22.031186 -3.375906 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=4) 0 -22.030869 21.738093 -1.307143 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=4) 0 -21.463409 21.395761 -0.537555 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=4) 0 -23.333575 21.626262 -1.157426 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=4) 0 -24.183142 22.084656 -2.025797 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=4) 0 -23.856212 22.518615 -2.884468 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=4) 0 -25.171092 21.982028 -1.841176 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=4) 0 -23.834551 21.034913 -0.117476 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=4) 0 -23.244508 20.586047 0.574994 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=4) 0 -24.841311 20.946318 -0.081872 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=4) 0 -17.759195 20.405841 -4.160743 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=4) 0 -17.051423 19.627467 -3.532664 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=5) 0 -18.561293 20.004216 -5.148844 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=5) 0 -19.081842 20.704960 -5.665856 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=5) 0 -18.692485 18.604314 -5.572647 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=5) 0 -18.814960 17.996110 -4.674196 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=5) 0 -19.973516 18.461716 -6.404653 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=5) 0 -19.871517 19.009873 -7.340989 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=5) 0 -20.153384 17.409085 -6.627322 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=5) 0 -20.826135 18.851830 -5.847530 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=5) 0 -17.447469 18.041541 -6.299180 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=5) 0 -17.484242 16.912731 -6.794445 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=6) 0 -16.362458 18.818092 -6.376953 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=6) 0 -16.467407 19.782171 -6.091607 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=6) 0 -15.046192 18.400146 -6.858610 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=6) 0 -15.061974 17.318540 -6.996669 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=6) 0 -14.802582 19.093862 -8.214877 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=6) 0 -15.756432 19.297379 -8.705935 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=6) 0 -14.324331 20.055614 -8.031162 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=6) 0 -13.940471 18.260683 -9.177368 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=6) 0 -13.074424 17.848118 -8.662515 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=6) 0 -14.760040 17.120744 -9.775527 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=6) 0 -15.631150 17.517955 -10.290043 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=6) 0 -14.149407 16.563169 -10.480809 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=6) 0 -15.091721 16.442962 -8.991483 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=6) 0 -13.446417 19.139214 -10.322701 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=6) 0 -12.757563 19.884110 -9.932769 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=6) 0 -12.917326 18.523316 -11.048611 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=6) 0 -14.283973 19.637216 -10.807643 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=6) 0 -13.903146 18.688252 -5.860224 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=6) 0 -12.741668 18.423932 -6.178753 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=7) 0 -14.179299 19.246008 -4.673562 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=7) 0 -15.145574 19.258147 -4.362709 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=7) 0 -13.163911 19.842390 -3.792230 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=7) 0 -12.176095 19.487142 -4.090106 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=7) 0 -13.206417 21.370000 -3.998060 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=7) 0 -13.008070 21.585052 -5.048218 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=7) 0 -14.213784 21.714802 -3.764048 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=7) 0 -12.218277 22.175601 -3.133900 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=7) 0 -12.429940 22.012667 -2.077406 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=7) 0 -10.767807 21.795304 -3.415548 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=7) 0 -10.546628 21.884194 -4.478088 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=7) 0 -10.109542 22.457920 -2.860865 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=7) 0 -10.570031 20.775177 -3.089444 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=7) 0 -12.381990 23.666556 -3.425038 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=7) 0 -13.404501 23.974832 -3.213561 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=7) 0 -11.710349 24.240843 -2.786622 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=7) 0 -12.144253 23.870336 -4.467099 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=7) 0 -13.352244 19.483533 -2.309677 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=7) 0 -14.339831 19.881942 -1.688534 L N-N--0.415700(PDBName=N,ResName=CYS,ResNum=8) 0 -12.341788 18.853642 -1.707058 L H-H-0.271900(PDBName=H,ResName=CYS,ResNum=8) 0 -11.556921 18.544286 -2.271657 L C-CT-0.021300(PDBName=CA,ResName=CYS,ResNum=8) 0 -12.244629 18.698975 -0.256372 L H-H1-0.112400(PDBName=HA,ResName=CYS,ResNum=8) 0 -13.193366 18.309267 0.117870 L C-CT--0.123100(PDBName=CB,ResName=CYS,ResNum=8) 0 -11.143411 17.688281 0.074080 L H-H1-0.111200(PDBName=HB2,ResName=CYS,ResNum=8) 0 -11.250548 16.814295 -0.562695 L H-H1-0.111200(PDBName=HB3,ResName=CYS,ResNum=8) 0 -10.160018 18.126979 -0.102594 L S-SH--0.311900(PDBName=SG,ResName=CYS,ResNum=8) 0 -11.297715 17.199051 1.815158 L H-HS-0.193300(PDBName=HG,ResName=CYS,ResNum=8) 0 -12.385834 16.427554 1.651300 L C-C-0.597300(PDBName=C,ResName=CYS,ResNum=8) 0 -11.966605 20.057585 0.404037 L O-O--0.567900(PDBName=O,ResName=CYS,ResNum=8) 0 -10.837431 20.552305 0.394804 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=9) 0 -12.999199 20.682497 0.963923 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=9) 0 -13.903643 20.227204 0.950942 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=9) 0 -12.917948 22.005794 1.577700 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=9) 0 -12.093702 22.547293 1.113522 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=9) 0 -14.235782 22.737882 1.275877 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=9) 0 -14.594272 22.459173 0.283092 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=9) 0 -14.982629 22.413872 2.000555 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=9) 0 -14.104227 24.262402 1.329798 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=9) 0 -13.561228 24.543874 2.228464 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=9) 0 -13.380564 24.809344 0.095433 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=9) 0 -13.933014 24.579125 -0.809023 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=9) 0 -13.273662 25.888670 0.175155 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=9) 0 -12.387059 24.375068 0.006081 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=9) 0 -15.494675 24.880643 1.401458 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=9) 0 -15.959535 24.601908 2.345987 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=9) 0 -15.415520 25.962997 1.355557 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=9) 0 -16.111116 24.523192 0.580120 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=9) 0 -12.620862 21.901294 3.082907 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=9) 0 -13.047421 20.938010 3.721995 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=10) 0 -11.918045 22.882857 3.655772 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=10) 0 -11.606599 23.655745 3.079013 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=10) 0 -11.553017 22.919759 5.076479 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=10) 0 -11.250391 21.920628 5.390801 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=10) 0 -10.341973 23.851259 5.233781 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=10) 0 -10.605036 24.868371 4.940812 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=10) 0 -10.015860 23.850894 6.274532 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=10) 0 -9.520081 23.503273 4.607760 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=10) 0 -12.753033 23.347938 5.944858 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=10) 0 -12.962887 24.541645 6.182543 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=11) 0 -13.613137 22.397698 6.328571 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=11) 0 -13.386455 21.431634 6.104073 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=11) 0 -14.969037 22.691058 6.836496 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=11) 0 -14.905717 23.562733 7.487635 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=11) 0 -15.838187 23.070364 5.609436 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=11) 0 -15.200794 23.604056 4.902878 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=11) 0 -16.388600 21.865373 4.843188 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=11) 0 -17.291195 21.471535 5.306741 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=11) 0 -16.617918 22.166138 3.826287 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=11) 0 -15.635072 21.079557 4.800621 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=11) 0 -16.942566 24.072192 5.955471 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=11) 0 -16.511934 24.931114 6.470952 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=11) 0 -17.402672 24.426064 5.035766 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=11) 0 -17.710997 23.626405 6.578993 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=11) 0 -15.537126 21.536637 7.693870 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=11) 0 -14.774130 20.700136 8.183508 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=12) 0 -16.856364 21.503941 7.918566 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=12) 0 -17.413061 22.256745 7.547396 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=12) 0 -17.589802 20.383495 8.513022 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=12) 0 -16.956953 19.493984 8.511691 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=12) 0 -17.907326 20.731078 9.974031 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=12) 0 -18.516167 21.634776 10.025838 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=12) 0 -18.452282 19.905615 10.433902 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=12) 0 -16.979060 20.887189 10.525200 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=12) 0 -18.851479 20.044268 7.685404 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=12) 0 -19.944414 20.564499 7.932870 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=13) 0 -18.700089 19.195466 6.670651 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=13) 0 -17.759264 18.852750 6.488843 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=13) 0 -19.770019 18.630657 5.842991 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=13) 0 -20.736817 18.951460 6.228159 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=13) 0 -19.624008 19.174913 4.416031 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=13) 0 -18.657112 18.881703 4.002296 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=13) 0 -20.415068 18.774368 3.781203 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=13) 0 -19.692726 20.263151 4.425496 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=13) 0 -19.744193 17.089574 5.890359 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=13) 0 -18.694318 16.504928 6.168855 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=14) 0 -20.883240 16.438306 5.620366 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=14) 0 -21.694405 17.008230 5.421915 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=14) 0 -21.095440 14.978737 5.655600 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=14) 0 -22.172818 14.825303 5.581134 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=14) 0 -20.510796 14.353971 4.371157 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=14) 0 -21.086988 14.740934 3.529059 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=14) 0 -19.494479 14.714226 4.244940 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=14) 0 -20.475261 12.818002 4.265094 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=14) 0 -19.808204 12.414253 5.021943 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=14) 0 -21.844955 12.171113 4.445840 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=14) 0 -22.519965 12.510337 3.665306 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=14) 0 -21.745192 11.087392 4.377760 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=14) 0 -22.255420 12.412837 5.425119 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=14) 0 -19.925319 12.444358 2.887412 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=14) 0 -18.899611 12.799847 2.790381 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=14) 0 -19.934363 11.364579 2.761702 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=14) 0 -20.531706 12.893436 2.104652 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=14) 0 -20.711587 14.329796 7.007349 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=14) 0 -21.578517 14.209857 7.875428 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=15) 0 -19.447856 13.961498 7.222165 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=15) 0 -18.789120 14.128060 6.468717 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=15) 0 -18.888520 13.480703 8.505205 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=15) 0 -19.413038 13.976179 9.322929 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=15) 0 -19.103602 11.956332 8.649510 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=15) 0 -20.157474 11.752662 8.462691 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=15) 0 -18.285092 11.120281 7.659352 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=15) 0 -17.220922 11.269330 7.831840 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=15) 0 -18.511769 10.062374 7.793585 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=15) 0 -18.529045 11.399041 6.637275 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=15) 0 -18.801203 11.466369 10.066319 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=15) 0 -19.409106 12.018374 10.778568 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=15) 0 -19.047954 10.407900 10.146976 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=15) 0 -17.748258 11.594278 10.310272 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=15) 0 -17.404557 13.859991 8.608706 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=15) 0 -16.745447 13.993131 7.574564 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=16) 0 -16.842828 14.042677 9.810700 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=16) 0 -17.421562 13.946069 10.640307 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=16) 0 -15.396849 14.288792 9.983374 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=16) 0 -15.133893 15.182118 9.418200 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=16) 0 -15.073575 14.537274 11.467085 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=16) 0 -15.779721 15.255138 11.878777 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=16) 0 -15.204247 13.600311 12.008323 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=16) 0 -13.651153 15.081219 11.704874 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=16) 0 -12.940025 14.642365 11.012591 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=16) 0 -13.646577 16.162410 11.561590 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=16) 0 -13.180942 14.738882 13.117572 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=16) 0 -13.835657 15.231757 13.832946 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=16) 0 -13.264074 13.661790 13.269701 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=16) 0 -11.793617 15.161142 13.367576 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=16) 0 -11.664287 15.944471 13.997265 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=16) 0 -10.699603 14.484499 13.075475 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=16) 0 -10.689948 13.382190 12.389019 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=16) 0 -11.554150 12.940695 12.093689 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=16) 0 -9.829103 12.859729 12.343973 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=16) 0 -9.538143 14.888824 13.487098 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=16) 0 -9.465375 15.641146 14.158061 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=16) 0 -8.762396 14.253534 13.355897 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=16) 0 -14.562029 13.112767 9.455453 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=16) 0 -14.927114 11.955360 9.662850 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=17) 0 -13.399549 13.413022 8.874252 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=17) 0 -13.191366 14.391128 8.714506 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=17) 0 -12.342569 12.447528 8.573433 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=17) 0 -12.704679 11.798315 7.780906 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=17) 0 -11.125784 13.219549 8.052338 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=17) 0 -10.729121 13.868929 8.834275 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=17) 0 -10.345624 12.526810 7.733678 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=17) 0 -11.419739 13.826947 7.197544 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=17) 0 -11.977874 11.535012 9.764023 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=17) 0 -12.387289 11.773054 10.900589 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=18) 0 -11.239199 10.460327 9.481091 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=18) 0 -10.903525 10.390123 8.530166 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=18) 0 -11.198432 9.197089 10.240176 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=18) 0 -10.466275 8.576557 9.724288 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=18) 0 -10.647144 9.372769 11.665128 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=18) 0 -9.688060 9.888642 11.615483 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=18) 0 -11.328417 9.977254 12.261869 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=18) 0 -10.458748 8.020640 12.355756 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=18) 0 -9.504960 7.294432 11.994980 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=18) 0 -11.271200 7.683765 13.255440 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=18) 0 -12.510618 8.388455 10.190473 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=18) 0 -12.452749 7.160127 10.220890 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=19) 0 -13.674490 9.017076 9.995036 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=19) 0 -13.687985 10.028362 10.005821 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=19) 0 -14.843507 8.343759 9.432918 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=19) 0 -14.760879 7.271892 9.596063 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=19) 0 -16.119530 8.769417 10.163394 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=19) 0 -16.301552 9.829848 10.011237 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=19) 0 -16.968337 8.211675 9.765702 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=19) 0 -16.027016 8.563284 11.228317 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=19) 0 -14.915440 8.624825 7.918882 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=19) 0 -15.195554 9.756712 7.518241 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=20) 0 -14.675162 7.626685 7.055535 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=20) 0 -14.091444 6.332979 7.369544 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=20) 0 -14.736798 5.760072 8.036192 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=20) 0 -13.110121 6.470787 7.820085 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=20) 0 -13.952687 5.604290 6.037544 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=20) 0 -14.740873 4.857115 5.943871 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=20) 0 -12.967605 5.156315 5.962141 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=20) 0 -14.146553 6.684755 4.978710 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=20) 0 -14.521642 6.277337 4.039556 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=20) 0 -13.198518 7.193096 4.809545 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=20) 0 -15.123998 7.641296 5.668612 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=20) 0 -15.055443 8.633843 5.222704 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=20) 0 -16.586676 7.160716 5.648653 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=20) 0 -17.275411 7.180175 6.675817 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=21) 0 -17.074427 6.643770 4.520754 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=21) 0 -16.496842 6.614873 3.695731 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=21) 0 -18.250583 5.778031 4.592374 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=21) 0 -18.883849 6.213160 5.352106 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=21) 0 -19.054176 5.793765 3.286334 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=21) 0 -19.128312 6.821206 2.930808 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=21) 0 -18.538955 5.207058 2.525142 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=21) 0 -20.477409 5.253253 3.489525 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=21) 0 -21.046601 5.453697 2.581012 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=21) 0 -20.425951 4.172445 3.636824 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=21) 0 -21.176176 5.903973 4.694104 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=21) 0 -21.675927 7.048007 4.579214 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=21) 0 -21.053402 5.365891 5.822332 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=21) 0 -17.859712 4.374390 5.083354 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=21) 0 -16.890678 3.805555 4.588660 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=22) 0 -18.567164 3.822479 6.075136 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=22) 0 -19.421948 4.283394 6.371955 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=22) 0 -18.224669 2.546733 6.728559 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=22) 0 -17.869970 1.869216 5.957112 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=22) 0 -17.066858 2.710555 7.738416 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=22) 0 -16.917936 1.751966 8.237948 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=22) 0 -16.148590 2.938296 7.198431 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=22) 0 -17.268010 3.800130 8.799832 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=22) 0 -17.045352 4.776879 8.365852 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=22) 0 -18.307414 3.807450 9.121167 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=22) 0 -16.374029 3.552115 10.018759 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=22) 0 -15.152890 3.825449 9.966943 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=22) 0 -16.891189 3.073334 11.062545 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=22) 0 -19.427521 1.846608 7.393941 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=22) 0 -20.338695 2.493935 7.917643 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=23) 0 -19.408086 0.511843 7.385730 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=23) 0 -18.599678 0.059371 6.961771 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=23) 0 -20.383616 -0.406983 7.994651 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=23) 0 -20.954673 0.100582 8.773400 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=23) 0 -21.339676 -0.966798 6.925222 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=23) 0 -20.731078 -1.430409 6.150013 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=23) 0 -21.951326 -1.746812 7.380560 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=23) 0 -22.280192 0.060515 6.272021 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=23) 0 -23.003185 0.393179 7.017308 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=23) 0 -21.702425 0.927473 5.951714 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=23) 0 -23.024212 -0.494368 5.043119 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=23) 0 -22.867447 -1.697589 4.698286 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=23) 0 -23.757755 0.285163 4.388752 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=23) 0 -19.609647 -1.585151 8.611541 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=23) 0 -18.698021 -2.104795 7.972009 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=24) 0 -19.932616 -2.018506 9.836018 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=24) 0 -20.717979 -1.592590 10.304559 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=24) 0 -19.086646 -2.940205 10.630286 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=24) 0 -19.504374 -2.967772 11.637752 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=24) 0 -19.140628 -4.382832 10.089721 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=24) 0 -18.704713 -4.426748 9.091031 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=24) 0 -18.534633 -5.010800 10.740762 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=24) 0 -20.538238 -4.984061 10.063888 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=24) 0 -21.001504 -5.404397 8.974239 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=24) 0 -21.144715 -5.133147 11.144706 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=24) 0 -17.625716 -2.451882 10.794306 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=24) 0 -16.697904 -3.251192 10.934986 L N-N--0.415700(PDBName=N,ResName=HID,ResNum=25) 0 -17.399116 -1.136409 10.723119 L H-H-0.271900(PDBName=H,ResName=HID,ResNum=25) 0 -18.209381 -0.526414 10.664502 L C-CT-0.018800(PDBName=CA,ResName=HID,ResNum=25) 0 -16.092390 -0.480184 10.569177 L H-H1-0.088100(PDBName=HA,ResName=HID,ResNum=25) 0 -16.311083 0.576571 10.429110 L C-CT--0.046200(PDBName=CB,ResName=HID,ResNum=25) 0 -15.275810 -0.574993 11.865301 L H-HC-0.040200(PDBName=HB2,ResName=HID,ResNum=25) 0 -14.970800 -1.608714 12.032106 L H-HC-0.040200(PDBName=HB3,ResName=HID,ResNum=25) 0 -14.373050 0.027262 11.764847 L C-CC--0.026600(PDBName=CG,ResName=HID,ResNum=25) 0 -16.040782 -0.080666 13.063586 L N-NA--0.381100(PDBName=ND1,ResName=HID,ResNum=25) 0 -16.662692 1.141052 13.182171 L H-H-0.364900(PDBName=HD1,ResName=HID,ResNum=25) 0 -16.718948 1.857678 12.460499 L C-CR-0.205700(PDBName=CE1,ResName=HID,ResNum=25) 0 -17.265038 1.190046 14.380555 L H-H5-0.139200(PDBName=HE1,ResName=HID,ResNum=25) 0 -17.848645 2.025617 14.749956 L N-NB--0.572700(PDBName=NE2,ResName=HID,ResNum=25) 0 -17.042465 0.050142 15.057327 L C-CV-0.129200(PDBName=CD2,ResName=HID,ResNum=25) 0 -16.284029 -0.773653 14.216199 L H-H4-0.114700(PDBName=HD2,ResName=HID,ResNum=25) 0 -15.953297 -1.781282 14.432846 L C-C-0.597300(PDBName=C,ResName=HID,ResNum=25) 0 -15.300395 -0.865443 9.306882 L O-O--0.567900(PDBName=O,ResName=HID,ResNum=25) 0 -14.168211 -0.404103 9.135117 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=26) 0 -15.898880 -1.637148 8.395941 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=26) 0 -16.847737 -1.946199 8.583716 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=26) 0 -15.389089 -1.889761 7.048075 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=26) 0 -14.304995 -1.953521 7.101568 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=26) 0 -15.925765 -3.216365 6.470046 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=26) 0 -16.984559 -3.114213 6.233692 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=26) 0 -15.175105 -3.554318 5.182114 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=26) 0 -14.108204 -3.635125 5.384903 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=26) 0 -15.540243 -4.500757 4.784735 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=26) 0 -15.340989 -2.773218 4.446048 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=26) 0 -15.760340 -4.416809 7.409632 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=26) 0 -16.184910 -5.307633 6.946117 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=26) 0 -14.706206 -4.590111 7.614228 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=26) 0 -16.289077 -4.238513 8.345170 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=26) 0 -15.794373 -0.714008 6.156827 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=26) 0 -16.979022 -0.394341 6.049188 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=27) 0 -14.833239 -0.048969 5.515182 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=27) 0 -13.876550 -0.364855 5.631233 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=27) 0 -15.096134 1.153081 4.720453 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=27) 0 -15.684805 1.826054 5.337248 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=27) 0 -13.806338 1.902724 4.327557 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=27) 0 -13.452805 1.500278 3.381819 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=27) 0 -14.095965 2.937981 4.145703 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=27) 0 -12.596846 1.898860 5.279476 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=27) 0 -12.144069 0.914436 5.269768 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=27) 0 -11.543477 2.854028 4.722669 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=27) 0 -11.939820 3.860145 4.632328 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=27) 0 -10.670106 2.864318 5.374238 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=27) 0 -11.246488 2.515060 3.731499 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=27) 0 -12.922552 2.248839 6.729989 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=27) 0 -13.367737 1.385993 7.221548 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=27) 0 -12.012172 2.519999 7.261476 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=27) 0 -13.626971 3.070721 6.781453 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=27) 0 -15.919874 0.790691 3.473968 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=27) 0 -15.462731 0.005686 2.647353 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=28) 0 -17.119887 1.341348 3.304609 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=28) 0 -17.386364 2.088976 3.935277 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=28) 0 -18.016645 0.997563 2.186456 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=28) 0 -17.752365 0.001101 1.833214 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=28) 0 -19.496101 0.925478 2.595410 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=28) 0 -19.907263 1.925257 2.722796 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=28) 0 -20.299792 0.168431 1.529991 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=28) 0 -21.353946 0.146754 1.807529 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=28) 0 -20.216596 0.673344 0.567501 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=28) 0 -19.930646 -0.850997 1.425669 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=28) 0 -19.648428 0.189743 3.922034 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=28) 0 -19.509990 0.901995 4.728320 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=28) 0 -20.643264 -0.233290 3.997809 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=28) 0 -18.899819 -0.593890 4.011691 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=28) 0 -17.760011 1.960543 1.041021 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=28) 0 -18.468239 2.953663 0.860605 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=29) 0 -16.666378 1.702647 0.327164 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=29) 0 -16.156762 0.854309 0.538716 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=29) 0 -16.101967 2.644604 -0.632217 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=29) 0 -16.240231 3.645346 -0.221843 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=29) 0 -14.587193 2.428630 -0.789503 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=29) 0 -14.410987 1.439293 -1.213315 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=29) 0 -14.205063 3.174194 -1.488957 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=29) 0 -13.811175 2.552175 0.536374 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=29) 0 -14.103441 1.733497 1.186884 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=29) 0 -12.309631 2.433474 0.286116 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=29) 0 -11.968809 3.259849 -0.335729 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=29) 0 -11.772324 2.456648 1.233276 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=29) 0 -12.091585 1.490916 -0.214193 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=29) 0 -14.081297 3.866690 1.271507 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=29) 0 -15.100891 3.881885 1.655129 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=29) 0 -13.408196 3.962241 2.120510 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=29) 0 -13.935311 4.708141 0.593171 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=29) 0 -16.867214 2.645688 -1.955222 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=29) 0 -17.444906 1.640890 -2.375550 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=30) 0 -16.890005 3.823307 -2.571224 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=30) 0 -16.302561 4.550399 -2.171331 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=30) 0 -17.737288 4.229096 -3.691869 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=30) 0 -18.368547 3.397399 -3.997619 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=30) 0 -18.607075 5.424063 -3.238284 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=30) 0 -18.065948 6.004301 -2.490107 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=30) 0 -18.755964 6.081443 -4.090685 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=30) 0 -20.009092 5.116326 -2.695933 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=30) 0 -20.426246 6.035991 -2.283312 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=30) 0 -20.649958 4.824740 -3.519942 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=30) 0 -20.077173 4.028514 -1.628660 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=30) 0 -19.552134 3.137462 -1.970351 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=30) 0 -19.601896 4.410514 -0.726068 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=30) 0 -21.477456 3.663695 -1.376522 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=30) 0 -22.117228 3.701178 -2.162344 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=30) 0 -22.032297 3.318536 -0.236726 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=30) 0 -21.366997 3.241656 0.871969 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=30) 0 -20.363590 3.357614 0.868595 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=30) 0 -21.910906 3.236036 1.732247 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=30) 0 -23.298321 3.047087 -0.197251 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=30) 0 -23.839865 3.128682 -1.046089 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=30) 0 -23.685649 2.648727 0.652811 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=30) 0 -16.887023 4.625975 -4.895126 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=30) 0 -15.747942 5.064218 -4.729064 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=31) 0 -17.471425 4.604018 -6.097751 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=31) 0 -18.423657 4.240339 -6.143568 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=31) 0 -16.857379 5.202540 -7.305755 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=31) 0 -15.873998 4.745806 -7.434564 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=31) 0 -17.665079 4.862660 -8.576782 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=31) 0 -17.196769 5.347859 -9.433677 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=31) 0 -17.613592 3.784099 -8.733305 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=31) 0 -19.143035 5.274302 -8.511135 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=31) 0 -19.599676 4.741948 -7.686816 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=31) 0 -19.222318 6.344684 -8.327061 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=31) 0 -19.956316 4.906918 -9.754895 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=31) 0 -19.678595 3.907889 -10.089813 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=31) 0 -21.010200 4.881602 -9.474604 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=31) 0 -19.776590 5.919293 -10.888805 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=31) 0 -20.065637 6.910795 -10.527230 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=31) 0 -18.724253 5.945814 -11.185494 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=31) 0 -20.619395 5.547606 -12.044619 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=31) 0 -21.603242 5.478729 -11.791840 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=31) 0 -20.539411 6.208527 -12.814749 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=31) 0 -20.343492 4.636397 -12.407086 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=31) 0 -16.551262 6.706412 -7.159897 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=31) 0 -15.764838 7.237999 -7.937789 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=32) 0 -17.064867 7.379187 -6.124859 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=32) 0 -17.752647 6.919878 -5.548505 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=32) 0 -16.575011 8.683790 -5.660857 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=32) 0 -16.419548 9.326715 -6.528212 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=32) 0 -17.616214 9.369645 -4.765777 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=32) 0 -17.169291 10.254370 -4.311069 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=32) 0 -18.469333 9.682200 -5.361935 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=32) 0 -18.065037 8.510224 -3.740539 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=32) 0 -18.404597 9.083156 -3.014026 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=32) 0 -15.242995 8.615070 -4.896961 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=32) 0 -14.283684 9.267298 -5.309573 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=33) 0 -15.195060 7.881629 -3.778313 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=33) 0 -15.987268 7.273575 -3.619895 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=33) 0 -14.435784 8.260238 -2.574217 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=33) 0 -14.040839 9.262519 -2.738058 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=33) 0 -15.420811 8.347626 -1.386650 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=33) 0 -14.939574 8.890224 -0.577987 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=33) 0 -16.295616 8.920220 -1.682656 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=33) 0 -15.880045 7.004263 -0.830003 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=33) 0 -15.543051 5.934919 -1.308836 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=33) 0 -16.685154 6.995047 0.203393 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=33) 0 -16.983300 6.103019 0.549002 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=33) 0 -17.009205 7.864830 0.616753 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=33) 0 -13.208716 7.390252 -2.235121 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=33) 0 -12.708071 7.452164 -1.106237 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=34) 0 -12.757602 6.545652 -3.163873 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=34) 0 -13.245243 6.513375 -4.047682 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=34) 0 -11.761395 5.513819 -2.875556 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=34) 0 -12.091146 4.968272 -1.990885 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=34) 0 -11.709963 4.525282 -4.036259 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=34) 0 -12.701574 4.089361 -4.155005 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=34) 0 -11.459401 5.049922 -4.959397 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=34) 0 -10.706439 3.418750 -3.797186 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=34) 0 -11.049390 2.344978 -2.958934 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=34) 0 -12.033175 2.299734 -2.520895 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=34) 0 -10.115316 1.333506 -2.690387 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=34) 0 -10.380850 0.521564 -2.033346 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=34) 0 -8.841800 1.382096 -3.282008 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=34) 0 -8.120219 0.603682 -3.090751 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=34) 0 -8.503345 2.443146 -4.136176 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=34) 0 -7.534971 2.457664 -4.614571 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=34) 0 -9.428494 3.471495 -4.382825 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=34) 0 -9.161397 4.288724 -5.038741 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=34) 0 -10.366212 6.063335 -2.552766 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=34) 0 -9.833648 5.780581 -1.478648 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=35) 0 -9.777903 6.879523 -3.432130 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=35) 0 -10.222835 7.061945 -4.321718 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=35) 0 -8.466134 7.471131 -3.163528 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=35) 0 -7.765896 6.666172 -2.935290 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=35) 0 -7.971380 8.175501 -4.422570 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=35) 0 -8.614854 9.024658 -4.644666 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=35) 0 -6.953151 8.527955 -4.257045 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=35) 0 -7.971462 7.483366 -5.263891 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=35) 0 -8.493027 8.413995 -1.944247 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=35) 0 -7.522648 8.477841 -1.199537 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=36) 0 -9.629188 9.054192 -1.658335 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=36) 0 -10.378336 9.011590 -2.339845 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=36) 0 -9.875864 9.821370 -0.431264 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=36) 0 -9.095233 10.574246 -0.316220 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=36) 0 -11.219176 10.538497 -0.617919 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=36) 0 -11.107273 11.276855 -1.412192 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=36) 0 -11.953082 9.807516 -0.947421 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=36) 0 -11.803470 11.248793 0.602568 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=36) 0 -11.754976 10.613281 1.482994 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=36) 0 -11.237445 12.156138 0.808466 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=36) 0 -13.265546 11.572423 0.311193 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=36) 0 -13.533666 12.444588 -0.547154 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=36) 0 -14.166801 10.931296 0.905116 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=36) 0 -9.874768 8.938021 0.832597 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=36) 0 -9.494024 9.404554 1.910330 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=37) 0 -10.268642 7.665353 0.735445 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=37) 0 -10.587719 7.320658 -0.163681 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=37) 0 -10.148452 6.707733 1.833916 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=37) 0 -10.459108 7.183921 2.760917 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=37) 0 -11.088943 5.530804 1.593410 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=37) 0 -12.100812 5.906255 1.448328 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=37) 0 -10.776907 4.971649 0.714039 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=37) 0 -11.069654 4.868785 2.458375 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=37) 0 -8.696195 6.265457 2.030575 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=37) 0 -8.221095 6.260129 3.165832 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=38) 0 -7.959910 6.005150 0.943086 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=38) 0 -8.418426 6.021958 0.036967 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=38) 0 -6.512710 5.775995 1.008165 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=38) 0 -6.320873 4.929631 1.668416 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=38) 0 -5.951570 5.451356 -0.391322 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=38) 0 -6.081806 6.323524 -1.030543 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=38) 0 -4.882774 5.279930 -0.269597 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=38) 0 -6.511499 4.242872 -1.155374 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=38) 0 -7.530343 4.451310 -1.476359 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=38) 0 -5.637816 4.020606 -2.390819 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=38) 0 -4.609691 3.803544 -2.098378 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=38) 0 -6.023998 3.183232 -2.967840 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=38) 0 -5.645500 4.916848 -3.009751 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=38) 0 -6.507939 2.969738 -0.318929 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=38) 0 -7.220852 3.078808 0.489049 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=38) 0 -6.816241 2.126105 -0.936289 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=38) 0 -5.513767 2.793073 0.091525 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=38) 0 -5.778457 6.994915 1.606798 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=38) 0 -4.896589 6.845664 2.452278 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=39) 0 -6.162957 8.209219 1.216122 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=39) 0 -6.837712 8.275107 0.461206 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=39) 0 -5.557936 9.453403 1.683546 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=39) 0 -4.476279 9.328993 1.651889 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=39) 0 -5.926544 10.564886 0.698653 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=39) 0 -7.001618 10.732908 0.703545 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=39) 0 -5.414848 11.488584 0.972198 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=39) 0 -5.617565 10.276819 -0.305958 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=39) 0 -5.924806 9.816043 3.135492 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=39) 0 -5.303756 10.707264 3.715594 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=40) 0 -6.892066 9.125117 3.747463 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=40) 0 -7.404800 8.447833 3.200152 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=40) 0 -7.216041 9.236642 5.172123 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=40) 0 -6.782094 10.151900 5.579358 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=40) 0 -8.734253 9.354611 5.306909 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=40) 0 -9.214202 8.451091 4.929630 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=40) 0 -8.989917 9.488488 6.358413 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=40) 0 -9.089186 10.219728 4.746324 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=40) 0 -6.663151 8.063924 6.006270 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=40) 0 -6.291360 8.261908 7.162259 L N-N--0.415700(PDBName=N,ResName=HID,ResNum=41) 0 -6.565415 6.863098 5.425701 L H-H-0.271900(PDBName=H,ResName=HID,ResNum=41) 0 -6.914476 6.762644 4.478960 L C-CT-0.018800(PDBName=CA,ResName=HID,ResNum=41) 0 -6.151016 5.628926 6.097971 L H-H1-0.088100(PDBName=HA,ResName=HID,ResNum=41) 0 -5.848592 5.853506 7.119233 L C-CT--0.046200(PDBName=CB,ResName=HID,ResNum=41) 0 -7.346570 4.672670 6.172634 L H-HC-0.040200(PDBName=HB2,ResName=HID,ResNum=41) 0 -7.644957 4.390789 5.163404 L H-HC-0.040200(PDBName=HB3,ResName=HID,ResNum=41) 0 -7.040980 3.768100 6.698881 L C-CC--0.026600(PDBName=CG,ResName=HID,ResNum=41) 0 -8.534035 5.273857 6.878886 L N-NA--0.381100(PDBName=ND1,ResName=HID,ResNum=41) 0 -8.618321 5.571796 8.218562 L H-H-0.364900(PDBName=HD1,ResName=HID,ResNum=41) 0 -7.882960 5.440856 8.913717 L C-CR-0.205700(PDBName=CE1,ResName=HID,ResNum=41) 0 -9.827893 6.098483 8.454352 L H-H5-0.139200(PDBName=HE1,ResName=HID,ResNum=41) 0 -10.180711 6.407078 9.430643 L N-NB--0.572700(PDBName=NE2,ResName=HID,ResNum=41) 0 -10.533488 6.185240 7.311719 L C-CV-0.129200(PDBName=CD2,ResName=HID,ResNum=41) 0 -9.713834 5.660269 6.304662 L H-H4-0.114700(PDBName=HD2,ResName=HID,ResNum=41) 0 -9.959439 5.580155 5.254659 L C-C-0.597300(PDBName=C,ResName=HID,ResNum=41) 0 -4.953391 5.002566 5.375266 L O-O--0.567900(PDBName=O,ResName=HID,ResNum=41) 0 -5.096567 4.361629 4.331039 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=42) 0 -3.750443 5.213385 5.923450 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=42) 0 -3.725741 5.689522 6.822211 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=42) 0 -2.471433 5.019726 5.210233 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=42) 0 -2.555064 5.498760 4.234036 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=42) 0 -1.335551 5.725687 5.974325 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=42) 0 -1.509930 5.666052 7.049872 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=42) 0 -0.391882 5.215150 5.770384 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=42) 0 -1.153026 7.193837 5.551506 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=42) 0 -0.342972 7.614902 6.148772 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=42) 0 -0.842573 7.211694 4.506223 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=42) 0 -2.393718 8.089344 5.699904 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=42) 0 -3.177773 7.761265 5.015846 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=42) 0 -2.756916 8.049702 6.727251 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=42) 0 -1.994099 9.523636 5.354637 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=42) 0 -1.202830 9.838401 6.041020 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=42) 0 -1.579204 9.544307 4.344289 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=42) 0 -3.130054 10.465394 5.449241 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=42) 0 -3.554039 10.441589 6.371587 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=42) 0 -2.816179 11.421928 5.325690 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=42) 0 -3.838493 10.309841 4.739476 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=42) 0 -2.120112 3.566491 4.869326 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=42) 0 -1.258507 3.362946 4.017904 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=43) 0 -2.823703 2.588901 5.445090 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=43) 0 -3.525867 2.858287 6.115523 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=43) 0 -2.781684 1.174144 5.057925 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=43) 0 -2.281485 1.074698 4.092813 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=43) 0 -2.007913 0.351227 6.101241 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=43) 0 -2.618797 0.268860 6.997417 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=43) 0 -1.861097 -0.650607 5.705247 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=43) 0 -0.669455 0.938015 6.495259 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=43) 0 0.277684 1.225280 5.498039 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=43) 0 0.088974 0.952680 4.469311 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=43) 0 1.407668 1.994169 5.812965 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=43) 0 2.084088 2.288622 5.029621 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=43) 0 1.622199 2.436530 7.134107 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=43) 0 2.660097 3.264136 7.406015 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=43) 0 3.032615 3.586628 6.561515 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=43) 0 0.728828 2.055263 8.154232 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=43) 0 0.897270 2.386791 9.169984 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=43) 0 -0.425192 1.319070 7.830246 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=43) 0 -1.146108 1.104016 8.607842 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=43) 0 -4.207521 0.637850 4.919959 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=43) 0 -5.008100 0.783426 5.848988 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=44) 0 -4.528952 0.011061 3.785292 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=44) 0 -3.837596 -0.061823 3.041204 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=44) 0 -5.891888 -0.433802 3.490479 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=44) 0 -6.400852 -0.592433 4.438118 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=44) 0 -6.629176 0.684432 2.714820 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=44) 0 -5.932564 1.495671 2.494879 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=44) 0 -6.996828 0.308398 1.758491 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=44) 0 -7.803840 1.250358 3.528176 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=44) 0 -7.473038 1.426665 4.549958 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=44) 0 -8.290786 2.580481 2.958794 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=44) 0 -7.448210 3.265985 2.868976 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=44) 0 -8.756728 2.431609 1.985549 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=44) 0 -9.007014 3.031265 3.638592 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=44) 0 -8.983773 0.274787 3.531636 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=44) 0 -8.672070 -0.699801 3.896624 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=44) 0 -9.772515 0.651314 4.178849 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=44) 0 -9.362082 0.155566 2.517469 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=44) 0 -5.927955 -1.773039 2.749362 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=44) 0 -5.304453 -1.920610 1.700944 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=45) 0 -6.702322 -2.732223 3.265832 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=45) 0 -7.161500 -2.548830 4.152374 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=45) 0 -7.044281 -3.968068 2.553245 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=45) 0 -6.383594 -4.062088 1.693810 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=45) 0 -6.825457 -5.190364 3.465468 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=45) 0 -6.014314 -4.990284 4.162907 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=45) 0 -7.731013 -5.346449 4.046960 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=45) 0 -6.504629 -6.479566 2.686344 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=45) 0 -7.158420 -6.556029 1.819614 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=45) 0 -5.054365 -6.490415 2.214457 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=45) 0 -4.372035 -6.479991 3.062299 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=45) 0 -4.872972 -7.386041 1.628911 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=45) 0 -4.870419 -5.626758 1.587698 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=45) 0 -6.698543 -7.713885 3.561313 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=45) 0 -6.565882 -8.611205 2.958237 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=45) 0 -5.970465 -7.714546 4.371453 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=45) 0 -7.709276 -7.723785 3.967807 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=45) 0 -8.481835 -3.885077 2.023472 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=45) 0 -9.410822 -3.599676 2.775462 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=46) 0 -8.701811 -4.174939 0.745835 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=46) 0 -7.908069 -4.485193 0.195374 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=46) 0 -9.944778 -3.887317 0.017160 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=46) 0 -10.665987 -3.440658 0.699523 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=46) 0 -9.692019 -2.861839 -1.106949 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=46) 0 -9.104809 -3.330616 -1.897152 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=46) 0 -11.022683 -2.375947 -1.695860 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=46) 0 -11.616906 -1.871704 -0.935139 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=46) 0 -10.831961 -1.691246 -2.520901 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=46) 0 -11.592924 -3.218356 -2.089578 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=46) 0 -8.913097 -1.630038 -0.616850 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=46) 0 -7.938026 -1.920823 -0.227531 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=46) 0 -8.739000 -0.956357 -1.451962 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=46) 0 -9.465055 -1.108725 0.162039 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=46) 0 -10.556045 -5.170455 -0.545709 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=46) 0 -9.976681 -5.812193 -1.416282 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=47) 0 -11.735406 -5.516231 -0.046825 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=47) 0 -12.130728 -4.920060 0.672110 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=47) 0 -12.639953 -6.559926 -0.527261 L H-HC 1 0.0000 H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=47) 0 -12.066073 -7.410617 -0.896807 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=47) 0 -13.504287 -6.012610 -1.675026 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=47) 0 -14.058556 -4.919890 -1.576259 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=48) 0 -13.647943 -6.772045 -2.758920 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=48) 0 -13.100413 -7.625105 -2.812388 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=48) 0 -14.532549 -6.483697 -3.891354 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=48) 0 -15.158763 -5.622638 -3.666344 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=48) 0 -13.706229 -6.175997 -5.148939 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=48) 0 -13.195398 -7.085697 -5.446754 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=48) 0 -14.396064 -5.924403 -5.955470 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=48) 0 -12.657297 -5.081552 -5.042329 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=48) 0 -12.920664 -3.802483 -5.560432 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=48) 0 -13.893316 -3.587833 -5.969339 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=48) 0 -11.924138 -2.810018 -5.561732 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=48) 0 -12.131564 -1.833262 -5.976610 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=48) 0 -10.653714 -3.093813 -5.032943 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=48) 0 -9.884215 -2.333569 -5.033550 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=48) 0 -10.392044 -4.365056 -4.492915 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=48) 0 -9.427770 -4.584971 -4.064901 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=48) 0 -11.387949 -5.356186 -4.499535 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=48) 0 -11.172643 -6.328949 -4.083632 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=48) 0 -15.430756 -7.704702 -4.122028 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=48) 0 -14.919175 -8.807292 -4.338274 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=49) 0 -16.754849 -7.554451 -4.022646 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=49) 0 -17.146234 -6.624228 -3.889444 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=49) 0 -17.655515 -8.708308 -3.890629 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=49) 0 -17.236788 -9.540174 -4.458551 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=49) 0 -17.705577 -9.127893 -2.411884 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=49) 0 -17.985116 -10.175509 -2.382789 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=49) 0 -16.704589 -9.067656 -1.981704 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=49) 0 -18.669766 -8.358669 -1.521320 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=49) 0 -19.844791 -8.986112 -1.057813 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=49) 0 -20.089609 -9.989783 -1.375167 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=49) 0 -20.732542 -8.292766 -0.214107 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=49) 0 -21.637381 -8.765748 0.132135 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=49) 0 -20.469446 -6.952748 0.140388 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=49) 0 -21.337178 -6.280251 0.943099 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=49) 0 -21.107609 -5.331328 0.973871 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=49) 0 -19.309610 -6.313558 -0.347592 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=49) 0 -19.124627 -5.277893 -0.106756 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=49) 0 -18.404425 -7.021762 -1.162747 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=49) 0 -17.522250 -6.522884 -1.541002 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=49) 0 -19.071179 -8.470810 -4.430668 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=49) 0 -19.520602 -7.331948 -4.524157 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=50) 0 -19.785209 -9.558178 -4.736853 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=50) 0 -19.363627 -10.467481 -4.614044 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=50) 0 -21.204889 -9.544126 -5.093788 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=50) 0 -21.546795 -8.508483 -5.137066 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=50) 0 -21.365792 -10.138281 -6.497214 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=50) 0 -20.704410 -9.630952 -7.200828 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=50) 0 -21.120452 -11.194045 -6.471007 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=50) 0 -22.390341 -10.033983 -6.850611 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=50) 0 -22.039088 -10.275969 -4.014597 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=50) 0 -21.555801 -11.234734 -3.391341 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=51) 0 -23.291281 -9.851106 -3.762328 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=51) 0 -24.086471 -8.983257 -4.619053 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=51) 0 -24.020863 -9.266227 -5.668362 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=51) 0 -23.762290 -7.951536 -4.488668 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=51) 0 -25.522129 -9.157691 -4.138371 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=51) 0 -25.958284 -10.049282 -4.591097 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=51) 0 -26.136759 -8.286220 -4.350712 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=51) 0 -25.334899 -9.372464 -2.639122 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=51) 0 -26.186858 -9.903554 -2.215646 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=51) 0 -25.206539 -8.405552 -2.149413 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=51) 0 -24.031551 -10.177930 -2.536286 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=51) 0 -23.472163 -9.840477 -1.663462 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=51) 0 -24.317234 -11.675604 -2.376839 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=51) 0 -24.349039 -12.212830 -1.267118 L N-N--0.415700(PDBName=N,ResName=TRP,ResNum=52) 0 -24.493711 -12.388167 -3.486577 L H-H-0.271900(PDBName=H,ResName=TRP,ResNum=52) 0 -24.482561 -11.901888 -4.375306 L C-CT--0.005000(PDBName=CB,ResName=TRP,ResNum=52) 0 -25.810822 -13.991106 -4.737617 L H-HC-0.033900(PDBName=HB2,ResName=TRP,ResNum=52) 0 -26.066608 -15.048046 -4.828201 L H-HC-0.033900(PDBName=HB3,ResName=TRP,ResNum=52) 0 -26.747933 -13.450483 -4.591980 L C-C*--0.141500(PDBName=CG,ResName=TRP,ResNum=52) 0 -25.202817 -13.531184 -6.027057 L C-CW--0.163800(PDBName=CD1,ResName=TRP,ResNum=52) 0 -25.580412 -12.444297 -6.739508 L H-H4-0.206200(PDBName=HD1,ResName=TRP,ResNum=52) 0 -26.410787 -11.787432 -6.499521 L N-NA--0.341800(PDBName=NE1,ResName=TRP,ResNum=52) 0 -24.774269 -12.317304 -7.852929 L H-H-0.341200(PDBName=HE1,ResName=TRP,ResNum=52) 0 -24.931553 -11.618963 -8.578057 L C-CN-0.138000(PDBName=CE2,ResName=TRP,ResNum=52) 0 -23.854277 -13.339752 -7.935133 L C-CA--0.260100(PDBName=CZ2,ResName=TRP,ResNum=52) 0 -22.871415 -13.680101 -8.873592 L H-HA-0.157200(PDBName=HZ2,ResName=TRP,ResNum=52) 0 -22.746716 -13.094945 -9.774864 L C-CA--0.113400(PDBName=CH2,ResName=TRP,ResNum=52) 0 -22.106732 -14.840124 -8.668958 L H-HA-0.141700(PDBName=HH2,ResName=TRP,ResNum=52) 0 -21.372974 -15.140631 -9.400832 L C-CA--0.197200(PDBName=CZ3,ResName=TRP,ResNum=52) 0 -22.314847 -15.629244 -7.527717 L H-HA-0.144700(PDBName=HZ3,ResName=TRP,ResNum=52) 0 -21.713299 -16.515518 -7.373627 L C-CA--0.238700(PDBName=CE3,ResName=TRP,ResNum=52) 0 -23.340223 -15.308146 -6.624019 L H-HA-0.170000(PDBName=HE3,ResName=TRP,ResNum=52) 0 -23.574176 -15.995016 -5.832565 L C-CB-0.124300(PDBName=CD2,ResName=TRP,ResNum=52) 0 -24.116602 -14.142291 -6.786371 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=57) 0 -20.217442 -14.708750 2.276900 L H-H 153 0.0000 H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=57) 0 -20.432056 -13.715536 2.674992 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=57) 0 -21.541794 -15.450789 2.064846 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=57) 0 -21.313607 -16.421140 1.624521 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=57) 0 -21.996167 -15.632223 3.038212 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=57) 0 -22.589975 -14.727543 1.196011 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=57) 0 -23.039101 -13.907636 1.758137 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=57) 0 -22.148143 -14.334397 0.282712 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=57) 0 -23.649809 -15.776218 0.848535 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=57) 0 -23.158190 -16.595328 0.322009 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=57) 0 -24.062103 -16.152840 1.785308 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=57) 0 -24.816664 -15.305211 -0.014264 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=57) 0 -25.466648 -14.660063 0.585751 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=57) 0 -24.444015 -14.717823 -0.855059 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=57) 0 -25.581211 -16.479882 -0.505456 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=57) 0 -25.104196 -16.958990 -1.268045 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=57) 0 -25.692326 -17.174907 0.229884 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=57) 0 -26.500394 -16.193670 -0.837760 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=57) 0 -19.350445 -15.437476 3.324025 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=57) 0 -19.677329 -15.377215 4.515957 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=58) 0 -18.254586 -16.101048 2.921522 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=58) 0 -18.088164 -16.217223 1.927893 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=58) 0 -17.212279 -16.577831 3.831724 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=58) 0 -17.677540 -17.007281 4.716518 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=58) 0 -16.414140 -17.703307 3.160240 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=58) 0 -17.090277 -18.481791 2.806316 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=58) 0 -15.834202 -17.322584 2.321748 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=58) 0 -15.726855 -18.142205 3.885658 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=58) 0 -16.315791 -15.411612 4.286148 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=58) 0 -16.063910 -15.263815 5.479837 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=59) 0 -15.917367 -14.540026 3.349853 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=59) 0 -16.135146 -14.754761 2.382796 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=59) 0 -15.048906 -13.388161 3.618073 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=59) 0 -14.193129 -13.736740 4.200536 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=59) 0 -14.547337 -12.845933 2.265913 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=59) 0 -15.407840 -12.478388 1.706544 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=59) 0 -14.110170 -13.661922 1.692199 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=59) 0 -13.513115 -11.707013 2.376480 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=59) 0 -13.913743 -10.896751 2.983389 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=59) 0 -12.185805 -12.179985 2.967955 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=59) 0 -11.793455 -13.012194 2.390005 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=59) 0 -12.320414 -12.484262 4.007116 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=59) 0 -11.456951 -11.371178 2.942170 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=59) 0 -13.225789 -11.157054 0.983515 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=59) 0 -12.724328 -11.911894 0.380796 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=59) 0 -14.157936 -10.872302 0.501485 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=59) 0 -12.586824 -10.277402 1.067323 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=59) 0 -15.726094 -12.270950 4.433049 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=59) 0 -15.106786 -11.719039 5.334282 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=60) 0 -16.975030 -11.903988 4.128174 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=60) 0 -17.432410 -12.373869 3.358917 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=60) 0 -17.552055 -10.642462 4.614706 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=60) 0 -16.878569 -9.849633 4.287886 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=60) 0 -18.893154 -10.382094 3.912990 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=60) 0 -19.291767 -9.421818 4.244688 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=60) 0 -18.739027 -10.334701 2.835264 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=60) 0 -19.616584 -11.162513 4.138967 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=60) 0 -17.626818 -10.489764 6.156833 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=60) 0 -17.223438 -9.425423 6.642272 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=61) 0 -18.044614 -11.507583 6.945736 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=61) 0 -18.678216 -12.753466 6.539930 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=61) 0 -17.921107 -13.534150 6.451326 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=61) 0 -19.231509 -12.661796 5.608825 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=61) 0 -19.635993 -13.089355 7.677368 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=61) 0 -19.870395 -14.153347 7.711943 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=61) 0 -20.544892 -12.492540 7.583767 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=61) 0 -18.846308 -12.640136 8.904425 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=61) 0 -18.169363 -13.442438 9.205514 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=61) 0 -19.507123 -12.375475 9.731040 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=61) 0 -18.047000 -11.424130 8.413705 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=61) 0 -18.565188 -10.512936 8.716723 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=61) 0 -16.637202 -11.426944 9.024339 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=61) 0 -16.431670 -10.912439 10.124837 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=62) 0 -15.658629 -11.978374 8.302838 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=62) 0 -15.882835 -12.360938 7.394880 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=62) 0 -14.249303 -12.013946 8.701857 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=62) 0 -14.192742 -12.138755 9.779173 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=62) 0 -13.551233 -13.204402 8.032947 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=62) 0 -13.747766 -13.199410 6.961547 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=62) 0 -12.475689 -13.109020 8.178662 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=62) 0 -14.026381 -14.537374 8.627009 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=62) 0 -15.102849 -14.638084 8.472572 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=62) 0 -13.538696 -15.354300 8.092075 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=62) 0 -13.706748 -14.648806 10.123070 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=62) 0 -14.348870 -15.458315 10.829693 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=62) 0 -12.799259 -13.946683 10.615537 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=62) 0 -13.528342 -10.704562 8.391100 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=62) 0 -12.748779 -10.220312 9.206307 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=63) 0 -13.890726 -10.048634 7.289232 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=63) 0 -14.484054 -10.531854 6.623748 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=63) 0 -13.546836 -8.652121 7.035217 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=63) 0 -12.459602 -8.560500 7.048346 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=63) 0 -14.067106 -8.247814 5.647148 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=63) 0 -14.604414 -9.072207 5.177120 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=63) 0 -14.773283 -7.422326 5.745123 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=63) 0 -12.943055 -7.835187 4.730909 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=63) 0 -12.021923 -8.797197 4.278047 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=63) 0 -12.146213 -9.830883 4.567665 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=63) 0 -10.927367 -8.405190 3.484998 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=63) 0 -10.202128 -9.126953 3.139950 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=63) 0 -10.763694 -7.045157 3.157299 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=63) 0 -9.726527 -6.641790 2.395621 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=63) 0 -9.762480 -5.690838 2.262297 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=63) 0 -11.683670 -6.085376 3.613529 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=63) 0 -11.544296 -5.048728 3.363291 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=63) 0 -12.779129 -6.482794 4.393745 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=63) 0 -13.490475 -5.750857 4.739980 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=63) 0 -14.087314 -7.729184 8.136435 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=63) 0 -13.382857 -6.828156 8.590701 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=64) 0 -15.298594 -8.000836 8.633994 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=64) 0 -15.850597 -8.723531 8.190175 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=64) 0 -15.854857 -7.312938 9.794265 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=64) 0 -15.737471 -6.238833 9.641342 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=64) 0 -17.359182 -7.597504 9.854361 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=64) 0 -17.552297 -8.666012 9.890412 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=64) 0 -17.786129 -7.138014 10.743423 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=64) 0 -17.846792 -7.181538 8.972140 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=64) 0 -15.102524 -7.651136 11.101437 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=64) 0 -14.784273 -6.725372 11.852891 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=65) 0 -14.726272 -8.917896 11.358360 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=65) 0 -15.042596 -9.649980 10.730288 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=65) 0 -13.873407 -9.288208 12.511896 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=65) 0 -14.346710 -8.941683 13.432533 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=65) 0 -13.652208 -10.811720 12.611825 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=65) 0 -13.640956 -11.241139 11.613465 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=65) 0 -12.673892 -10.971452 13.064270 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=65) 0 -14.642139 -11.584948 13.492841 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=65) 0 -14.496498 -11.287855 14.532366 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=65) 0 -15.658642 -11.331177 13.199046 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=65) 0 -14.477363 -13.113439 13.373091 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=65) 0 -15.125162 -13.590372 14.109009 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=65) 0 -14.837079 -13.400248 12.384990 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=65) 0 -13.039985 -13.647061 13.548637 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=65) 0 -12.389394 -13.116707 12.848359 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=65) 0 -12.693205 -13.458442 14.567708 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=65) 0 -12.965181 -15.094923 13.231003 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=65) 0 -13.360645 -15.245792 12.298607 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=65) 0 -12.014815 -15.445103 13.184247 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=65) 0 -13.487550 -15.649286 13.900896 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=65) 0 -12.512787 -8.591983 12.439799 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=65) 0 -12.051583 -8.094530 13.461212 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=66) 0 -11.897487 -8.511345 11.258410 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=66) 0 -12.312451 -9.007190 10.476641 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=66) 0 -10.625101 -7.828567 11.029563 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=66) 0 -9.889938 -8.205064 11.741724 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=66) 0 -10.129330 -8.161393 9.618442 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=66) 0 -9.172718 -7.667975 9.444421 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=66) 0 -9.994703 -9.236009 9.514808 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=66) 0 -10.849148 -7.824034 8.872832 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=66) 0 -10.738072 -6.310638 11.235178 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=66) 0 -9.876443 -5.720137 11.883215 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=67) 0 -11.812971 -5.681126 10.748014 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=67) 0 -12.458057 -6.200303 10.160597 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=67) 0 -12.069997 -4.258002 10.962267 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=67) 0 -11.197134 -3.693653 10.646635 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=67) 0 -13.260634 -3.831088 10.102724 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=67) 0 -13.424234 -2.761461 10.221716 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=67) 0 -13.050250 -4.042140 9.057862 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=67) 0 -14.161742 -4.367150 10.402124 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=67) 0 -12.295326 -3.920269 12.439635 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=67) 0 -11.714102 -2.953259 12.937302 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=68) 0 -13.078630 -4.745154 13.142171 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=68) 0 -13.518761 -5.514485 12.649493 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=68) 0 -13.308935 -4.630499 14.581435 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=68) 0 -13.703226 -3.640145 14.810523 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=68) 0 -14.041196 -5.378487 14.886246 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=68) 0 -12.026523 -4.851550 15.383741 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=68) 0 -11.710729 -4.028503 16.240786 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=69) 0 -11.253757 -5.893105 15.036191 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=69) 0 -11.614466 -6.524859 14.329004 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=69) 0 -9.935597 -6.214570 15.603028 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=69) 0 -10.043145 -6.378525 16.677377 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=69) 0 -9.376545 -7.503645 14.972395 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=69) 0 -9.960058 -8.344795 15.338661 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=69) 0 -9.488058 -7.457453 13.890265 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=69) 0 -7.889110 -7.748308 15.279596 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=69) 0 -7.285948 -7.051032 14.696806 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=69) 0 -7.698119 -7.565283 16.338161 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=69) 0 -7.462550 -9.174129 14.904986 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=69) 0 -8.129342 -9.577494 14.141139 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=69) 0 -6.454277 -9.153385 14.490089 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=69) 0 -7.479954 -10.086112 16.132408 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=69) 0 -8.344790 -9.842004 16.755324 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=69) 0 -7.577598 -11.120942 15.793650 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=69) 0 -6.223558 -9.952652 16.903986 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=69) 0 -5.457826 -10.303328 16.335495 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=69) 0 -5.987215 -8.977386 17.103550 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=69) 0 -6.247473 -10.500081 17.758858 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=69) 0 -8.963252 -5.060398 15.452847 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=69) 0 -8.537518 -4.519045 16.459802 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=70) 0 -8.633739 -4.642606 14.230591 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=70) 0 -9.040427 -5.108399 13.427106 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=70) 0 -7.622573 -3.603734 14.021034 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=70) 0 -6.719813 -3.907918 14.547929 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=70) 0 -7.300529 -3.486243 12.518505 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=70) 0 -8.227151 -3.540668 11.945142 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=70) 0 -6.852915 -2.512726 12.321509 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=70) 0 -6.319566 -4.573159 12.031738 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=70) 0 -6.668319 -5.553482 12.355328 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=70) 0 -6.231400 -4.566354 10.505085 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=70) 0 -6.157363 -3.544086 10.138644 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=70) 0 -5.367356 -5.136124 10.166379 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=70) 0 -7.122229 -5.034826 10.100697 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=70) 0 -4.903453 -4.351308 12.565129 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=70) 0 -4.560773 -3.358027 12.288300 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=70) 0 -4.883517 -4.442619 13.648835 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=70) 0 -4.226501 -5.099552 12.157217 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=70) 0 -8.038107 -2.272597 14.665147 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=70) 0 -7.194149 -1.582719 15.235232 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=71) 0 -9.338953 -1.956033 14.696059 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=71) 0 -9.995757 -2.566873 14.225119 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=71) 0 -9.849610 -0.764618 15.385146 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=71) 0 -9.208250 0.074117 15.108833 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=71) 0 -11.256131 -0.468766 14.851760 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=71) 0 -11.185693 -0.400759 13.765330 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=71) 0 -11.922624 -1.296758 15.099429 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=71) 0 -11.868211 0.839386 15.370058 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=71) 0 -12.224164 0.689235 16.387809 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=71) 0 -11.117597 1.627458 15.365899 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=71) 0 -13.033415 1.246651 14.456832 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=71) 0 -12.640071 1.697757 13.544021 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=71) 0 -13.577922 0.345447 14.178347 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=71) 0 -14.043297 2.194462 15.107274 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=71) 0 -14.850012 2.377511 14.394476 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=71) 0 -14.487198 1.696838 15.974592 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=71) 0 -13.470348 3.492683 15.527909 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=71) 0 -13.000128 3.988393 14.776936 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=71) 0 -14.236361 4.073168 15.869554 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=71) 0 -12.848650 3.362397 16.321136 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=71) 0 -9.755882 -0.887063 16.912194 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=71) 0 -9.407957 0.103348 17.554447 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=72) 0 -9.960148 -2.073463 17.487914 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=72) 0 -10.260690 -2.844848 16.903382 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=72) 0 -9.768787 -2.352322 18.915690 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=72) 0 -10.212114 -1.539741 19.491961 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=72) 0 -10.531323 -3.635802 19.260165 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=72) 0 -10.102950 -4.485279 18.726104 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=72) 0 -10.470577 -3.822473 20.331476 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=72) 0 -11.581021 -3.531355 18.985805 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=72) 0 -8.279494 -2.437018 19.315978 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=72) 0 -7.891528 -1.923325 20.366256 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=73) 0 -7.414970 -2.959721 18.443706 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=73) 0 -7.807386 -3.431845 17.634848 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=73) 0 -5.944967 -2.922150 18.537146 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=73) 0 -5.649488 -3.286365 19.518972 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=73) 0 -5.323408 -3.867149 17.484864 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=73) 0 -5.708460 -3.600361 16.501938 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=73) 0 -4.244164 -3.712609 17.474086 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=73) 0 -5.579470 -5.365302 17.753958 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=73) 0 -5.187299 -5.609353 18.740931 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=73) 0 -6.650775 -5.559798 17.777378 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=73) 0 -4.924505 -6.301113 16.720250 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=73) 0 -4.337349 -5.820034 15.724744 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=73) 0 -4.972314 -7.542878 16.910721 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=73) 0 -5.369813 -1.491083 18.400088 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=73) 0 -4.153976 -1.293658 18.485887 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=74) 0 -6.225842 -0.479943 18.200501 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=74) 0 -7.206829 -0.709335 18.132124 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=74) 0 -5.849622 0.930844 18.078792 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=74) 0 -6.741572 1.543996 18.203858 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=74) 0 -5.144272 1.182719 18.871153 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=74) 0 -5.207680 1.288058 16.735279 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=74) 0 -4.667358 2.384669 16.589810 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=75) 0 -5.257856 0.388258 15.754298 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=75) 0 -5.810841 -0.449195 15.904388 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=75) 0 -4.506412 0.469640 14.504665 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=75) 0 -3.476142 0.730515 14.747036 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=75) 0 -4.494874 -0.893806 13.818475 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=75) 0 -4.227439 -1.674863 14.531681 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=75) 0 -5.484099 -1.102768 13.414520 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=75) 0 -3.561831 -0.873904 12.763889 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=75) 0 -2.736903 -1.290800 13.098885 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=75) 0 -5.047707 1.504935 13.522843 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=75) 0 -6.258877 1.643109 13.319236 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=76) 0 -4.124795 2.178464 12.845581 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=76) 0 -3.152093 2.019001 13.103054 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=76) 0 -4.359485 3.019913 11.674156 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=76) 0 -5.224284 3.650980 11.882812 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=76) 0 -3.144875 3.950317 11.475888 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=76) 0 -3.446330 4.739847 10.789163 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=76) 0 -2.909299 4.434470 12.424903 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=76) 0 -1.861838 3.310773 10.903153 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=76) 0 -2.087293 2.915628 9.910703 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=76) 0 -1.123717 4.104116 10.769039 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=76) 0 -1.233551 2.204034 11.768888 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=76) 0 -1.352531 2.256743 13.017658 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=76) 0 -0.647358 1.266526 11.187000 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=76) 0 -4.687332 2.218818 10.397053 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=76) 0 -5.219685 2.793310 9.444233 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=77) 0 -4.407806 0.908594 10.374794 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=77) 0 -3.995286 0.495146 11.206659 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=77) 0 -4.732977 0.001276 9.264126 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=77) 0 -4.391286 0.454799 8.335685 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=77) 0 -4.054321 -1.379236 9.442561 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=77) 0 -4.539766 -1.869308 10.286892 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=77) 0 -4.280553 -2.242580 8.185434 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=77) 0 -5.342481 -2.436729 8.034280 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=77) 0 -3.883291 -1.742159 7.303195 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=77) 0 -3.783163 -3.201587 8.301616 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=77) 0 -2.542836 -1.321995 9.756292 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=77) 0 -1.980392 -1.101776 8.851897 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=77) 0 -2.338107 -0.530529 10.470977 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=77) 0 -2.029693 -2.627258 10.381803 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=77) 0 -2.012758 -3.430631 9.647689 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=77) 0 -1.025611 -2.471676 10.768674 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=77) 0 -2.658380 -2.922304 11.217075 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=77) 0 -6.250230 -0.197708 9.195189 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=77) 0 -6.869235 -0.521073 10.212656 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=78) 0 -6.853099 -0.063350 8.006610 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=78) 0 -6.271882 0.186001 7.209069 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=78) 0 -8.296598 -0.277384 7.783108 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=78) 0 -8.737981 -0.660813 8.704202 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=78) 0 -8.995201 1.056175 7.440744 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=78) 0 -8.575813 1.449599 6.516301 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=78) 0 -10.055487 0.870238 7.266048 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=78) 0 -8.879697 2.147265 8.518318 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=78) 0 -7.837830 2.455347 8.602763 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=78) 0 -9.462161 3.006621 8.192472 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=78) 0 -9.371835 1.726040 9.907602 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=78) 0 -8.846486 0.829107 10.207814 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=78) 0 -9.106825 2.492744 10.631621 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=78) 0 -10.820189 1.457832 9.950029 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=78) 0 -11.087445 0.483489 10.043997 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=78) 0 -11.775947 2.354847 10.082760 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=78) 0 -11.512941 3.611853 10.264308 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=78) 0 -10.558291 3.905324 10.461013 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=78) 0 -12.261375 4.247747 10.476089 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=78) 0 -13.027264 2.005326 10.039106 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=78) 0 -13.275276 1.057729 9.776014 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=78) 0 -13.754238 2.720105 10.038204 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=78) 0 -8.594453 -1.361818 6.747281 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=78) 0 -7.725403 -1.824061 6.009271 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=79) 0 -9.863279 -1.757930 6.712552 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=79) 0 -10.505626 -1.305614 7.344201 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=79) 0 -10.437862 -2.758821 5.818283 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=79) 0 -9.691778 -3.101129 5.104116 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=79) 0 -10.963253 -3.960078 6.630829 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=79) 0 -11.735476 -3.598137 7.307708 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=79) 0 -11.457584 -4.635592 5.937397 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=79) 0 -9.975340 -4.806865 7.453448 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=79) 0 -10.549012 -5.630907 7.876133 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=79) 0 -8.861252 -5.402334 6.599213 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=79) 0 -9.293298 -6.016521 5.808759 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=79) 0 -8.258204 -4.606481 6.164075 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=79) 0 -8.219247 -6.021470 7.223540 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=79) 0 -9.337273 -4.053790 8.620815 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=79) 0 -8.389312 -3.604175 8.327486 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=79) 0 -10.002313 -3.272300 8.978883 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=79) 0 -9.158834 -4.755145 9.430737 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=79) 0 -11.601335 -2.102717 5.069987 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=79) 0 -12.419950 -1.451562 5.711074 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=80) 0 -11.711225 -2.277547 3.755849 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=80) 0 -10.993647 -2.822712 3.290199 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=80) 0 -12.776279 -1.711084 2.922251 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=80) 0 -13.500019 -1.203988 3.554924 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=80) 0 -12.160219 -0.673165 1.984218 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=80) 0 -11.734702 0.143825 2.564071 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=80) 0 -11.379815 -1.137748 1.385158 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=80) 0 -12.930062 -0.281062 1.321435 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=80) 0 -13.538252 -2.783567 2.130813 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=80) 0 -12.961738 -3.812026 1.796904 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=81) 0 -14.805992 -2.527691 1.788536 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=81) 0 -15.186018 -1.629724 2.070545 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=81) 0 -15.668003 -3.386582 0.966763 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=81) 0 -15.034570 -4.153922 0.521511 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=81) 0 -16.697122 -4.134864 1.839262 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=81) 0 -17.212204 -4.863348 1.213609 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=81) 0 -16.152175 -4.689567 2.599847 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=81) 0 -17.745596 -3.249793 2.537217 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=81) 0 -17.245488 -2.504657 3.155948 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=81) 0 -18.330722 -2.730134 1.779052 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=81) 0 -16.295548 -2.609431 -0.196577 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=81) 0 -16.876525 -1.535620 -0.016765 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=82) 0 -16.185332 -3.175388 -1.392789 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=82) 0 -15.608187 -4.007840 -1.452215 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=82) 0 -16.652644 -2.616339 -2.664636 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=82) 0 -17.071794 -1.630525 -2.498317 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=82) 0 -15.491628 -2.424429 -3.652768 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=82) 0 -15.037779 -3.389059 -3.865800 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=82) 0 -15.999166 -1.819123 -4.968903 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=82) 0 -16.546370 -0.898033 -4.770791 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=82) 0 -15.159293 -1.612550 -5.628687 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=82) 0 -16.662887 -2.520313 -5.474686 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=82) 0 -14.420477 -1.503147 -3.054556 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=82) 0 -14.874981 -0.574729 -2.711870 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=82) 0 -13.938741 -1.998457 -2.212072 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=82) 0 -13.654214 -1.286232 -3.797708 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=82) 0 -17.734135 -3.514366 -3.250315 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=82) 0 -17.487169 -4.688717 -3.534429 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=83) 0 -18.926978 -2.955540 -3.437050 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=83) 0 -19.077024 -2.001338 -3.123116 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=83) 0 -20.061780 -3.664643 -4.021932 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=83) 0 -20.065383 -4.684401 -3.629713 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=83) 0 -21.361387 -3.000036 -3.551258 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=83) 0 -21.304320 -2.824493 -2.474638 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=83) 0 -21.492301 -2.038241 -4.050261 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=83) 0 -22.556772 -3.899472 -3.842063 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=83) 0 -22.712247 -4.303583 -5.013232 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=83) 0 -23.314767 -4.221809 -2.897506 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=83) 0 -19.943616 -3.750794 -5.558207 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=83) 0 -20.047369 -2.755387 -6.283188 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=84) 0 -19.718833 -4.961202 -6.068027 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=84) 0 -19.666844 -5.746143 -5.426304 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=84) 0 -19.489713 -5.226865 -7.484782 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=84) 0 -18.848393 -4.433425 -7.870664 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=84) 0 -18.716910 -6.545829 -7.614980 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=84) 0 -18.418184 -6.690709 -8.653562 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=84) 0 -17.822151 -6.516922 -6.991838 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=84) 0 -19.349053 -7.379227 -7.306239 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=84) 0 -20.768975 -5.211506 -8.347061 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=84) 0 -20.659529 -5.357566 -9.568125 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=85) 0 -21.959596 -5.029214 -7.763737 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=85) 0 -22.009106 -4.938154 -6.749361 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=85) 0 -23.229426 -4.896456 -8.504345 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=85) 0 -23.047743 -5.033014 -9.570223 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=85) 0 -24.248314 -5.979010 -8.102785 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=85) 0 -25.128111 -5.881614 -8.738434 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=85) 0 -23.701994 -7.400030 -8.240370 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=85) 0 -22.851200 -7.550292 -7.577507 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=85) 0 -24.485766 -8.112418 -7.982653 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=85) 0 -23.402328 -7.575092 -9.272020 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=85) 0 -24.651514 -5.831660 -6.765952 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=85) 0 -25.377792 -5.169478 -6.784193 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=85) 0 -23.838059 -3.499137 -8.359970 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=85) 0 -24.444362 -3.003290 -9.309927 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=86) 0 -23.656837 -2.816226 -7.222843 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=86) 0 -23.234848 -3.314947 -6.438057 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=86) 0 -24.228988 -1.479583 -6.978361 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=86) 0 -25.026973 -1.303732 -7.699344 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=86) 0 -24.876233 -1.384587 -5.585537 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=86) 0 -24.094814 -1.372396 -4.824276 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=86) 0 -25.406837 -0.433096 -5.530039 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=86) 0 -25.871291 -2.505852 -5.245401 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=86) 0 -25.306667 -3.358571 -4.874206 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=86) 0 -26.523100 -2.163343 -4.439187 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=86) 0 -26.721715 -2.955394 -6.437423 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=86) 0 -27.418570 -2.119408 -7.061356 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=86) 0 -26.660555 -4.147457 -6.817000 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=86) 0 -23.244700 -0.324019 -7.195265 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=86) 0 -23.654268 0.713577 -7.717511 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=87) 0 -21.957727 -0.476451 -6.862271 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=87) 0 -21.659842 -1.350500 -6.441059 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=87) 0 -20.925718 0.504537 -7.239729 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=87) 0 -21.382069 1.487538 -7.361744 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=87) 0 -19.829248 0.625990 -6.164878 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=87) 0 -19.412257 -0.352943 -5.938713 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=87) 0 -19.018027 1.240038 -6.560097 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=87) 0 -20.332969 1.265130 -4.866870 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=87) 0 -21.114818 0.639049 -4.431650 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=87) 0 -19.506763 1.310984 -4.156417 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=87) 0 -20.862495 2.678547 -5.117041 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=87) 0 -22.054720 2.937682 -4.839397 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=87) 0 -20.097470 3.537631 -5.614054 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=87) 0 -20.317481 0.162985 -8.598971 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=87) 0 -20.252986 1.034521 -9.467843 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=88) 0 -19.930114 -1.105970 -8.791895 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=88) 0 -20.047416 -1.728097 -7.995947 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=88) 0 -19.353016 -1.696357 -10.014342 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=88) 0 -19.103626 -2.730327 -9.778593 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=88) 0 -20.418928 -1.749760 -11.115903 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=88) 0 -21.306855 -2.263109 -10.742417 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=88) 0 -20.697047 -0.736527 -11.409125 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=88) 0 -19.922496 -2.439146 -12.243498 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=88) 0 -20.533241 -2.237255 -12.988396 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=88) 0 -18.047786 -1.048462 -10.509958 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=88) 0 -16.995168 -1.686232 -10.505377 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=89) 0 -18.076511 0.234270 -10.870416 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=89) 0 -18.963685 0.711335 -10.758366 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=89) 0 -16.978346 0.967436 -11.509105 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=89) 0 -16.672182 0.421930 -12.401558 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=89) 0 -17.459441 2.363288 -11.914903 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=89) 0 -17.782061 2.904142 -11.025044 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=89) 0 -16.625999 2.907398 -12.358023 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=89) 0 -18.586172 2.325905 -12.933922 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=89) 0 -18.464517 1.594230 -13.937305 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=89) 0 -19.577141 3.073037 -12.756427 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=89) 0 -15.742384 1.132245 -10.624656 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=89) 0 -14.642112 1.323733 -11.142346 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=90) 0 -15.901812 1.042939 -9.301385 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=90) 0 -16.838536 0.920132 -8.948139 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=90) 0 -14.775592 0.990622 -8.372149 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=90) 0 -14.051870 1.743476 -8.676704 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=90) 0 -15.270631 1.343027 -6.957577 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=90) 0 -15.681864 2.352528 -6.970782 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=90) 0 -16.066610 0.653957 -6.674264 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=90) 0 -14.153947 1.274100 -5.900356 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=90) 0 -13.785014 0.252371 -5.830538 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=90) 0 -12.985612 2.190297 -6.239960 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=90) 0 -13.318335 3.225825 -6.316309 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=90) 0 -12.235235 2.090553 -5.463419 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=90) 0 -12.520777 1.895566 -7.177936 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=90) 0 -14.671463 1.679389 -4.524340 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=90) 0 -13.917089 1.449138 -3.774722 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=90) 0 -14.872416 2.745279 -4.501528 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=90) 0 -15.585791 1.138463 -4.290869 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=90) 0 -14.053603 -0.364979 -8.431238 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=90) 0 -12.828762 -0.419095 -8.375891 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=91) 0 -14.795399 -1.460140 -8.598162 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=91) 0 -15.785277 -1.356289 -8.771463 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=91) 0 -14.215569 -2.790711 -8.735033 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=91) 0 -13.440000 -2.910741 -7.981623 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=91) 0 -15.324147 -3.820015 -8.471373 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=91) 0 -14.879230 -4.793062 -8.284758 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=91) 0 -15.897198 -3.539997 -7.587479 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=91) 0 -15.996503 -3.886624 -9.327849 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=91) 0 -13.520269 -2.944265 -10.097616 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=91) 0 -12.353736 -3.331713 -10.163051 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=92) 0 -14.178948 -2.502218 -11.173267 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=92) 0 -15.137193 -2.190120 -11.049455 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=92) 0 -13.619015 -2.504286 -12.530306 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=92) 0 -13.173022 -3.483988 -12.700599 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=92) 0 -14.752722 -2.315713 -13.557876 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=92) 0 -15.226926 -1.349452 -13.385235 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=92) 0 -14.322207 -2.305406 -14.560220 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=92) 0 -15.835815 -3.412832 -13.510776 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=92) 0 -16.361521 -3.376566 -12.557106 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=92) 0 -16.566063 -3.216817 -14.295868 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=92) 0 -15.263389 -4.814628 -13.701664 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=92) 0 -14.900812 -5.499983 -12.753565 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=92) 0 -15.098634 -5.289923 -14.914803 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=92) 0 -14.651057 -6.198710 -15.016643 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=92) 0 -15.406310 -4.765923 -15.714167 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=92) 0 -12.461888 -1.501294 -12.739095 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=92) 0 -11.849234 -1.493367 -13.808656 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=93) 0 -12.106752 -0.693493 -11.729393 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=93) 0 -12.655818 -0.716703 -10.881979 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=93) 0 -10.892958 0.137613 -11.727022 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=93) 0 -10.665995 0.396626 -12.757775 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=93) 0 -11.149562 1.447636 -10.951327 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=93) 0 -12.213168 1.534651 -10.751063 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=93) 0 -10.656260 1.414705 -9.978619 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=93) 0 -10.728591 2.721068 -11.711678 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=93) 0 -10.805508 2.571378 -12.787346 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=93) 0 -11.423941 3.518768 -11.457516 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=93) 0 -9.332738 3.215947 -11.352514 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=93) 0 -9.164186 4.002932 -10.430118 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=93) 0 -8.303923 2.822511 -12.065231 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=93) 0 -7.369946 3.079432 -11.765929 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=93) 0 -8.443008 2.191101 -12.850228 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=93) 0 -9.652507 -0.601501 -11.198022 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=93) 0 -8.539843 -0.191748 -11.517104 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=94) 0 -9.814582 -1.696249 -10.442015 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=94) 0 -10.757651 -2.003115 -10.232129 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=94) 0 -8.711933 -2.373069 -9.735957 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=94) 0 -7.770425 -2.002625 -10.139684 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=94) 0 -8.736689 -1.987214 -8.246905 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=94) 0 -9.660627 -2.361171 -7.803729 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=94) 0 -7.902294 -2.471104 -7.738157 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=94) 0 -8.618324 -0.492414 -8.005450 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=94) 0 -7.496199 0.210742 -8.489342 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=94) 0 -6.707973 -0.316861 -9.007857 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=94) 0 -7.415915 1.608148 -8.347977 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=94) 0 -6.572752 2.140475 -8.755105 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=94) 0 -8.447529 2.305052 -7.687916 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=94) 0 -8.408547 3.655969 -7.561279 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=94) 0 -7.716100 4.050029 -8.107321 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=94) 0 -9.546432 1.597317 -7.170066 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=94) 0 -10.315668 2.147358 -6.660302 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=94) 0 -9.642547 0.204106 -7.337449 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=94) 0 -10.512711 -0.321835 -6.972793 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=94) 0 -8.638194 -3.891597 -9.968535 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=94) 0 -8.026978 -4.608510 -9.180633 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=95) 0 -9.221667 -4.389814 -11.061912 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=95) 0 -9.762217 -3.763253 -11.636621 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=95) 0 -9.012023 -5.759015 -11.541084 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=95) 0 -9.405355 -5.854022 -12.553693 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=95) 0 -7.942637 -5.955103 -11.573230 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=95) 0 -9.656748 -6.825956 -10.656517 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=95) 0 -9.032972 -7.361920 -9.735695 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=96) 0 -10.915177 -7.149186 -10.952452 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=96) 0 -11.352353 -6.665422 -11.732727 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=96) 0 -11.684488 -8.193255 -10.266876 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=96) 0 -11.425541 -8.173417 -9.209080 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=96) 0 -13.200922 -7.938267 -10.370184 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=96) 0 -13.501806 -7.971353 -11.414826 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=96) 0 -14.015594 -8.968479 -9.577129 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=96) 0 -15.079891 -8.754859 -9.677331 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=96) 0 -13.840098 -9.970350 -9.963454 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=96) 0 -13.740187 -8.938319 -8.522948 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=96) 0 -13.576179 -6.562906 -9.822711 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=96) 0 -14.655268 -6.428494 -9.894752 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=96) 0 -13.250862 -6.468318 -8.786557 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=96) 0 -13.102221 -5.788719 -10.422235 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=96) 0 -11.291886 -9.559573 -10.827694 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=96) 0 -11.842015 -10.028855 -11.832454 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=97) 0 -10.355313 -10.229292 -10.153758 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=97) 0 -9.972261 -9.768757 -9.335882 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=97) 0 -9.946826 -11.619708 -10.404274 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=97) 0 -9.943263 -11.783875 -11.480780 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=97) 0 -8.504532 -11.844889 -9.941349 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=97) 0 -8.232181 -12.854606 -10.242187 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=97) 0 -7.855857 -11.159428 -10.485230 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=97) 0 -8.238783 -11.661065 -8.433396 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=97) 0 -8.008429 -10.612966 -8.239798 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=97) 0 -9.115228 -11.926286 -7.844289 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=97) 0 -7.069838 -12.542690 -7.972373 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=97) 0 -6.828131 -12.299601 -6.939036 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=97) 0 -7.375325 -13.587512 -7.991461 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=97) 0 -5.874079 -12.330366 -8.803472 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=97) 0 -5.430311 -11.421709 -8.711840 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=97) 0 -5.385423 -13.122615 -9.737771 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=97) 0 -5.910380 -14.280156 -10.033362 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=97) 0 -6.753195 -14.595499 -9.570328 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=97) 0 -5.532488 -14.846372 -10.781549 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=97) 0 -4.353266 -12.726642 -10.417478 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=97) 0 -4.024912 -11.772065 -10.318221 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=97) 0 -4.000881 -13.304524 -11.172147 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=97) 0 -10.944717 -12.638625 -9.844598 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=97) 0 -10.586906 -13.552996 -9.098863 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=98) 0 -12.214764 -12.460975 -10.191057 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=98) 0 -12.429010 -11.693566 -10.811893 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=98) 0 -13.315568 -13.218061 -9.613047 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=98) 0 -14.142664 -13.268712 -10.318341 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=98) 0 -12.974096 -14.230518 -9.415860 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=98) 0 -13.826558 -12.660978 -8.287927 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=98) 0 -13.348279 -11.642140 -7.782403 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=99) 0 -14.806497 -13.349533 -7.709197 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=99) 0 -15.108536 -14.210301 -8.158652 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=99) 0 -15.467781 -12.937919 -6.476255 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=99) 0 -15.100673 -11.946509 -6.231622 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=99) 0 -16.974446 -12.764515 -6.690391 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=99) 0 -17.451295 -13.740488 -6.644461 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=99) 0 -17.370686 -12.186390 -5.856589 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=99) 0 -17.389994 -12.076209 -7.980042 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=99) 0 -17.404103 -10.669864 -8.068903 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=99) 0 -17.062121 -10.070329 -7.237535 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=99) 0 -17.881145 -10.042851 -9.238105 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=99) 0 -17.901063 -8.966817 -9.309131 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=99) 0 -18.353347 -10.823238 -10.316495 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=99) 0 -18.830003 -10.247633 -11.446857 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=99) 0 -18.759553 -9.273976 -11.417791 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=99) 0 -18.304046 -12.225360 -10.238018 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=99) 0 -18.653429 -12.820797 -11.071237 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=99) 0 -17.818509 -12.848296 -9.078037 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=99) 0 -17.812768 -13.928286 -9.034084 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=99) 0 -15.157869 -13.909763 -5.317498 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=99) 0 -15.150873 -15.131309 -5.514356 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=100) 0 -14.873294 -13.400449 -4.104705 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=100) 0 -14.777341 -14.197548 -2.893052 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=100) 0 -14.182310 -15.095897 -3.056447 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=100) 0 -15.780779 -14.468029 -2.574004 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=100) 0 -14.119328 -13.305803 -1.840252 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=100) 0 -13.040731 -13.458329 -1.853793 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=100) 0 -14.520469 -13.496047 -0.844893 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=100) 0 -14.438059 -11.891636 -2.324748 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=100) 0 -13.707769 -11.162009 -1.971903 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=100) 0 -15.442679 -11.612453 -2.003189 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=100) 0 -14.411950 -12.039088 -3.846537 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=100) 0 -15.099238 -11.308512 -4.270375 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=100) 0 -12.995770 -11.822515 -4.419426 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=100) 0 -12.170010 -12.740778 -4.440227 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=101) 0 -12.695895 -10.597856 -4.841308 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=101) 0 -13.424984 -9.892648 -4.777002 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=101) 0 -11.317706 -10.114661 -5.030549 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=101) 0 -10.643209 -10.956130 -5.180336 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=101) 0 -11.206949 -9.233597 -6.283573 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=101) 0 -12.055588 -8.558684 -6.337794 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=101) 0 -9.917203 -8.420735 -6.400714 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=101) 0 -9.052783 -9.083423 -6.378294 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=101) 0 -9.921881 -7.872140 -7.340840 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=101) 0 -9.844357 -7.695877 -5.591926 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=101) 0 -11.223939 -10.067250 -7.411264 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=101) 0 -12.045688 -10.597447 -7.407349 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=101) 0 -10.879624 -9.397451 -3.756127 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=101) 0 -11.700444 -8.772778 -3.085000 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=102) 0 -9.600433 -9.503569 -3.400978 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=102) 0 -8.972253 -10.021272 -4.007373 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=102) 0 -9.002679 -8.838760 -2.242502 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=102) 0 -9.659948 -8.028728 -1.948554 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=102) 0 -8.850510 -9.779304 -1.022008 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=102) 0 -8.006132 -10.438587 -1.207457 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=102) 0 -8.539160 -8.914394 0.212538 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=102) 0 -8.358936 -9.544707 1.084222 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=102) 0 -7.648166 -8.307987 0.057409 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=102) 0 -9.382156 -8.255067 0.416878 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=102) 0 -10.076741 -10.656782 -0.667798 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=102) 0 -10.038209 -10.912342 0.392221 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=102) 0 -10.994860 -10.093952 -0.835586 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=102) 0 -10.136577 -11.990960 -1.424623 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=102) 0 -10.345670 -11.831124 -2.478220 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=102) 0 -9.189485 -12.520937 -1.319091 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=102) 0 -10.929177 -12.609429 -1.006705 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=102) 0 -7.645711 -8.247882 -2.648623 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=102) 0 -6.799246 -8.967092 -3.184145 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=103) 0 -7.423767 -6.958641 -2.372997 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=103) 0 -8.175375 -6.444004 -1.920485 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=103) 0 -6.169488 -6.234526 -2.661305 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=103) 0 -5.373111 -6.954439 -2.852109 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=103) 0 -6.338887 -5.359627 -3.916661 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=103) 0 -7.248246 -4.768035 -3.832490 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=103) 0 -5.494039 -4.671234 -3.988542 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=103) 0 -6.367811 -6.199218 -5.200027 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=103) 0 -5.423448 -6.732282 -5.267602 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=103) 0 -7.183615 -6.921540 -5.166548 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=103) 0 -6.523273 -5.326300 -6.448489 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=103) 0 -7.575857 -5.090858 -6.612418 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=103) 0 -5.979403 -4.392549 -6.303043 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=103) 0 -5.923660 -6.018263 -7.677115 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=103) 0 -5.882144 -5.293992 -8.496183 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=103) 0 -4.898496 -6.308992 -7.438083 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=103) 0 -6.683256 -7.209389 -8.124600 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=103) 0 -7.603964 -6.964193 -8.481452 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=103) 0 -6.181415 -7.662203 -8.880512 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=103) 0 -6.745239 -7.919065 -7.393285 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=103) 0 -5.696700 -5.389726 -1.478273 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=103) 0 -6.475585 -5.088315 -0.581855 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=104) 0 -4.436017 -4.980421 -1.490494 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=104) 0 -3.869936 -5.261488 -2.284309 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=104) 0 -3.814033 -4.052322 -0.547792 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=104) 0 -4.511355 -3.826459 0.256314 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=104) 0 -2.574814 -4.726407 0.048587 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=104) 0 -2.883308 -5.668731 0.492787 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=104) 0 -1.893906 -4.971450 -0.764098 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=104) 0 -1.824300 -3.917683 1.092649 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=104) 0 -2.468572 -3.508070 2.276475 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=104) 0 -3.505496 -3.758684 2.444005 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=104) 0 -1.770385 -2.760663 3.241816 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=104) 0 -2.276471 -2.438419 4.139289 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=104) 0 -0.418999 -2.433506 3.035623 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=104) 0 0.123805 -1.858806 3.772048 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=104) 0 0.229073 -2.851367 1.861577 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=104) 0 1.272598 -2.619556 1.703304 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=104) 0 -0.471130 -3.585377 0.889179 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=104) 0 0.042339 -3.897859 -0.011147 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=104) 0 -3.458463 -2.733255 -1.235742 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=104) 0 -3.193786 -2.722342 -2.433313 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=105) 0 -3.461151 -1.643109 -0.468115 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=105) 0 -3.743399 -1.751412 0.500505 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=105) 0 -3.108186 -0.285594 -0.881380 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=105) 0 -2.401654 -0.328816 -1.713224 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=105) 0 -4.371123 0.461105 -1.334247 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=105) 0 -5.112281 0.398043 -0.536067 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=105) 0 -4.115254 1.513376 -1.456173 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=105) 0 -5.011309 -0.009502 -2.628843 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=105) 0 -4.732691 0.660082 -3.835614 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=105) 0 -4.022567 1.474732 -3.848681 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=105) 0 -5.383144 0.276916 -5.022103 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=105) 0 -5.174155 0.794968 -5.947926 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=105) 0 -6.297473 -0.791153 -5.010013 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=105) 0 -6.792444 -1.084744 -5.924073 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=105) 0 -6.560579 -1.479201 -3.813066 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=105) 0 -7.259075 -2.302325 -3.805120 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=105) 0 -5.925310 -1.081052 -2.623120 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=105) 0 -6.130914 -1.603598 -1.701531 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=105) 0 -2.453248 0.476557 0.287964 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=105) 0 -2.676141 0.158712 1.462842 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=106) 0 -1.669435 1.515624 -0.029353 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=106) 0 -1.593901 1.774437 -1.005417 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=106) 0 -0.938324 2.356933 0.938236 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=106) 0 -1.381456 2.242360 1.925434 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=106) 0 0.548074 1.956909 0.988282 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=106) 0 1.011669 2.268637 0.049684 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=106) 0 1.010164 2.511609 1.804346 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=106) 0 0.873085 0.475404 1.204192 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=106) 0 0.553292 0.168264 2.199308 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=106) 0 0.350643 -0.128949 0.462872 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=106) 0 2.378968 0.225332 1.030052 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=106) 0 2.531045 -0.849647 1.018628 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=106) 0 2.696603 0.615611 0.060824 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=106) 0 3.201674 0.835248 2.093529 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=106) 0 3.466712 1.808338 2.001432 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=106) 0 3.625099 0.258753 3.200106 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=106) 0 3.534049 -1.015912 3.415752 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=106) 0 3.513500 -1.634123 2.604109 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=106) 0 3.943362 -1.394093 4.262143 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=106) 0 4.161025 0.998069 4.117442 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=106) 0 4.399583 1.956633 3.866931 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=106) 0 4.410196 0.632616 5.031312 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=106) 0 -0.999697 3.837836 0.554653 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=106) 0 -1.222823 4.140679 -0.609258 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=107) 0 -0.667269 4.744430 1.476749 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=107) 0 -0.578000 4.393592 2.424099 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=107) 0 -0.175202 6.112248 1.205677 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=107) 0 -0.163714 6.633345 2.163713 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=107) 0 1.283010 6.024006 0.715942 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=107) 0 1.284730 5.639961 -0.304477 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=107) 0 1.732715 7.017016 0.703326 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=107) 0 2.152831 5.139101 1.575319 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=107) 0 2.193530 5.247639 2.793429 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=107) 0 2.856814 4.213702 0.985816 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=107) 0 3.562609 3.775131 1.569093 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=107) 0 2.954286 4.185784 -0.022341 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=107) 0 -1.021010 7.005962 0.264044 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=107) 0 -0.471750 7.884531 -0.410981 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=108) 0 -2.332772 6.776874 0.144370 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=108) 0 -2.731756 6.005695 0.669337 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=108) 0 -3.159718 7.458914 -0.867677 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=108) 0 -4.208303 7.355756 -0.624027 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=108) 0 -2.942483 8.525449 -0.839579 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=108) 0 -2.935024 6.974651 -2.312241 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=108) 0 -3.481016 7.559820 -3.244048 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=109) 0 -2.108757 5.947966 -2.510501 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=109) 0 -1.774382 5.446524 -1.695417 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=109) 0 -1.485901 5.566540 -3.775340 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=109) 0 -1.481076 6.437656 -4.431738 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=109) 0 -0.021967 5.178319 -3.501777 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=109) 0 0.438234 5.942855 -2.876826 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=109) 0 0.024317 4.232933 -2.959347 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=109) 0 0.772485 5.067832 -4.798458 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=109) 0 0.994149 6.127652 -5.435460 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=109) 0 1.133918 3.941510 -5.205813 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=109) 0 -2.253752 4.447516 -4.489055 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=109) 0 -2.072741 3.256146 -4.228689 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=110) 0 -3.105199 4.825105 -5.441806 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=110) 0 -3.244699 5.814474 -5.611204 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=110) 0 -3.862516 3.854761 -6.250623 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=110) 0 -4.261141 3.102454 -5.571732 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=110) 0 -5.068168 4.497636 -6.941716 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=110) 0 -5.615666 3.717157 -7.466242 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=110) 0 -6.013902 5.171715 -5.948254 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=110) 0 -5.511983 5.986630 -5.425853 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=110) 0 -6.875474 5.573999 -6.475022 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=110) 0 -6.365533 4.437029 -5.227467 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=110) 0 -4.670932 5.473726 -7.874256 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=110) 0 -5.391269 5.513205 -8.530254 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=110) 0 -2.996405 3.088640 -7.260591 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=110) 0 -3.450993 2.077771 -7.796336 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=111) 0 -1.739538 3.505287 -7.464866 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=111) 0 -1.458538 4.376541 -7.036419 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=111) 0 -0.700313 2.770108 -8.193871 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=111) 0 -1.158283 2.318108 -9.073757 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=111) 0 0.349734 3.772360 -8.686127 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=111) 0 0.830933 4.262383 -7.840542 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=111) 0 1.115775 3.248097 -9.256756 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=111) 0 -0.117705 4.514735 -9.332701 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=111) 0 -0.060259 1.611635 -7.391669 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=111) 0 0.810807 0.911013 -7.909707 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=112) 0 -0.519624 1.347894 -6.161113 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=112) 0 -1.173463 2.003899 -5.751637 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=112) 0 -0.080708 0.221215 -5.319292 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=112) 0 0.785972 -0.249943 -5.781358 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=112) 0 0.393301 0.779222 -3.965687 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=112) 0 -0.409088 1.349667 -3.495938 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=112) 0 0.663990 -0.047020 -3.306663 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=112) 0 1.539509 1.596899 -4.121571 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=112) 0 1.275065 2.449034 -4.549458 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=112) 0 -1.121851 -0.916784 -5.133477 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=112) 0 -1.263690 -1.374664 -4.002367 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=113) 0 -1.868048 -1.398587 -6.159270 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=113) 0 -1.745241 -1.061896 -7.574537 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=113) 0 -0.737740 -1.251238 -7.943647 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=113) 0 -2.022356 -0.022735 -7.729081 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=113) 0 -2.759470 -1.921613 -8.324786 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=113) 0 -2.319489 -2.884927 -8.585998 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=113) 0 -3.136077 -1.417692 -9.213062 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=113) 0 -3.843747 -2.101099 -7.269193 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=113) 0 -4.516508 -2.924810 -7.505739 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=113) 0 -4.409983 -1.174821 -7.179230 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=113) 0 -2.998133 -2.332464 -6.006129 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=113) 0 -3.582951 -2.058479 -5.126654 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=113) 0 -2.566860 -3.810197 -5.845081 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=113) 0 -2.991151 -4.681634 -6.614096 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=114) 0 -1.704090 -4.117901 -4.871414 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=114) 0 -1.450993 -3.365484 -4.234950 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=114) 0 -1.140870 -5.464900 -4.647742 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=114) 0 -0.597989 -5.763875 -5.543133 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=114) 0 -0.152253 -5.390866 -3.470962 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=114) 0 0.648599 -4.695353 -3.726058 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=114) 0 -0.677328 -4.965047 -2.617547 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=114) 0 0.467377 -6.729561 -3.017464 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=114) 0 0.937303 -6.550508 -2.050247 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=114) 0 -0.310095 -7.467560 -2.835350 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=114) 0 1.548342 -7.293313 -3.962983 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=114) 0 1.940123 -6.487518 -4.586084 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=114) 0 2.378259 -7.656555 -3.354664 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=114) 0 1.101719 -8.441440 -4.872554 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=114) 0 0.242929 -8.123453 -5.463117 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=114) 0 1.921153 -8.667528 -5.560471 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=114) 0 0.765641 -9.659347 -4.103573 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=114) 0 -0.097527 -9.550973 -3.579257 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=114) 0 0.628850 -10.468959 -4.707349 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=114) 0 1.489634 -9.908252 -3.432717 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=114) 0 -2.242126 -6.495378 -4.381262 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=114) 0 -3.059825 -6.312732 -3.486179 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=115) 0 -2.243189 -7.614615 -5.100139 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=115) 0 -1.613046 -7.683524 -5.891073 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=115) 0 -3.157209 -8.732597 -4.828230 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=115) 0 -4.177127 -8.356127 -4.854027 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=115) 0 -3.007682 -9.795387 -5.929027 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=115) 0 -2.755080 -9.316120 -6.876101 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=115) 0 -2.189221 -10.467584 -5.669879 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=115) 0 -4.290522 -10.609124 -6.129508 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=115) 0 -4.043105 -11.512338 -6.690419 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=115) 0 -4.692240 -10.917043 -5.161848 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=115) 0 -5.334774 -9.810809 -6.917724 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=115) 0 -5.180741 -9.667254 -8.151261 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=115) 0 -6.341902 -9.353588 -6.332297 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=115) 0 -2.920747 -9.340370 -3.430814 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=115) 0 -1.778734 -9.599471 -3.049734 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=116) 0 -3.984714 -9.590166 -2.665825 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=116) 0 -4.909387 -9.376577 -3.026106 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=116) 0 -3.914380 -10.304859 -1.386677 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=116) 0 -2.914109 -10.205178 -0.961990 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=116) 0 -4.903861 -9.686444 -0.391431 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=116) 0 -4.519861 -8.711002 -0.098487 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=116) 0 -5.846242 -9.519659 -0.901738 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=116) 0 -5.206207 -10.518222 0.847737 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=116) 0 -4.518006 -10.279489 2.050364 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=116) 0 -3.762982 -9.508968 2.089248 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=116) 0 -4.821108 -11.031223 3.203038 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=116) 0 -4.302102 -10.840068 4.126178 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=116) 0 -5.819737 -12.025601 3.155748 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=116) 0 -6.127143 -12.752601 4.258009 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=116) 0 -5.502306 -12.599693 4.978358 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=116) 0 -6.501746 -12.274696 1.951422 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=116) 0 -7.248936 -13.052251 1.922866 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=116) 0 -6.187789 -11.530907 0.800335 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=116) 0 -6.692599 -11.756764 -0.126522 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=116) 0 -4.200299 -11.793280 -1.581535 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=116) 0 -5.118221 -12.170231 -2.315730 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=117) 0 -3.478018 -12.652891 -0.861416 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=117) 0 -2.724163 -12.291546 -0.291835 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=117) 0 -3.889920 -14.040934 -0.607062 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=117) 0 -4.974274 -14.061609 -0.523441 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=117) 0 -3.488643 -14.978085 -1.760903 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=117) 0 -2.403833 -14.977877 -1.863004 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=117) 0 -3.979937 -16.413233 -1.570160 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=117) 0 -5.069033 -16.439332 -1.526826 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=117) 0 -3.627810 -17.038308 -2.387934 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=117) 0 -3.573485 -16.830778 -0.655397 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=117) 0 -4.075105 -14.536477 -2.973877 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=117) 0 -4.564698 -13.715179 -2.761569 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=117) 0 -3.308816 -14.538402 0.720665 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=117) 0 -2.159345 -14.253409 1.054774 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=118) 0 -4.103306 -15.297556 1.471506 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=118) 0 -5.048992 -15.438793 1.126767 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=118) 0 -3.716730 -16.079163 2.646103 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=118) 0 -2.731324 -16.519529 2.487709 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=118) 0 -3.642201 -15.138787 3.860007 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=118) 0 -4.622095 -14.712963 4.052649 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=118) 0 -3.314191 -15.693704 4.738086 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=118) 0 -2.934992 -14.330822 3.669153 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=118) 0 -4.735231 -17.232432 2.808249 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=118) 0 -4.978498 -17.979425 1.854145 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=119) 0 -5.371274 -17.349455 3.977047 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=119) 0 -5.040751 -16.761642 4.726305 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=119) 0 -6.756023 -17.817221 4.092990 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=119) 0 -6.959088 -18.593015 3.356369 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=119) 0 -6.908431 -18.249955 5.078315 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=119) 0 -7.741583 -16.659065 3.867866 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=119) 0 -7.541377 -15.853448 2.955848 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=120) 0 -8.803136 -16.551358 4.676100 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=120) 0 -8.910115 -17.254834 5.402656 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=120) 0 -9.754664 -15.414406 4.673413 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=120) 0 -9.232679 -14.521904 4.323166 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=120) 0 -10.933008 -15.705836 3.723503 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=120) 0 -11.367932 -16.672005 3.969835 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=120) 0 -11.708459 -14.954663 3.873069 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=120) 0 -10.535579 -15.666888 2.243459 L H-H1 57 0.0000 H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=120) 0 -10.074237 -14.702169 2.025502 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=120) 0 -9.826648 -16.463117 2.022316 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=120) 0 -10.292334 -15.018266 6.056292 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=120) 0 -11.117081 -14.111885 6.133239 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=121) 0 -9.861179 -15.672891 7.130781 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=121) 0 -9.138278 -16.375300 7.018132 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=121) 0 -10.245228 -15.324401 8.499877 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=121) 0 -11.318429 -15.150217 8.506644 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=121) 0 -9.939611 -16.504887 9.443182 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=121) 0 -9.977884 -17.441733 8.885321 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=121) 0 -8.942243 -16.391397 9.871456 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=121) 0 -10.992893 -16.567802 10.554256 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=121) 0 -11.005186 -15.614536 11.075445 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=121) 0 -11.967472 -16.730106 10.094927 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=121) 0 -10.769132 -17.661066 11.592426 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=121) 0 -10.174532 -18.717514 11.274152 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=121) 0 -11.221748 -17.470160 12.745899 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=121) 0 -9.568488 -14.021350 8.959120 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=121) 0 -8.565774 -13.597179 8.383099 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=122) 0 -10.074121 -13.377321 10.010222 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=122) 0 -10.948192 -13.707647 10.416669 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=122) 0 -9.532520 -12.108274 10.488818 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=122) 0 -9.656147 -11.380696 9.689411 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=122) 0 -10.362778 -11.648551 11.679489 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=122) 0 -10.299773 -12.378221 12.487240 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=122) 0 -10.000330 -10.683929 12.033405 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=122) 0 -11.390300 -11.553325 11.341960 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=122) 0 -8.033875 -12.149543 10.829489 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=122) 0 -7.329640 -11.192815 10.524651 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=123) 0 -7.509924 -13.245537 11.381238 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=123) 0 -8.147380 -13.966487 11.702147 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=123) 0 -6.063202 -13.414208 11.574069 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=123) 0 -5.663330 -12.445006 11.871895 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=123) 0 -5.750692 -14.353991 12.745647 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=123) 0 -4.705034 -14.212651 13.025044 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=123) 0 -6.358294 -14.070639 13.607003 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=123) 0 -5.973416 -15.829767 12.430097 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=123) 0 -7.136262 -16.293709 12.509932 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=123) 0 -4.982205 -16.557572 12.188323 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=123) 0 -5.311854 -13.796220 10.285711 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=123) 0 -4.140860 -13.457413 10.166415 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=124) 0 -5.964458 -14.382647 9.274638 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=124) 0 -6.958588 -14.545345 9.373497 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=124) 0 -5.362990 -14.550671 7.937989 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=124) 0 -4.376977 -15.002170 8.049989 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=124) 0 -6.217133 -15.453898 7.032155 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=124) 0 -7.142575 -14.940924 6.776017 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=124) 0 -5.671474 -15.600535 6.101469 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=124) 0 -6.551080 -16.830424 7.598378 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=124) 0 -5.732780 -17.402031 8.348528 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=124) 0 -7.608200 -17.380481 7.215032 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=124) 0 -5.202156 -13.196185 7.228107 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=124) 0 -4.253560 -12.975754 6.469507 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=125) 0 -6.143761 -12.282846 7.468389 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=125) 0 -6.940256 -12.593849 8.020292 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=125) 0 -6.132891 -10.888162 7.018608 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=125) 0 -5.857880 -10.837021 5.967372 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=125) 0 -7.565839 -10.317238 7.169250 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=125) 0 -7.944394 -10.590139 8.152346 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=125) 0 -7.584648 -8.783387 7.083972 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=125) 0 -7.085794 -8.351228 7.951099 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=125) 0 -7.077007 -8.457331 6.181756 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=125) 0 -8.608073 -8.415122 7.069046 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=125) 0 -8.505645 -10.942523 6.109944 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=125) 0 -8.296799 -10.504712 5.132631 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=125) 0 -8.317550 -12.014104 6.039072 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=125) 0 -9.997166 -10.777074 6.432718 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=125) 0 -10.281038 -9.726247 6.431193 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=125) 0 -10.584685 -11.301556 5.679710 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=125) 0 -10.218307 -11.211530 7.407546 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=125) 0 -5.067114 -10.102133 7.793160 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=125) 0 -4.200895 -9.459828 7.195816 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=126) 0 -5.089442 -10.184603 9.124854 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=126) 0 -5.832616 -10.728060 9.555661 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=126) 0 -4.233724 -9.375767 9.997351 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=126) 0 -4.193804 -8.373120 9.572542 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=126) 0 -4.859021 -9.222338 11.399055 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=126) 0 -5.130825 -10.200044 11.794553 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=126) 0 -3.912797 -8.541790 12.389962 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=126) 0 -3.554739 -7.604547 11.966652 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=126) 0 -4.431406 -8.338065 13.328092 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=126) 0 -3.071422 -9.198914 12.605978 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=126) 0 -6.108829 -8.332108 11.302933 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=126) 0 -6.576250 -8.235292 12.280755 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=126) 0 -5.830277 -7.345362 10.941683 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=126) 0 -6.836794 -8.757020 10.615441 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=126) 0 -2.783658 -9.862833 10.003183 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=126) 0 -1.907544 -9.021395 9.839232 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=127) 0 -2.482835 -11.167185 10.062875 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=127) 0 -3.228423 -11.850455 10.162609 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=127) 0 -1.095881 -11.663443 9.969899 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=127) 0 -0.517415 -11.282211 10.813678 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=127) 0 -1.062067 -13.202084 9.984109 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=127) 0 -1.773113 -13.585675 9.257539 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=127) 0 -0.070310 -13.534770 9.680192 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=127) 0 -1.343459 -13.850643 11.320799 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=127) 0 -1.431921 -13.212217 12.360431 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=127) 0 -1.412621 -15.156606 11.344270 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=127) 0 -1.708433 -15.618026 12.196248 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=127) 0 -1.367816 -15.676145 10.479397 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=127) 0 -0.401865 -11.192015 8.684368 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=127) 0 0.775771 -10.843052 8.708257 L N-N--0.415700(PDBName=N,ResName=TRP,ResNum=128) 0 -1.133400 -11.152687 7.568334 L H-H-0.271900(PDBName=H,ResName=TRP,ResNum=128) 0 -2.093463 -11.465434 7.617573 L C-CT--0.027500(PDBName=CA,ResName=TRP,ResNum=128) 0 -0.618055 -10.694485 6.279770 L H-H1-0.112300(PDBName=HA,ResName=TRP,ResNum=128) 0 0.312423 -11.221324 6.064138 L C-CT--0.005000(PDBName=CB,ResName=TRP,ResNum=128) 0 -1.644854 -11.067292 5.209641 L H-HC-0.033900(PDBName=HB2,ResName=TRP,ResNum=128) 0 -1.946769 -12.104143 5.357647 L H-HC-0.033900(PDBName=HB3,ResName=TRP,ResNum=128) 0 -2.526640 -10.444125 5.348216 L C-C*--0.141500(PDBName=CG,ResName=TRP,ResNum=128) 0 -1.184888 -10.935138 3.795614 L C-CW--0.163800(PDBName=CD1,ResName=TRP,ResNum=128) 0 -0.683044 -11.936612 3.041691 L H-H4-0.206200(PDBName=HD1,ResName=TRP,ResNum=128) 0 -0.540294 -12.957527 3.375943 L N-NA--0.341800(PDBName=NE1,ResName=TRP,ResNum=128) 0 -0.369491 -11.462220 1.784429 L H-H-0.341200(PDBName=HE1,ResName=TRP,ResNum=128) 0 0.095300 -12.037152 1.084827 L C-CN-0.138000(PDBName=CE2,ResName=TRP,ResNum=128) 0 -0.677287 -10.126333 1.654665 L C-CA--0.260100(PDBName=CZ2,ResName=TRP,ResNum=128) 0 -0.566427 -9.212806 0.597422 L H-HA-0.157200(PDBName=HZ2,ResName=TRP,ResNum=128) 0 -0.171213 -9.528664 -0.358448 L C-CA--0.113400(PDBName=CH2,ResName=TRP,ResNum=128) 0 -0.962662 -7.881241 0.805323 L H-HA-0.141700(PDBName=HH2,ResName=TRP,ResNum=128) 0 -0.872484 -7.162342 0.002204 L C-CA--0.197200(PDBName=CZ3,ResName=TRP,ResNum=128) 0 -1.456736 -7.484796 2.062962 L H-HA-0.144700(PDBName=HZ3,ResName=TRP,ResNum=128) 0 -1.746693 -6.458978 2.231146 L C-CA--0.238700(PDBName=CE3,ResName=TRP,ResNum=128) 0 -1.563787 -8.408657 3.116709 L H-HA-0.170000(PDBName=HE3,ResName=TRP,ResNum=128) 0 -1.952245 -8.092158 4.072098 L C-CB-0.124300(PDBName=CD2,ResName=TRP,ResNum=128) 0 -1.181815 -9.754701 2.937926 L C-C-0.597300(PDBName=C,ResName=TRP,ResNum=128) 0 -0.315826 -9.186774 6.287549 L O-O--0.567900(PDBName=O,ResName=TRP,ResNum=128) 0 0.718022 -8.759882 5.772990 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=129) 0 -1.169630 -8.378181 6.926450 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=129) 0 -2.005172 -8.795504 7.323079 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=129) 0 -0.956494 -6.937441 7.120752 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=129) 0 -0.673419 -6.494573 6.165485 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=129) 0 -2.280761 -6.306020 7.595736 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=129) 0 -2.667760 -6.893187 8.428523 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=129) 0 -2.087012 -5.300072 7.969949 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=129) 0 -3.350481 -6.226588 6.487159 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=129) 0 -3.362943 -7.152814 5.914200 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=129) 0 -4.743526 -6.025574 7.085308 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=129) 0 -4.790844 -5.099036 7.650939 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=129) 0 -5.486540 -5.999881 6.289798 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=129) 0 -4.979011 -6.860021 7.744747 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=129) 0 -3.053239 -5.065602 5.534812 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=129) 0 -3.026886 -4.125469 6.083348 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=129) 0 -2.098585 -5.221185 5.034321 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=129) 0 -3.827990 -5.004200 4.775626 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=129) 0 0.200495 -6.648308 8.096650 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=129) 0 1.021431 -5.763388 7.832914 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=130) 0 0.345696 -7.445071 9.163540 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=130) 0 -0.376301 -8.148002 9.305264 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=130) 0 1.429905 -7.391218 10.171748 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=130) 0 1.567620 -6.352147 10.476005 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=130) 0 1.023696 -8.201994 11.426930 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=130) 0 0.937854 -9.247295 11.124720 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=130) 0 1.820613 -8.150029 12.170519 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=130) 0 -0.302833 -7.804041 12.109245 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=130) 0 -0.979636 -7.360092 11.382529 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=130) 0 -0.759155 -8.723608 12.477381 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=130) 0 -0.206782 -6.831310 13.290753 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=130) 0 0.455945 -7.238126 14.056702 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=130) 0 0.174211 -5.871298 12.940823 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=130) 0 -1.627176 -6.672443 13.859180 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=130) 0 -2.283119 -6.298883 13.070290 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=130) 0 -1.994452 -7.656976 14.164484 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=130) 0 -1.704883 -5.759675 15.016778 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=130) 0 -1.139744 -6.096649 15.789818 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=130) 0 -1.368566 -4.834907 14.787436 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=130) 0 -2.671452 -5.703131 15.352738 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=130) 0 2.800457 -7.855338 9.623024 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=130) 0 3.697501 -8.180075 10.398112 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=131) 0 2.962015 -7.903664 8.291870 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=131) 0 2.128903 -7.746024 7.744967 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=131) 0 4.210389 -8.194432 7.552544 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=131) 0 5.035339 -8.265754 8.265029 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=131) 0 4.079645 -9.552222 6.835738 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=131) 0 3.177349 -9.556901 6.225861 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=131) 0 4.938611 -9.718735 6.184208 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=131) 0 4.028265 -10.689985 7.856355 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=131) 0 4.998267 -10.744460 8.346226 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=131) 0 3.268086 -10.472867 8.602774 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=131) 0 3.730756 -12.056320 7.238023 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=131) 0 2.989038 -11.949075 6.445765 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=131) 0 4.649965 -12.456289 6.808024 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=131) 0 3.172911 -13.029249 8.285230 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=131) 0 2.166790 -12.702987 8.559528 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=131) 0 3.092402 -14.022559 7.833665 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=131) 0 4.011619 -13.100006 9.504029 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=131) 0 4.108196 -12.197944 9.963835 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=131) 0 3.623033 -13.757949 10.173280 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=131) 0 4.951785 -13.421723 9.290466 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=131) 0 4.616844 -7.088164 6.568119 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=131) 0 5.628055 -7.231474 5.879965 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=132) 0 3.846183 -5.997178 6.486578 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=132) 0 3.034957 -5.966540 7.085870 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=132) 0 4.116337 -4.862443 5.579196 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=132) 0 5.196958 -4.765636 5.455684 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=132) 0 3.517523 -5.171606 4.194707 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=132) 0 3.780865 -4.365519 3.510084 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=132) 0 3.980204 -6.083332 3.818320 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=132) 0 1.988003 -5.344821 4.187745 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=132) 0 1.685193 -6.103832 4.909731 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=132) 0 1.518280 -4.398470 4.455762 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=132) 0 1.489686 -5.756471 2.801098 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=132) 0 0.401875 -5.699506 2.795779 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=132) 0 1.864614 -5.039155 2.070329 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=132) 0 1.900552 -7.129706 2.451150 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=132) 0 1.651403 -7.881616 3.080052 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=132) 0 2.546840 -7.515074 1.368706 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=132) 0 2.922515 -6.699361 0.436830 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=132) 0 2.790987 -5.690313 0.512356 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=132) 0 3.474306 -7.045286 -0.330841 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=132) 0 2.840039 -8.768528 1.208616 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=132) 0 2.595151 -9.404881 1.960215 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=132) 0 3.336087 -9.091550 0.391566 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=132) 0 3.654128 -3.493914 6.081389 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=132) 0 4.163336 -2.474955 5.629904 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=133) 0 2.664547 -3.445180 6.969409 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=133) 0 2.291504 -4.310094 7.325106 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=133) 0 2.129492 -2.183169 7.509245 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=133) 0 2.081218 -1.456336 6.697233 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=133) 0 0.704700 -2.356817 8.038263 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=133) 0 0.366198 -1.409351 8.457065 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=133) 0 -0.256500 -2.774316 6.924844 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=133) 0 -0.015094 -3.765982 6.547150 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=133) 0 -1.276730 -2.775336 7.303740 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=133) 0 -0.178824 -2.064532 6.105400 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=133) 0 0.659338 -3.344960 9.035315 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=133) 0 0.831066 -4.203325 8.619868 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=133) 0 3.052277 -1.578731 8.570250 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=133) 0 3.825481 -2.290273 9.212216 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=134) 0 2.995645 -0.256490 8.734506 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=134) 0 2.289128 0.254291 8.225903 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=134) 0 4.139099 0.532840 9.203098 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=134) 0 3.782273 1.404199 9.752040 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=134) 0 4.761760 -0.065012 9.869026 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=134) 0 4.987919 1.014321 8.013363 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=134) 0 4.561407 0.854052 6.862481 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=135) 0 6.163101 1.627520 8.242948 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=135) 0 6.835656 1.786183 9.524068 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=135) 0 6.808431 0.866130 10.108859 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=135) 0 6.373416 2.604727 10.077818 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=135) 0 8.284602 2.142721 9.185872 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=135) 0 8.868461 1.233204 9.041485 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=135) 0 8.738615 2.767930 9.954776 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=135) 0 8.154605 2.884587 7.856294 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=135) 0 9.070302 2.826784 7.266365 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=135) 0 7.897516 3.922963 8.052247 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=135) 0 6.972142 2.196841 7.168204 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=135) 0 6.386894 2.944085 6.635505 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=135) 0 7.425465 1.120202 6.178212 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=135) 0 7.903468 0.060570 6.585566 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=136) 0 7.295505 1.395981 4.876087 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=136) 0 6.862624 2.276083 4.610031 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=136) 0 7.659571 0.433848 3.829045 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=136) 0 7.104477 -0.492364 3.992305 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=136) 0 7.278339 0.994655 2.458342 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=136) 0 7.769617 1.953615 2.300172 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=136) 0 7.595163 0.295436 1.682530 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=136) 0 6.203002 1.116957 2.379730 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=136) 0 9.153147 0.079691 3.850190 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=136) 0 9.511321 -1.055999 3.546320 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=137) 0 10.014749 1.027434 4.236897 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=137) 0 9.646732 1.927703 4.495668 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=137) 0 11.396838 0.730514 4.580148 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=137) 0 11.730666 -0.102214 3.970257 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=137) 0 12.300188 1.914477 4.227721 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=137) 0 12.123342 2.743957 4.909173 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=137) 0 13.334608 1.593660 4.323113 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=137) 0 12.126771 2.234109 3.200719 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=137) 0 11.481803 0.309003 6.055485 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=137) 0 11.458612 1.153304 6.954971 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=138) 0 11.574721 -0.996915 6.298629 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=138) 0 11.549821 -1.636849 5.508129 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=138) 0 11.728359 -1.587518 7.634330 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=138) 0 10.868670 -1.314861 8.241103 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=138) 0 11.804609 -3.116266 7.526233 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=138) 0 12.725298 -3.382706 7.011513 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=138) 0 11.765239 -3.822648 8.879905 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=138) 0 10.847532 -3.564856 9.407695 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=138) 0 11.798040 -4.901778 8.727961 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=138) 0 12.626932 -3.533926 9.482054 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=138) 0 10.711589 -3.605652 6.783046 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=138) 0 10.989976 -4.466441 6.408848 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=138) 0 13.003875 -1.072009 8.296379 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=138) 0 14.070397 -1.109120 7.684740 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=139) 0 12.934509 -0.595258 9.537866 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=139) 0 12.041607 -0.575904 10.015981 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=139) 0 14.117661 -0.020155 10.200621 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=139) 0 14.666262 0.556367 9.456944 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=139) 0 13.731641 0.969648 11.303382 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=139) 0 13.287279 0.429507 12.138519 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=139) 0 14.942958 1.765105 11.786835 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=139) 0 15.409501 2.284486 10.949023 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=139) 0 14.625837 2.497520 12.525089 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=139) 0 15.669534 1.101196 12.254061 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=139) 0 12.791855 1.900261 10.801976 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=139) 0 11.962673 1.742527 11.295343 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=139) 0 15.053692 -1.118670 10.717650 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=139) 0 14.632755 -2.015949 11.448533 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=140) 0 16.330509 -1.046093 10.334851 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=140) 0 16.580468 -0.272551 9.726550 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=140) 0 17.365121 -2.058845 10.554240 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=140) 0 16.925090 -2.944791 11.009578 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=140) 0 17.963603 -2.460450 9.191842 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=140) 0 18.362010 -1.562110 8.723626 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=140) 0 18.801483 -3.137310 9.369773 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=140) 0 17.006137 -3.120985 8.187464 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=140) 0 16.136870 -2.491761 8.026781 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=140) 0 17.743403 -3.266515 6.856493 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=140) 0 18.694998 -3.768588 7.013886 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=140) 0 17.146025 -3.839213 6.150560 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=140) 0 17.931008 -2.277128 6.441247 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=140) 0 16.544809 -4.496165 8.662407 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=140) 0 15.941323 -4.392202 9.563960 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=140) 0 15.934108 -4.970580 7.895954 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=140) 0 17.409723 -5.119456 8.870504 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=140) 0 18.483192 -1.510137 11.461752 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=140) 0 19.228222 -0.619078 11.034635 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=141) 0 18.661195 -2.025239 12.689829 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=141) 0 17.738733 -2.893048 13.409645 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=141) 0 17.675678 -3.879684 12.948283 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=141) 0 16.754677 -2.425699 13.437970 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=141) 0 18.289442 -3.009793 14.832463 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=141) 0 18.917158 -3.896393 14.914936 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=141) 0 17.490947 -3.033766 15.574808 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=141) 0 19.167456 -1.772962 14.983266 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=141) 0 19.942253 -1.922516 15.735767 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=141) 0 18.547154 -0.912392 15.239686 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=141) 0 19.739766 -1.590660 13.575342 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=141) 0 19.953635 -0.534725 13.420765 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=141) 0 21.051732 -2.368922 13.371109 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=141) 0 22.093117 -1.922067 13.858405 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=142) 0 21.019764 -3.514166 12.678636 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=142) 0 20.132083 -3.821171 12.309161 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=142) 0 22.125139 -4.476890 12.601479 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=142) 0 23.065875 -3.937500 12.717959 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=142) 0 22.003972 -5.451572 13.779269 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=142) 0 22.958340 -5.965476 13.903755 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=142) 0 21.802473 -4.903378 14.701620 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=142) 0 20.909452 -6.487612 13.538088 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=142) 0 21.234967 -7.560455 12.984066 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=142) 0 19.737443 -6.253059 13.903671 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=142) 0 22.196804 -5.253526 11.264864 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=142) 0 21.243444 -5.296707 10.480876 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=143) 0 23.346427 -5.888896 11.012638 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=143) 0 24.090088 -5.839387 11.703892 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=143) 0 23.643280 -6.608415 9.772199 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=143) 0 23.394939 -5.972395 8.923829 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=143) 0 24.715023 -6.803612 9.748929 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=143) 0 22.928685 -7.953507 9.587480 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=143) 0 22.770699 -8.384138 8.441530 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=144) 0 22.471521 -8.612092 10.657410 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=144) 0 22.527993 -8.167591 11.567022 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=144) 0 21.733738 -9.875373 10.571834 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=144) 0 22.200094 -10.500903 9.815467 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=144) 0 21.832014 -10.648425 11.889717 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=144) 0 21.319503 -10.115654 12.689525 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=144) 0 21.367243 -11.627984 11.770303 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=144) 0 22.878231 -10.792099 12.153328 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=144) 0 20.275479 -9.626167 10.166811 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=144) 0 19.728984 -10.344019 9.324957 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=145) 0 19.655337 -8.570163 10.702041 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=145) 0 20.136698 -8.044556 11.430567 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=145) 0 18.351131 -8.104022 10.236053 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=145) 0 17.629488 -8.916608 10.337058 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=145) 0 17.899751 -6.944071 11.131787 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=145) 0 18.605179 -6.114328 11.065917 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=145) 0 16.910919 -6.604155 10.823323 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=145) 0 17.842632 -7.278717 12.168060 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=145) 0 18.406981 -7.711423 8.745653 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=145) 0 17.540229 -8.112673 7.967298 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=146) 0 19.466683 -7.005831 8.327346 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=146) 0 20.127113 -6.678700 9.022978 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=146) 0 19.668052 -6.595478 6.936993 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=146) 0 18.821534 -5.977453 6.637851 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=146) 0 20.941613 -5.743698 6.863711 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=146) 0 21.808224 -6.333011 7.157562 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=146) 0 21.095108 -5.396116 5.842901 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=146) 0 20.849328 -4.883689 7.527390 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=146) 0 19.714496 -7.781023 5.954416 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=146) 0 18.962460 -7.799799 4.979811 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=147) 0 20.527779 -8.808937 6.219527 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=147) 0 21.132379 -8.759015 7.031308 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=147) 0 20.635587 -9.958747 5.305670 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=147) 0 20.811244 -9.572797 4.300804 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=147) 0 21.836082 -10.842689 5.657707 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=147) 0 21.909346 -11.634095 4.910627 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=147) 0 22.744123 -10.242907 5.614678 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=147) 0 21.726401 -11.473572 7.046493 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=147) 0 21.956450 -10.711195 7.780811 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=147) 0 20.716632 -11.834541 7.230949 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=147) 0 22.678916 -12.645905 7.206199 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=147) 0 22.197350 -13.800833 7.192677 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=147) 0 23.899102 -12.417292 7.365784 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=147) 0 19.362189 -10.816194 5.231688 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=147) 0 19.130555 -11.469878 4.215104 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=148) 0 18.528332 -10.824608 6.278685 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=148) 0 18.790316 -10.299936 7.106132 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=148) 0 17.265179 -11.572894 6.286593 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=148) 0 17.390510 -12.460069 5.666850 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=148) 0 16.939386 -12.064338 7.693335 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=148) 0 17.838561 -12.476279 8.152869 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=148) 0 16.569954 -11.235954 8.300101 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=148) 0 15.962687 -13.083963 7.600520 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=148) 0 16.439770 -13.946367 7.591564 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=148) 0 16.107238 -10.764732 5.693477 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=148) 0 15.137020 -11.342554 5.193140 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=149) 0 16.212143 -9.432355 5.661180 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=149) 0 16.973301 -8.989629 6.168016 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=149) 0 15.380517 -8.591872 4.800268 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=149) 0 14.339329 -8.888122 4.931384 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=149) 0 15.505980 -7.127200 5.248659 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=149) 0 15.300904 -7.103657 6.320289 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=149) 0 16.524362 -6.766415 5.102651 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=149) 0 14.510339 -6.194427 4.530649 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=149) 0 13.601242 -6.745177 4.288194 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=149) 0 14.132342 -5.047487 5.459092 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=149) 0 14.999541 -4.433270 5.681285 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=149) 0 13.364922 -4.442317 4.982257 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=149) 0 13.720101 -5.444556 6.386241 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=149) 0 15.086142 -5.586435 3.248588 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=149) 0 15.291243 -6.359418 2.512782 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=149) 0 14.361982 -4.898563 2.813653 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=149) 0 16.003686 -5.041398 3.465819 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=149) 0 15.741203 -8.828679 3.327840 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=149) 0 14.850385 -9.130144 2.532947 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=150) 0 17.035591 -8.824779 2.987486 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=150) 0 17.713517 -8.544295 3.691899 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=150) 0 17.531999 -9.181905 1.643460 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=150) 0 17.072865 -8.508861 0.927034 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=150) 0 19.061246 -8.988555 1.558725 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=150) 0 19.531353 -9.463199 2.417891 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=150) 0 19.684300 -9.584601 0.290598 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=150) 0 19.139017 -9.242146 -0.588166 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=150) 0 20.729776 -9.285832 0.209999 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=150) 0 19.647308 -10.673206 0.330320 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=150) 0 19.393439 -7.492286 1.581442 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=150) 0 19.003107 -7.036512 2.487298 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=150) 0 20.474428 -7.348052 1.564590 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=150) 0 18.950555 -6.995568 0.718981 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=150) 0 17.112702 -10.595836 1.226237 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=150) 0 16.816260 -10.830448 0.057425 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=151) 0 17.008427 -11.534422 2.167090 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=151) 0 17.393223 -11.332071 3.082468 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=151) 0 16.540544 -12.895552 1.890036 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=151) 0 17.084902 -13.256968 1.017636 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=151) 0 16.872021 -13.786277 3.098611 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=151) 0 17.814346 -13.465649 3.524406 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=151) 0 16.111334 -13.653834 3.865875 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=151) 0 16.998968 -15.276621 2.766292 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=151) 0 17.231988 -15.817657 3.683354 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=151) 0 16.046010 -15.648874 2.387855 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=151) 0 18.109898 -15.536077 1.747219 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=151) 0 19.266875 -15.117612 1.983309 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=151) 0 17.816229 -16.123744 0.678235 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=151) 0 15.038179 -12.986384 1.569741 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=151) 0 14.612227 -13.947618 0.927010 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=152) 0 14.219892 -12.020002 2.001144 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=152) 0 14.640467 -11.219734 2.458661 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=152) 0 12.748915 -12.148517 2.020905 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=152) 0 12.540462 -13.159029 2.364796 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=152) 0 12.136583 -11.235915 3.087038 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=152) 0 11.066820 -11.438892 3.159556 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=152) 0 12.589033 -11.472870 4.049551 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=152) 0 12.323478 -9.858621 2.818727 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=152) 0 13.261890 -9.674219 2.603941 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=152) 0 12.042321 -12.022823 0.654955 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=152) 0 10.823592 -12.195053 0.561136 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=153) 0 12.801425 -11.779404 -0.413181 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=153) 0 13.796039 -11.670047 -0.261166 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=153) 0 12.361297 -11.729634 -1.813845 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=153) 0 11.617091 -12.499390 -2.005330 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=153) 0 11.738985 -10.352073 -2.057311 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=153) 0 10.776807 -10.297673 -1.545738 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=153) 0 12.408869 -9.619491 -1.612631 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=153) 0 11.570873 -9.987395 -3.413484 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=153) 0 12.114339 -9.175105 -3.508900 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=153) 0 13.571464 -11.968007 -2.723688 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=153) 0 14.707974 -11.725250 -2.314662 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=154) 0 13.371843 -12.400500 -3.970129 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=154) 0 12.424013 -12.594625 -4.278158 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=154) 0 14.468396 -12.567763 -4.949471 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=154) 0 15.248575 -13.175277 -4.496625 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=154) 0 13.960918 -13.310130 -6.187858 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=154) 0 13.152303 -12.738754 -6.643059 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=154) 0 14.769134 -13.397049 -6.915556 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=154) 0 13.481242 -14.717754 -5.828736 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=154) 0 14.340264 -15.315287 -5.520665 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=154) 0 12.775059 -14.684529 -4.997610 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=154) 0 12.786816 -15.354928 -7.022272 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=154) 0 13.419636 -16.168208 -7.734781 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=154) 0 11.585893 -15.066945 -7.242013 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=154) 0 15.125162 -11.239126 -5.367289 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=154) 0 16.175199 -11.239931 -6.009527 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=155) 0 14.505509 -10.126310 -4.965615 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=155) 0 13.632310 -10.274634 -4.480937 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=155) 0 14.924766 -8.728249 -5.108292 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=155) 0 15.996200 -8.672306 -5.291371 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=155) 0 14.163346 -8.083123 -6.280795 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=155) 0 13.093903 -8.214025 -6.113404 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=155) 0 14.433771 -6.580028 -6.379953 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=155) 0 15.497605 -6.396608 -6.532045 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=155) 0 13.847728 -6.180911 -7.200815 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=155) 0 14.104410 -6.065422 -5.479049 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=155) 0 14.515513 -8.732550 -7.627117 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=155) 0 14.290101 -9.797806 -7.602657 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=155) 0 13.905296 -8.297488 -8.416666 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=155) 0 15.572392 -8.597297 -7.850264 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=155) 0 14.583612 -7.982404 -3.812216 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=155) 0 13.465421 -8.129338 -3.318519 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=156) 0 15.490430 -7.156080 -3.289750 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=156) 0 16.380368 -7.066375 -3.772977 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=156) 0 15.308057 -6.322117 -2.093467 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=156) 0 14.257826 -6.062713 -1.974222 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=156) 0 15.737609 -7.141015 -0.873321 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=156) 0 16.788770 -7.411890 -0.973326 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=156) 0 15.594928 -6.555438 0.035415 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=156) 0 15.135778 -8.048605 -0.804179 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=156) 0 16.111439 -5.008192 -2.195545 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=156) 0 16.993858 -4.885499 -3.043610 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=157) 0 15.853999 -4.018179 -1.334447 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=157) 0 15.101904 -4.140773 -0.658273 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=157) 0 16.616487 -2.749046 -1.308672 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=157) 0 17.589637 -2.913331 -1.767130 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=157) 0 15.898043 -1.635205 -2.108413 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=157) 0 14.995017 -1.343104 -1.573392 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=157) 0 16.793120 -0.403035 -2.279968 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=157) 0 17.695803 -0.670053 -2.829060 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=157) 0 16.256362 0.369159 -2.831094 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=157) 0 17.072329 -0.001766 -1.308785 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=157) 0 15.501944 -2.048630 -3.532711 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=157) 0 14.795307 -2.871018 -3.492261 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=157) 0 15.016574 -1.216807 -4.043512 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=157) 0 16.381208 -2.361176 -4.093865 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=157) 0 16.865839 -2.292245 0.131318 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=157) 0 15.968672 -2.376151 0.964180 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=158) 0 18.056027 -1.766146 0.439738 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=158) 0 18.765293 -1.715159 -0.286796 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=158) 0 18.344921 -1.110191 1.727135 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=158) 0 17.405978 -0.994236 2.254720 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=158) 0 19.247740 -1.972412 2.643425 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=158) 0 20.187719 -2.161525 2.127156 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=158) 0 19.554678 -1.223760 3.959690 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=158) 0 18.631684 -1.001100 4.494339 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=158) 0 20.211714 -1.811545 4.597486 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=158) 0 20.081700 -0.290650 3.761993 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=158) 0 18.564774 -3.328432 2.946110 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=158) 0 17.633158 -3.146295 3.483098 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=158) 0 18.319906 -3.829990 2.010204 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=158) 0 19.415743 -4.311136 3.756890 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=158) 0 18.856867 -5.235705 3.891839 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=158) 0 20.345656 -4.524758 3.228590 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=158) 0 19.637346 -3.907979 4.741551 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=158) 0 18.898652 0.301514 1.501860 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=158) 0 19.805345 0.500062 0.694472 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=159) 0 18.355304 1.278744 2.227698 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=159) 0 17.589048 1.028322 2.844461 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=159) 0 18.858747 2.648539 2.316888 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=159) 0 19.422774 2.896476 1.419388 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=159) 0 18.026751 3.345060 2.394669 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=159) 0 19.753079 2.834284 3.539920 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=159) 0 19.412516 2.402922 4.639916 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=160) 0 20.888439 3.490400 3.344563 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=160) 0 21.056441 3.883617 2.424710 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=160) 0 21.957374 3.677999 4.317739 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=160) 0 21.703084 3.200682 5.264503 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=160) 0 23.239362 3.027596 3.773353 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=160) 0 23.497704 3.483292 2.815814 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=160) 0 24.058901 3.237781 4.457410 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=160) 0 23.141709 1.527316 3.583191 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=160) 0 22.598700 1.000508 2.397431 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=160) 0 22.241776 1.664145 1.623278 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=160) 0 22.502461 -0.389145 2.223724 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=160) 0 22.049597 -0.781626 1.329896 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=160) 0 22.969544 -1.261927 3.218762 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=160) 0 22.894287 -2.331607 3.080753 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=160) 0 23.520644 -0.737016 4.398826 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=160) 0 23.881775 -1.402715 5.163354 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=160) 0 23.598672 0.653605 4.586138 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=160) 0 24.014148 1.051556 5.498922 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=160) 0 22.116882 5.177454 4.557955 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=160) 0 22.783175 5.869149 3.788167 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=161) 0 21.461776 5.681105 5.603632 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=161) 0 20.975967 5.040821 6.224754 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=161) 0 21.387671 7.105843 5.914889 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=161) 0 22.185257 7.632662 5.394808 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=161) 0 20.060070 7.687090 5.420738 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=161) 0 19.230568 7.185480 5.922249 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=161) 0 20.035942 8.739737 5.702753 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=161) 0 19.880862 7.585822 3.921232 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=161) 0 20.636921 8.414860 3.072863 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=161) 0 21.316457 9.140805 3.494035 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=161) 0 20.545313 8.270056 1.679636 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=161) 0 21.162506 8.878513 1.032538 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=161) 0 19.672433 7.313836 1.135815 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=161) 0 19.611658 7.192901 0.067906 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=161) 0 18.900654 6.496359 1.979533 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=161) 0 18.240780 5.755274 1.556862 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=161) 0 19.010872 6.624975 3.373760 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=161) 0 18.440072 5.978171 4.023709 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=161) 0 21.564077 7.333142 7.411968 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=161) 0 20.633283 7.151706 8.196818 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=162) 0 22.767575 7.751181 7.811574 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=162) 0 23.469971 7.920287 7.090551 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=162) 0 23.099571 8.081053 9.203722 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=162) 0 22.904438 7.214205 9.833719 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=162) 0 24.600717 8.388418 9.266098 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=162) 0 25.153605 7.509995 8.926987 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=162) 0 24.825665 9.218766 8.593547 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=162) 0 25.061898 8.751883 10.681822 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=162) 0 24.576972 9.682199 10.970977 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=162) 0 24.761810 7.973061 11.384786 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=162) 0 26.588542 8.913048 10.728643 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=162) 0 27.031955 7.939454 10.936909 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=162) 0 26.963797 9.246462 9.761318 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=162) 0 27.037966 9.916989 11.794052 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=162) 0 26.657935 9.607404 12.772438 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=162) 0 28.130402 9.908113 11.840085 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=162) 0 26.564964 11.284405 11.472653 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=162) 0 25.556172 11.358404 11.576166 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=162) 0 26.962241 11.974671 12.103658 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=162) 0 26.779676 11.548101 10.513174 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=162) 0 22.218947 9.217406 9.742094 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=162) 0 21.862903 9.209005 10.919491 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=163) 0 21.804458 10.143156 8.878905 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=163) 0 22.173223 10.109414 7.934809 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=163) 0 20.765936 11.134425 9.142334 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=163) 0 20.551169 11.147734 10.211096 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=163) 0 21.283275 12.526201 8.763965 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=163) 0 22.324467 12.618568 9.079663 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=163) 0 21.244621 12.679082 7.685381 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=163) 0 20.456241 13.580750 9.484011 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=163) 0 19.230545 13.670916 9.260522 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=163) 0 21.017392 14.215301 10.406375 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=163) 0 19.464312 10.770971 8.409098 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=163) 0 19.299595 11.035914 7.216486 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=164) 0 18.522599 10.150800 9.119212 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=164) 0 18.691669 9.986881 10.101395 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=164) 0 17.270529 9.645122 8.531856 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=164) 0 17.526249 9.275321 7.543283 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=164) 0 16.775579 8.408992 9.307940 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=164) 0 17.567275 7.659569 9.265996 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=164) 0 16.510945 8.715250 10.778189 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=164) 0 15.777864 9.517099 10.865993 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=164) 0 16.137821 7.822323 11.275652 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=164) 0 17.439670 9.002980 11.262635 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=164) 0 15.523596 7.772316 8.702338 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=164) 0 15.659797 7.651621 7.630275 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=164) 0 15.353532 6.795408 9.156542 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=164) 0 14.655195 8.401475 8.885793 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=164) 0 16.208292 10.738304 8.302525 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=164) 0 15.288123 10.545460 7.507939 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=165) 0 16.350062 11.924269 8.901907 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=165) 0 17.098083 12.027088 9.579268 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=165) 0 15.550071 13.119589 8.569607 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=165) 0 14.540554 12.803665 8.310168 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=165) 0 15.439992 14.058426 9.788398 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=165) 0 16.326227 13.980375 10.415209 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=165) 0 15.388005 15.090460 9.439404 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=165) 0 14.180012 13.814515 10.628307 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=165) 0 14.131663 14.580007 11.405561 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=165) 0 13.304229 13.940067 9.989971 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=165) 0 14.134915 12.431386 11.279923 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=165) 0 14.505938 12.309117 12.471505 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=165) 0 13.656187 11.471448 10.632824 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=165) 0 16.059903 13.884128 7.331174 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=165) 0 15.352015 14.765483 6.825492 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=166) 0 17.250145 13.560466 6.815373 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=166) 0 17.807698 12.871841 7.306659 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=166) 0 17.816526 14.187112 5.612077 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=166) 0 17.829674 15.263929 5.780899 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=166) 0 19.269325 13.748647 5.394174 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=166) 0 19.710627 14.368894 4.612808 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=166) 0 19.836162 13.900909 6.313294 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=166) 0 19.355815 12.392294 4.995745 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=166) 0 19.256106 11.843224 5.809051 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=166) 0 16.991203 13.932003 4.342725 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=166) 0 16.250952 12.948823 4.244664 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=167) 0 17.140949 14.823468 3.355227 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=167) 0 17.700903 15.649066 3.531710 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=167) 0 16.438088 14.800279 2.064234 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=167) 0 15.410750 15.139293 2.200146 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=167) 0 17.152288 15.742178 1.076759 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=167) 0 18.215560 15.497617 1.036948 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=167) 0 16.734825 15.575803 0.081789 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=167) 0 17.000189 17.218690 1.426778 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=167) 0 17.246500 17.594855 2.596511 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=167) 0 16.595134 17.996586 0.537786 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=167) 0 16.400563 13.400580 1.447282 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=167) 0 15.327481 12.866668 1.172567 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=168) 0 17.579768 12.799500 1.288529 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=168) 0 18.403165 13.328451 1.536592 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=168) 0 17.802655 11.509980 0.637203 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=168) 0 17.377681 11.534553 -0.365441 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=168) 0 19.308034 11.303782 0.515161 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=168) 0 19.769896 11.331235 1.504176 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=168) 0 19.510155 10.334349 0.061835 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=168) 0 19.845783 12.335471 -0.291957 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=168) 0 20.801081 12.122302 -0.394842 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=168) 0 17.188390 10.329622 1.386754 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=168) 0 16.674428 9.406062 0.758780 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=169) 0 17.171902 10.370146 2.719265 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=169) 0 17.550723 11.181373 3.191161 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=169) 0 16.559961 9.326039 3.533333 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=169) 0 16.918053 8.352136 3.198806 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=169) 0 17.005017 9.549803 4.972934 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=169) 0 16.626380 10.505048 5.335119 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=169) 0 16.623394 8.741696 5.595481 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=169) 0 18.089534 9.574377 5.025106 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=169) 0 15.029193 9.336385 3.418867 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=169) 0 14.396777 8.289219 3.260647 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=170) 0 14.428126 10.531050 3.429048 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=170) 0 15.010325 11.353035 3.579362 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=170) 0 12.982203 10.714110 3.249593 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=170) 0 12.461454 9.942292 3.811980 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=170) 0 12.584929 12.076273 3.833743 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=170) 0 13.237293 12.835771 3.402711 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=170) 0 11.565189 12.314333 3.542922 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=170) 0 12.680700 12.136935 5.373763 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=170) 0 13.654560 11.771344 5.699173 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=170) 0 12.600857 13.180515 5.674304 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=170) 0 11.560904 11.362965 6.094003 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=170) 0 10.602147 11.770103 5.767957 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=170) 0 11.587042 10.307014 5.831781 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=170) 0 11.658080 11.529183 7.618456 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=170) 0 11.924826 12.567632 7.834598 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=170) 0 10.677683 11.350092 8.068636 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=170) 0 12.650667 10.620333 8.237780 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=170) 0 13.524094 10.583452 7.721089 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=170) 0 12.907352 10.954482 9.167903 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=170) 0 12.301198 9.676651 8.381053 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=170) 0 12.543388 10.515130 1.790881 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=170) 0 11.462582 9.970554 1.570631 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=171) 0 13.399225 10.822300 0.812218 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=171) 0 14.231593 11.344780 1.063732 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=171) 0 13.240738 10.420273 -0.595652 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=171) 0 12.288005 10.786521 -0.978994 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=171) 0 14.387294 11.007344 -1.432315 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=171) 0 15.322912 10.855632 -0.901089 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=171) 0 14.464847 10.459659 -2.371269 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=171) 0 14.237560 12.501595 -1.740086 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=171) 0 13.858489 13.028544 -0.872393 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=171) 0 15.224954 12.902653 -1.964163 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=171) 0 13.320368 12.795001 -2.916820 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=171) 0 12.460886 12.013984 -3.305090 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=171) 0 13.504008 13.910565 -3.568593 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=171) 0 12.867831 14.142235 -4.320578 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=171) 0 14.202534 14.573587 -3.241216 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=171) 0 13.261040 8.896218 -0.763346 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=171) 0 12.444364 8.337142 -1.493801 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=172) 0 14.168529 8.210037 -0.064917 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=172) 0 14.876884 8.720268 0.453047 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=172) 0 14.252956 6.753546 -0.081624 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=172) 0 14.248498 6.422963 -1.113766 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=172) 0 15.576361 6.318323 0.550996 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=172) 0 16.400809 6.632084 -0.090797 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=172) 0 15.700287 6.811859 1.514722 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=172) 0 15.643616 4.824891 0.753718 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=172) 0 15.838104 3.971644 -0.345258 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=172) 0 15.990579 4.382289 -1.330014 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=172) 0 15.801651 2.581030 -0.168226 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=172) 0 15.929697 1.929874 -1.016628 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=172) 0 15.565561 2.041375 1.105874 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=172) 0 15.533432 0.968932 1.244329 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=172) 0 15.353185 2.895675 2.199096 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=172) 0 15.153630 2.481332 3.171493 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=172) 0 15.396957 4.286379 2.026868 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=172) 0 15.213942 4.942144 2.864206 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=172) 0 13.034042 6.086513 0.567152 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=172) 0 12.473483 5.154745 -0.011506 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=173) 0 12.548501 6.617582 1.693689 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=173) 0 13.087598 7.342302 2.157308 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=173) 0 11.242306 6.243858 2.243567 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=173) 0 11.249055 5.174793 2.458976 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=173) 0 10.996988 7.020897 3.551004 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=173) 0 11.350156 8.042398 3.425021 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=173) 0 9.925413 7.070496 3.752086 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=173) 0 11.700124 6.369719 4.757172 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=173) 0 12.667310 5.974667 4.447794 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=173) 0 11.934973 7.385397 5.874243 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=173) 0 10.988062 7.827772 6.183192 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=173) 0 12.398543 6.889045 6.727629 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=173) 0 12.613824 8.159077 5.517895 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=173) 0 10.850294 5.227041 5.318736 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=173) 0 10.635247 4.500599 4.537899 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=173) 0 11.389934 4.733909 6.127947 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=173) 0 9.909015 5.616634 5.706346 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=173) 0 10.124807 6.469638 1.212116 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=173) 0 9.324860 5.568668 0.986981 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=174) 0 10.114942 7.598613 0.498814 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=174) 0 10.782429 8.325628 0.730114 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=174) 0 9.143641 7.859551 -0.569972 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=174) 0 8.154674 7.694865 -0.142940 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=174) 0 9.247987 9.333213 -1.015185 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=174) 0 10.229763 9.732000 -0.766566 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=174) 0 9.141886 9.404530 -2.094117 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=174) 0 8.172416 10.216590 -0.367707 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=174) 0 8.175652 10.068821 0.712067 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=174) 0 8.403052 11.262358 -0.568508 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=174) 0 6.784338 9.905952 -0.916478 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=174) 0 6.049445 9.073377 -0.400898 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=174) 0 6.376942 10.488790 -2.019587 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=174) 0 5.436411 10.300343 -2.350715 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=174) 0 6.951080 11.179437 -2.497676 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=174) 0 9.236380 6.886717 -1.765336 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=174) 0 8.213981 6.644383 -2.410375 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=175) 0 10.396940 6.284717 -2.045551 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=175) 0 11.219103 6.567960 -1.525619 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=175) 0 10.529766 5.199377 -3.024590 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=175) 0 9.941740 5.444767 -3.908973 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=175) 0 11.995417 5.084975 -3.451200 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=175) 0 12.603131 4.738052 -2.615824 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=175) 0 12.079405 4.371994 -4.272342 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=175) 0 12.360872 6.054795 -3.781206 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=175) 0 9.996200 3.859572 -2.488187 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=175) 0 9.214735 3.192782 -3.168202 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=176) 0 10.353356 3.498789 -1.251350 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=176) 0 11.004465 4.089903 -0.744639 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=176) 0 9.846104 2.302007 -0.577582 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=176) 0 10.149219 1.418660 -1.137411 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=176) 0 10.464868 2.253812 0.824959 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=176) 0 10.118144 3.094903 1.424315 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=176) 0 10.170733 1.326770 1.313531 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=176) 0 11.551324 2.297552 0.755631 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=176) 0 8.311745 2.304097 -0.500559 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=176) 0 7.644895 1.324867 -0.820221 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=177) 0 7.740429 3.454225 -0.149149 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=177) 0 8.358451 4.214870 0.122322 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=177) 0 6.300575 3.684460 -0.033932 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=177) 0 5.867954 2.852874 0.520851 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=177) 0 6.105399 4.981927 0.777955 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=177) 0 6.692011 5.770601 0.305049 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=177) 0 5.074548 5.314146 0.734598 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=177) 0 6.534480 4.873886 2.259370 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=177) 0 7.558143 4.509778 2.324411 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=177) 0 6.516985 5.879602 2.684288 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=177) 0 5.675499 3.965037 3.145880 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=177) 0 4.756681 3.258611 2.673583 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=177) 0 5.886915 3.945445 4.380332 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=177) 0 5.560215 3.698841 -1.393215 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=177) 0 4.333679 3.834074 -1.419529 L N-N--0.415700(PDBName=N,ResName=ALA,ResNum=178) 0 6.272044 3.530959 -2.516098 L H-H-0.271900(PDBName=H,ResName=ALA,ResNum=178) 0 7.277227 3.443763 -2.422399 L C-CT-0.033700(PDBName=CA,ResName=ALA,ResNum=178) 0 5.717050 3.365898 -3.864029 L H-H1-0.082300(PDBName=HA,ResName=ALA,ResNum=178) 0 4.647955 3.583432 -3.842016 L C-CT--0.182500(PDBName=CB,ResName=ALA,ResNum=178) 0 6.378362 4.408136 -4.770551 L H-HC-0.060300(PDBName=HB1,ResName=ALA,ResNum=178) 0 7.458614 4.266033 -4.786677 L H-HC-0.060300(PDBName=HB2,ResName=ALA,ResNum=178) 0 5.994900 4.315984 -5.786969 L H-HC-0.060300(PDBName=HB3,ResName=ALA,ResNum=178) 0 6.146945 5.401030 -4.391145 L C-C-0.597300(PDBName=C,ResName=ALA,ResNum=178) 0 5.861570 1.933520 -4.429007 L O-O--0.567900(PDBName=O,ResName=ALA,ResNum=178) 0 5.054523 1.530050 -5.276792 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=179) 0 6.820439 1.132888 -3.943126 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=179) 0 7.440606 1.506714 -3.232831 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=179) 0 7.011150 -0.281543 -4.320001 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=179) 0 6.143035 -0.612523 -4.886226 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=179) 0 8.231684 -0.478440 -5.260055 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=179) 0 9.136555 -0.199718 -4.721281 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=179) 0 8.351470 -1.947304 -5.716966 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=179) 0 7.565167 -2.180746 -6.431382 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=179) 0 9.314977 -2.112095 -6.191501 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=179) 0 8.285751 -2.638964 -4.882893 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=179) 0 8.123050 0.416504 -6.518713 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=179) 0 7.159737 0.248181 -7.000272 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=179) 0 8.165904 1.460293 -6.210788 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=179) 0 9.225242 0.192343 -7.565556 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=179) 0 9.150024 -0.801396 -8.004716 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=179) 0 9.110998 0.910348 -8.373203 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=179) 0 10.203135 0.323101 -7.105071 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=179) 0 7.030669 -1.161679 -3.058387 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=179) 0 8.053611 -1.693682 -2.642960 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=180) 0 5.849410 -1.375583 -2.478476 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=180) 0 5.042574 -0.888615 -2.849927 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=180) 0 5.615834 -2.378935 -1.427095 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=180) 0 6.330288 -2.216263 -0.617343 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=180) 0 4.197252 -2.130938 -0.896538 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=180) 0 4.161879 -1.106779 -0.528565 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=180) 0 3.485412 -2.205753 -1.717980 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=180) 0 3.750886 -3.071921 0.223055 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=180) 0 4.085078 -2.802107 1.399016 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=180) 0 2.973757 -4.010708 -0.063026 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=180) 0 5.812392 -3.824811 -1.939212 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=180) 0 5.907279 -4.769389 -1.155979 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=181) 0 5.897431 -4.004362 -3.260693 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=181) 0 5.783689 -3.181207 -3.840896 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=181) 0 6.168573 -5.258543 -3.971114 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=181) 0 5.719098 -6.054899 -3.396392 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=181) 0 5.421885 -5.297797 -5.320551 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=181) 0 5.758636 -6.165005 -5.889752 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=181) 0 4.364031 -5.458144 -5.107219 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=181) 0 5.517704 -4.040741 -6.192840 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=181) 0 5.155832 -2.933450 -5.722460 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=181) 0 5.821813 -4.175377 -7.400662 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=181) 0 7.658861 -5.656212 -4.006155 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=181) 0 8.030085 -6.656757 -4.626138 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=182) 0 8.504295 -4.934366 -3.267519 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=182) 0 8.126569 -4.129896 -2.776092 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=182) 0 9.886290 -5.287741 -2.919448 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=182) 0 10.065250 -6.333848 -3.155578 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=182) 0 10.868509 -4.424060 -3.752113 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=182) 0 10.616944 -3.376815 -3.595425 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=182) 0 12.320756 -4.637791 -3.303862 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=182) 0 12.580105 -5.689182 -3.403772 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=182) 0 12.994390 -4.043610 -3.912271 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=182) 0 12.453389 -4.311879 -2.273826 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=182) 0 10.746741 -4.731092 -5.263664 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=182) 0 11.002430 -5.777320 -5.429106 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=182) 0 9.714541 -4.587312 -5.578244 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=182) 0 11.616240 -3.853084 -6.179041 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=182) 0 12.662715 -4.144980 -6.110676 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=182) 0 11.292417 -3.978282 -7.212612 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=182) 0 11.516593 -2.804197 -5.899864 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=182) 0 10.059498 -5.074574 -1.397611 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=182) 0 9.502407 -4.111916 -0.868602 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=183) 0 10.836557 -5.897432 -0.663327 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=183) 0 11.314272 -7.222085 -0.988595 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=183) 0 12.324587 -7.147026 -1.384880 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=183) 0 10.661032 -7.736809 -1.686673 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=183) 0 11.343022 -7.957222 0.349985 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=183) 0 12.036480 -8.795569 0.345596 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=183) 0 10.338384 -8.286698 0.617904 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=183) 0 11.807186 -6.870752 1.312084 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=183) 0 12.897884 -6.844339 1.318481 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=183) 0 11.431884 -7.044784 2.320517 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=183) 0 11.226055 -5.585307 0.706054 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=183) 0 10.337877 -5.301364 1.271091 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=183) 0 12.238980 -4.440196 0.704005 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=183) 0 13.353405 -4.576561 0.186834 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=184) 0 11.852705 -3.318232 1.301601 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=184) 0 10.926611 -3.295770 1.710702 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=184) 0 12.740947 -2.191058 1.562559 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=184) 0 13.632622 -2.288320 0.950717 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=184) 0 12.072970 -0.866804 1.174762 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=184) 0 11.039797 -0.878110 1.516607 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=184) 0 12.579267 -0.060745 1.707125 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=184) 0 12.085944 -0.526577 -0.304300 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=184) 0 11.182746 -1.141831 -1.185974 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=184) 0 10.494372 -1.889784 -0.824716 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=184) 0 11.128701 -0.741408 -2.530599 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=184) 0 10.415306 -1.202490 -3.192755 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=184) 0 11.953595 0.291947 -2.998478 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=184) 0 11.853442 0.633278 -4.015800 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=184) 0 12.870213 0.902386 -2.128338 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=184) 0 13.496914 1.709752 -2.477915 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=184) 0 12.933722 0.487706 -0.786987 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=184) 0 13.596940 0.989676 -0.108560 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=184) 0 13.162373 -2.192457 3.034627 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=184) 0 12.338307 -2.410987 3.921341 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=185) 0 14.429325 -1.886582 3.304049 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=185) 0 15.064201 -1.789966 2.517429 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=185) 0 14.958416 -1.614309 4.641149 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=185) 0 14.152060 -1.648302 5.368137 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=185) 0 15.687352 -2.376858 4.905784 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=185) 0 15.642814 -0.250526 4.718201 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=185) 0 16.112016 0.258859 3.705235 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=186) 0 15.736662 0.348231 5.902676 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=186) 0 15.313445 -0.107587 6.707735 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=186) 0 16.504178 1.580695 6.142980 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=186) 0 17.172640 1.727977 5.297387 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=186) 0 15.579559 2.817805 6.212783 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=186) 0 14.939535 2.790492 5.335501 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=186) 0 14.655256 2.801925 7.441973 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=186) 0 15.228199 2.945343 8.358738 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=186) 0 13.915959 3.597671 7.363317 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=186) 0 14.120208 1.854414 7.498721 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=186) 0 16.404103 4.119889 6.118855 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=186) 0 16.993910 4.254719 7.026465 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=186) 0 17.089188 4.041816 5.273488 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=186) 0 15.541619 5.368853 5.905280 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=186) 0 14.939474 5.566932 6.790759 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=186) 0 16.188290 6.225514 5.715173 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=186) 0 14.880541 5.226799 5.052958 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=186) 0 17.384806 1.429050 7.381691 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=186) 0 16.967118 0.824788 8.366126 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=187) 0 18.601994 1.966710 7.350499 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=187) 0 18.926810 2.397037 6.488618 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=187) 0 19.521704 1.938256 8.491737 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=187) 0 18.933591 1.780699 9.393564 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=187) 0 20.500101 0.759986 8.381963 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=187) 0 19.925302 -0.147995 8.210759 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=187) 0 21.520577 0.882630 7.250364 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=187) 0 22.272451 1.632771 7.494080 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=187) 0 22.003605 -0.077512 7.093728 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=187) 0 21.019701 1.155805 6.323504 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=187) 0 21.191335 0.619978 9.601304 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=187) 0 20.588929 0.132490 10.191923 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=187) 0 20.268006 3.254744 8.669620 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=187) 0 20.734045 3.851638 7.697336 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=188) 0 20.423127 3.671863 9.926970 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=188) 0 19.951060 3.153032 10.661773 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=188) 0 21.288985 4.781712 10.339912 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=188) 0 21.703539 5.238080 9.443408 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=188) 0 20.473650 5.875646 11.045139 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=188) 0 21.123301 6.724568 11.256566 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=188) 0 19.676853 6.213004 10.380798 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=188) 0 19.895456 5.427412 12.259744 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=188) 0 19.515698 6.233887 12.692893 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=188) 0 22.507048 4.325483 11.156143 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=188) 0 23.202449 5.159173 11.736356 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=189) 0 22.786793 3.014828 11.217628 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=189) 0 22.203101 2.369851 10.698505 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=189) 0 23.935057 2.463019 11.941646 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=189) 0 24.339281 3.233990 12.600884 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=189) 0 23.484332 1.301946 12.846067 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=189) 0 22.730659 1.660402 13.542681 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=189) 0 23.047904 0.509335 12.240916 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=189) 0 24.643918 0.742402 13.654855 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=189) 0 25.689966 1.358694 13.782787 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=189) 0 24.535930 -0.443813 14.195864 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=189) 0 25.384245 -0.809634 14.633584 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=189) 0 23.718918 -1.021059 14.034487 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=189) 0 25.064774 2.047774 10.984589 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=189) 0 24.876351 1.204189 10.104134 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=190) 0 26.270232 2.582304 11.194032 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=190) 0 26.411002 3.182006 11.995131 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=190) 0 27.420672 2.310832 10.330689 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=190) 0 27.065077 2.414292 9.309658 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=190) 0 28.504899 3.371130 10.501899 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=190) 0 29.295899 3.179936 9.776695 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=190) 0 28.085938 4.358844 10.303085 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=190) 0 29.048493 3.345346 11.804188 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=190) 0 30.002265 3.543752 11.698217 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=190) 0 27.992557 0.889013 10.443170 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=190) 0 28.722840 0.472759 9.543960 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=191) 0 27.599209 0.078332 11.434578 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=191) 0 27.064610 0.472386 12.200633 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=191) 0 27.833233 -1.379509 11.394111 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=191) 0 28.904498 -1.582989 11.398060 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=191) 0 27.183409 -2.069904 12.602410 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=191) 0 26.134492 -1.783021 12.649897 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=191) 0 27.202895 -3.147822 12.448184 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=191) 0 27.872609 -1.784900 13.932704 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=191) 0 29.061149 -2.151766 14.096600 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=191) 0 27.197939 -1.248047 14.839857 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=191) 0 27.223164 -2.008664 10.128155 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=191) 0 27.835644 -2.848799 9.462981 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=192) 0 26.011429 -1.575750 9.769345 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=192) 0 25.587902 -0.833873 10.315424 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=192) 0 25.241877 -2.126261 8.646719 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=192) 0 25.368728 -3.209298 8.646954 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=192) 0 23.737872 -1.824622 8.805109 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=192) 0 23.556955 -0.786196 8.536843 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=192) 0 22.899630 -2.742013 7.906511 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=192) 0 23.026144 -3.779239 8.214061 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=192) 0 21.845882 -2.473389 7.988201 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=192) 0 23.202532 -2.642403 6.867481 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=192) 0 23.252922 -2.044490 10.243916 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=192) 0 23.649270 -1.268481 10.895282 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=192) 0 22.164507 -1.996660 10.288203 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=192) 0 23.593338 -3.014247 10.596696 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=192) 0 25.788586 -1.601461 7.318633 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=192) 0 25.914738 -2.367754 6.368130 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=193) 0 26.220635 -0.334222 7.276548 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=193) 0 26.086293 0.231405 8.103043 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=193) 0 27.021079 0.216013 6.172302 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=193) 0 26.442830 0.214384 5.247566 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=193) 0 27.465834 1.650928 6.501833 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=193) 0 27.898466 1.668775 7.495735 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=193) 0 28.291360 1.877536 5.838861 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=193) 0 26.483519 2.805483 6.394229 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=193) 0 26.837874 3.922146 5.610166 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=193) 0 27.740756 3.908136 5.013632 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=193) 0 26.048057 5.082465 5.630114 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=193) 0 26.335721 5.945687 5.048046 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=193) 0 24.884786 5.127078 6.412424 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=193) 0 24.281148 6.021941 6.412477 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=193) 0 24.503190 4.007641 7.171642 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=193) 0 23.597940 4.039546 7.763597 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=193) 0 25.305678 2.851934 7.167683 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=193) 0 25.014029 2.010300 7.773336 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=193) 0 28.296284 -0.619610 5.941025 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=193) 0 28.598927 -1.009700 4.811453 L N-N--0.415700(PDBName=N,ResName=SER,ResNum=194) 0 29.029782 -0.923437 7.019722 L H-H-0.271900(PDBName=H,ResName=SER,ResNum=194) 0 28.721663 -0.561587 7.914266 L C-CT--0.024900(PDBName=CA,ResName=SER,ResNum=194) 0 30.319080 -1.628533 6.968779 L H-H1-0.084300(PDBName=HA,ResName=SER,ResNum=194) 0 30.995964 -1.080920 6.311024 L C-CT-0.211700(PDBName=CB,ResName=SER,ResNum=194) 0 30.965236 -1.713633 8.355037 L H-H1-0.035200(PDBName=HB2,ResName=SER,ResNum=194) 0 30.352149 -2.349130 8.995203 L H-H1-0.035200(PDBName=HB3,ResName=SER,ResNum=194) 0 31.950040 -2.174017 8.255771 L O-OH--0.654600(PDBName=OG,ResName=SER,ResNum=194) 0 31.115466 -0.443191 8.969422 L H-HO-0.427500(PDBName=HG,ResName=SER,ResNum=194) 0 30.217136 -0.104606 9.179381 L C-C-0.597300(PDBName=C,ResName=SER,ResNum=194) 0 30.183667 -3.050770 6.423706 L O-O--0.567900(PDBName=O,ResName=SER,ResNum=194) 0 31.059990 -3.504871 5.689090 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=195) 0 29.071330 -3.748477 6.703932 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=195) 0 28.397477 -3.337550 7.342355 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=195) 0 28.790538 -5.082677 6.136925 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=195) 0 29.601297 -5.753451 6.426404 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=195) 0 27.478944 -5.624659 6.735504 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=195) 0 27.562358 -5.611399 7.823930 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=195) 0 26.644762 -4.985093 6.442569 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=195) 0 27.198758 -7.064973 6.274085 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=195) 0 26.934460 -7.061770 5.216297 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=195) 0 28.100878 -7.664177 6.408744 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=195) 0 26.059629 -7.716924 7.061050 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=195) 0 26.335786 -7.758963 8.116594 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=195) 0 25.147078 -7.128981 6.945834 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=195) 0 25.828160 -9.136299 6.532022 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=195) 0 25.426777 -9.078634 5.515722 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=195) 0 26.784788 -9.664128 6.490121 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=195) 0 24.896686 -9.876874 7.405295 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=195) 0 24.007297 -9.398115 7.498992 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=195) 0 24.716987 -10.826056 7.079903 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=195) 0 25.262851 -9.972201 8.351082 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=195) 0 28.767517 -5.084085 4.599987 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=195) 0 29.080414 -6.102507 3.984514 L N-N--0.415700(PDBName=N,ResName=TYR,ResNum=196) 0 28.473503 -3.939690 3.980377 L H-H-0.271900(PDBName=H,ResName=TYR,ResNum=196) 0 28.235490 -3.142192 4.556131 L C-CT--0.001400(PDBName=CA,ResName=TYR,ResNum=196) 0 28.406931 -3.766887 2.526679 L H-H1-0.087600(PDBName=HA,ResName=TYR,ResNum=196) 0 28.652873 -4.721211 2.061400 L C-CT--0.015200(PDBName=CB,ResName=TYR,ResNum=196) 0 26.954456 -3.456237 2.127166 L H-HC-0.029500(PDBName=HB2,ResName=TYR,ResNum=196) 0 26.677310 -2.476644 2.520291 L H-HC-0.029500(PDBName=HB3,ResName=TYR,ResNum=196) 0 26.877376 -3.416405 1.040373 L C-CA--0.001100(PDBName=CG,ResName=TYR,ResNum=196) 0 25.983057 -4.508420 2.641410 L C-CA--0.190600(PDBName=CD1,ResName=TYR,ResNum=196) 0 26.029672 -5.818633 2.125256 L H-HA-0.169900(PDBName=HD1,ResName=TYR,ResNum=196) 0 26.712523 -6.061192 1.322528 L C-CA--0.234100(PDBName=CE1,ResName=TYR,ResNum=196) 0 25.224577 -6.829665 2.685128 L H-HA-0.165600(PDBName=HE1,ResName=TYR,ResNum=196) 0 25.283116 -7.837954 2.304624 L C-C-0.322600(PDBName=CZ,ResName=TYR,ResNum=196) 0 24.362944 -6.534406 3.763906 L O-OH--0.557900(PDBName=OH,ResName=TYR,ResNum=196) 0 23.627257 -7.519466 4.344486 L H-HO-0.399200(PDBName=HH,ResName=TYR,ResNum=196) 0 23.788972 -8.381918 3.914775 L C-CA--0.234100(PDBName=CE2,ResName=TYR,ResNum=196) 0 24.302645 -5.218321 4.268255 L H-HA-0.165600(PDBName=HE2,ResName=TYR,ResNum=196) 0 23.651913 -4.998743 5.100334 L C-CA--0.190600(PDBName=CD2,ResName=TYR,ResNum=196) 0 25.114512 -4.211291 3.709485 L H-HA-0.169900(PDBName=HD2,ResName=TYR,ResNum=196) 0 25.099555 -3.214493 4.126173 L C-C-0.597300(PDBName=C,ResName=TYR,ResNum=196) 0 29.462767 -2.788318 1.977385 L O-O--0.567900(PDBName=O,ResName=TYR,ResNum=196) 0 29.319917 -2.308160 0.850891 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=197) 0 30.554597 -2.557025 2.720814 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=197) 0 30.610288 -3.006093 3.627842 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=197) 0 31.694850 -1.703761 2.338896 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=197) 0 32.369446 -1.696122 3.195222 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=197) 0 32.477576 -2.317508 1.154051 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=197) 0 31.836627 -2.354226 0.273360 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=197) 0 33.316703 -1.666353 0.908777 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=197) 0 33.036104 -3.723608 1.410149 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=197) 0 32.222343 -4.410499 1.633939 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=197) 0 33.530057 -4.068674 0.504717 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=197) 0 34.046431 -3.747691 2.547369 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=197) 0 33.862938 -4.401126 3.564314 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=197) 0 35.139064 -3.035606 2.439887 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=197) 0 35.799761 -3.048711 3.204144 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=197) 0 35.347781 -2.540540 1.579104 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=197) 0 31.348274 -0.218544 2.106982 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=197) 0 31.995752 0.452048 1.301596 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=198) 0 30.323038 0.316666 2.776611 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=198) 0 29.822201 -0.252715 3.449430 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=198) 0 29.872190 1.694008 2.555807 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=198) 0 30.153268 1.992782 1.546496 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=198) 0 28.336432 1.772090 2.618197 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=198) 0 28.022656 1.588442 3.641966 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=198) 0 28.036077 2.787528 2.355416 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=198) 0 27.582327 0.780930 1.712247 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=198) 0 27.801097 -0.237731 2.029895 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=198) 0 26.084730 1.010230 1.882981 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=198) 0 25.807373 1.999781 1.518367 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=198) 0 25.529871 0.251396 1.336850 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=198) 0 25.825340 0.929796 2.936371 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=198) 0 27.931268 0.919166 0.229247 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=198) 0 28.975760 0.655425 0.066581 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=198) 0 27.306517 0.250511 -0.361812 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=198) 0 27.762502 1.944115 -0.098601 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=198) 0 30.551346 2.680203 3.521830 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=198) 0 30.283632 2.684193 4.722406 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=199) 0 31.389124 3.572079 2.994799 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=199) 0 31.602340 3.497612 2.007954 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=199) 0 31.928323 4.729083 3.730386 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=199) 0 32.133951 4.429412 4.759527 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=199) 0 33.256748 5.164898 3.091601 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=199) 0 33.787232 5.802322 3.800674 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=199) 0 33.877259 4.287131 2.906978 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=199) 0 33.059752 5.936185 1.782258 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=199) 0 32.598119 5.327520 0.786770 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=199) 0 33.366598 7.150598 1.740022 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=199) 0 30.948924 5.918836 3.769405 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=199) 0 31.088120 6.825825 4.592101 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=200) 0 29.973871 5.923382 2.856880 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=200) 0 29.918678 5.106168 2.260050 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=200) 0 29.150609 7.069874 2.457839 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=200) 0 29.290230 7.896946 3.155403 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=200) 0 29.647737 7.489922 1.062170 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=200) 0 30.704021 7.750083 1.134978 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=200) 0 29.571544 6.621660 0.412986 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=200) 0 28.918438 8.665785 0.395185 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=200) 0 27.842482 8.555610 0.488078 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=200) 0 29.205689 9.588936 0.899412 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=200) 0 29.270140 8.770949 -1.099453 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=200) 0 28.844746 9.689181 -1.492710 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=200) 0 30.350685 8.850833 -1.205046 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=200) 0 28.780920 7.597078 -1.964738 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=200) 0 29.145585 7.748975 -2.985359 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=200) 0 29.223105 6.664920 -1.602377 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=200) 0 27.302144 7.491774 -1.981564 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=200) 0 26.891088 8.374967 -2.275786 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=200) 0 27.003694 6.760494 -2.622482 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=200) 0 26.928790 7.278183 -1.060675 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=200) 0 27.673893 6.679614 2.444171 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=200) 0 27.336784 5.544946 2.104698 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=201) 0 26.795340 7.624897 2.759870 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=201) 0 27.135039 8.525821 3.065451 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=201) 0 25.343722 7.444827 2.665711 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=201) 0 25.064776 6.594662 3.287603 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=201) 0 24.638527 8.688055 3.218199 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=201) 0 24.870476 9.540783 2.577876 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=201) 0 23.561396 8.528621 3.186596 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=201) 0 25.055905 9.012523 4.652529 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=201) 0 24.362807 8.603738 5.609088 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=201) 0 26.042348 9.763000 4.833917 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=201) 0 24.873509 7.142699 1.226802 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=201) 0 25.489039 7.565977 0.237564 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=202) 0 23.769115 6.410352 1.088647 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=202) 0 23.267397 6.121684 1.927637 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=202) 0 23.240294 5.988231 -0.208885 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=202) 0 22.748861 6.830285 -0.692613 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=202) 0 24.065407 5.658662 -0.841239 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=202) 0 22.223077 4.858292 -0.112689 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=202) 0 21.585930 4.655377 0.914759 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=203) 0 22.052450 4.114378 -1.203482 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=203) 0 22.646041 4.282267 -2.002748 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=203) 0 21.096824 3.000994 -1.302741 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=203) 0 20.838585 2.659015 -0.301502 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=203) 0 19.794227 3.444638 -2.007969 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=203) 0 20.015951 3.731141 -3.032095 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=203) 0 18.747349 2.329336 -2.044959 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=203) 0 18.523054 1.999656 -1.031477 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=203) 0 17.833949 2.691607 -2.510502 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=203) 0 19.107962 1.488626 -2.634666 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=203) 0 19.158352 4.656199 -1.316320 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=203) 0 19.798317 5.527078 -1.443555 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=203) 0 18.193844 4.888492 -1.757593 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=203) 0 19.022110 4.450548 -0.256173 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=203) 0 21.761386 1.833548 -2.025819 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=203) 0 22.564404 2.044969 -2.933656 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=204) 0 21.425935 0.603791 -1.641980 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=204) 0 20.777386 0.500660 -0.865485 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=204) 0 21.891760 -0.618971 -2.302372 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=204) 0 22.380178 -0.347248 -3.235079 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=204) 0 22.929385 -1.365198 -1.446625 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=204) 0 22.455521 -1.716626 -0.534500 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=204) 0 23.482167 -2.582338 -2.181348 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=204) 0 23.967971 -2.269601 -3.105394 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=204) 0 24.202583 -3.087351 -1.538738 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=204) 0 22.680846 -3.285755 -2.406603 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=204) 0 24.125911 -0.478275 -1.078071 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=204) 0 23.803326 0.347356 -0.444965 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=204) 0 24.865327 -1.061435 -0.530222 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=204) 0 24.586186 -0.073783 -1.979943 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=204) 0 20.700196 -1.512477 -2.635003 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=204) 0 19.892706 -1.837330 -1.765013 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=205) 0 20.600800 -1.919754 -3.898974 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=205) 0 21.347094 -1.647026 -4.531230 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=205) 0 19.639254 -2.902223 -4.392602 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=205) 0 18.797013 -2.958415 -3.701727 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=205) 0 19.087230 -2.423900 -5.746028 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=205) 0 18.527695 -1.515626 -5.530532 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=205) 0 19.910574 -2.149566 -6.404053 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=205) 0 18.147735 -3.389884 -6.497009 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=205) 0 17.497961 -3.903395 -5.789045 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=205) 0 17.278292 -2.560789 -7.443340 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=205) 0 17.903323 -2.002692 -8.139870 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=205) 0 16.602383 -3.207943 -7.994562 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=205) 0 16.685988 -1.856673 -6.861954 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=205) 0 18.892529 -4.421971 -7.353653 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=205) 0 19.427519 -5.128696 -6.725650 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=205) 0 18.183900 -4.993313 -7.948434 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=205) 0 19.592998 -3.923473 -8.021421 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=205) 0 20.303074 -4.276407 -4.425020 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=205) 0 21.368103 -4.456010 -5.015438 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=206) 0 19.650284 -5.249339 -3.809242 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=206) 0 18.728808 -5.040760 -3.439770 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=206) 0 20.073738 -6.637962 -3.733778 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=206) 0 21.080031 -6.734027 -4.137401 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=206) 0 20.104131 -7.093036 -2.272051 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=206) 0 19.095800 -7.022017 -1.861582 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=206) 0 20.390980 -8.144893 -2.252850 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=206) 0 21.052384 -6.320895 -1.373082 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=206) 0 20.635588 -5.119582 -0.766582 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=206) 0 19.648631 -4.725409 -0.963567 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=206) 0 21.496641 -4.433737 0.107040 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=206) 0 21.171279 -3.514105 0.568643 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=206) 0 22.776443 -4.945899 0.381261 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=206) 0 23.434348 -4.425787 1.064159 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=206) 0 23.198400 -6.139264 -0.230084 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=206) 0 24.179173 -6.537186 -0.014046 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=206) 0 22.340132 -6.824512 -1.108416 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=206) 0 22.664907 -7.749239 -1.564427 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=206) 0 19.136986 -7.518452 -4.561186 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=206) 0 17.959787 -7.204896 -4.743430 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=207) 0 19.664992 -8.629824 -5.064664 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=207) 0 20.653340 -8.800296 -4.909062 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=207) 0 18.900487 -9.671633 -5.756376 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=207) 0 17.967984 -9.826514 -5.211686 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=207) 0 18.567232 -9.225063 -7.192619 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=207) 0 18.073640 -10.045458 -7.714847 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=207) 0 17.867267 -8.389824 -7.153419 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=207) 0 19.806798 -8.786258 -7.982324 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=207) 0 20.194396 -7.851690 -7.573339 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=207) 0 20.572321 -9.552694 -7.901801 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=207) 0 19.468242 -8.586150 -9.456194 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=207) 0 19.148870 -9.537796 -9.872858 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=207) 0 18.673108 -7.848158 -9.555781 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=207) 0 20.716161 -8.109435 -10.189041 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=207) 0 21.062895 -7.177878 -9.735374 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=207) 0 21.513903 -8.847522 -10.064062 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=207) 0 20.462164 -7.884787 -11.623582 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=207) 0 19.739255 -7.188211 -11.766005 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=207) 0 21.305989 -7.520470 -12.055232 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=207) 0 20.280375 -8.750770 -12.131668 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=207) 0 19.644687 -11.003651 -5.733609 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=207) 0 20.839054 -11.043385 -5.436650 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=208) 0 18.963614 -12.096430 -6.070434 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=208) 0 17.971651 -11.971803 -6.259145 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=208) 0 19.513265 -13.466928 -6.001454 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=208) 0 20.359311 -13.453720 -5.311178 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=208) 0 18.469120 -14.408390 -5.379666 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=208) 0 17.590454 -14.471149 -6.024653 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=208) 0 18.902019 -15.403472 -5.284391 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=208) 0 18.057604 -13.904755 -3.985119 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=208) 0 18.948379 -13.671764 -3.400081 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=208) 0 17.469824 -12.993184 -4.090101 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=208) 0 17.232650 -14.942548 -3.226921 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=208) 0 16.406909 -15.282322 -3.854462 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=208) 0 17.866861 -15.792560 -2.971675 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=208) 0 16.677587 -14.308645 -1.953031 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=208) 0 17.501117 -13.906559 -1.357045 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=208) 0 16.025966 -13.481817 -2.238028 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=208) 0 15.915206 -15.297070 -1.167837 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=208) 0 16.548602 -15.939822 -0.698748 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=208) 0 15.356504 -14.843631 -0.454206 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=208) 0 15.277976 -15.819991 -1.768850 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=208) 0 20.125654 -13.973440 -7.319234 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=208) 0 20.263953 -15.180268 -7.522796 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=209) 0 20.475535 -13.055524 -8.219314 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=209) 0 20.394682 -12.086007 -7.959076 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=209) 0 21.003208 -13.326546 -9.558699 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=209) 0 21.638889 -14.211563 -9.509445 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=209) 0 19.834032 -13.630243 -10.517657 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=209) 0 20.229337 -13.779465 -11.522853 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=209) 0 19.387908 -14.579325 -10.218499 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=209) 0 18.722195 -12.593389 -10.570966 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=209) 0 18.678426 -11.649623 -11.614548 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=209) 0 19.439766 -11.654119 -12.382031 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=209) 0 17.629262 -10.714234 -11.678101 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=209) 0 17.594128 -10.007660 -12.493878 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=209) 0 16.625630 -10.710992 -10.690953 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=209) 0 15.808627 -10.005011 -10.740144 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=209) 0 16.660831 -11.656396 -9.652885 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=209) 0 15.875300 -11.673183 -8.908945 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=209) 0 17.698428 -12.602936 -9.601604 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=209) 0 17.694614 -13.353444 -8.824709 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=209) 0 21.887071 -12.168754 -10.061128 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=209) 0 21.880230 -11.077017 -9.492068 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=210) 0 22.648340 -12.412692 -11.130597 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=210) 0 22.580792 -13.332916 -11.542806 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=210) 0 23.701824 -11.537091 -11.675844 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=210) 0 24.221504 -12.096790 -12.453193 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=210) 0 23.092829 -10.305052 -12.375466 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=210) 0 22.703759 -9.624247 -11.620279 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=210) 0 23.881501 -9.783193 -12.918990 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=210) 0 21.978398 -10.652165 -13.367262 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=210) 0 20.997562 -9.870092 -13.431954 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=210) 0 22.095818 -11.692561 -14.062405 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=210) 0 24.775373 -11.222557 -10.615208 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=210) 0 25.118893 -12.102179 -9.818867 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=211) 0 25.323219 -10.004831 -10.565241 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=211) 0 25.054093 -9.324610 -11.265951 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=211) 0 26.254866 -9.577911 -9.502247 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=211) 0 27.104359 -10.262411 -9.502547 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=211) 0 26.810452 -8.174176 -9.814164 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=211) 0 27.686410 -8.015780 -9.183990 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=211) 0 27.148321 -8.147726 -10.849789 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=211) 0 25.847220 -7.000243 -9.568971 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=211) 0 25.592432 -6.976029 -8.510967 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=211) 0 26.363641 -6.068583 -9.807246 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=211) 0 24.566535 -7.086980 -10.398945 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=211) 0 24.645280 -6.971539 -11.645106 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=211) 0 23.483699 -7.317821 -9.815170 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=211) 0 25.631578 -9.636926 -8.089919 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=211) 0 26.340469 -9.766413 -7.088713 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=212) 0 24.299189 -9.569282 -8.001289 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=212) 0 23.786037 -9.424289 -8.864666 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=212) 0 23.512665 -9.739744 -6.779032 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=212) 0 22.512061 -10.057096 -7.057849 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=212) 0 23.956927 -10.532476 -6.178303 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=212) 0 23.401256 -8.495285 -5.895305 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=212) 0 22.605782 -8.490465 -4.950827 L N-N--0.347900(PDBName=N,ResName=ARG,ResNum=213) 0 24.175707 -7.439392 -6.169280 L H-H-0.274700(PDBName=H,ResName=ARG,ResNum=213) 0 24.794635 -7.506508 -6.969000 L C-CT--0.263700(PDBName=CA,ResName=ARG,ResNum=213) 0 24.250111 -6.225949 -5.345461 L H-H1-0.156000(PDBName=HA,ResName=ARG,ResNum=213) 0 23.265742 -6.033510 -4.919850 L C-CT--0.000700(PDBName=CB,ResName=ARG,ResNum=213) 0 25.233506 -6.490318 -4.194598 L H-HC-0.032700(PDBName=HB2,ResName=ARG,ResNum=213) 0 24.928084 -7.403924 -3.681874 L H-HC-0.032700(PDBName=HB3,ResName=ARG,ResNum=213) 0 26.233934 -6.641926 -4.600463 L C-CT-0.039000(PDBName=CG,ResName=ARG,ResNum=213) 0 25.242602 -5.362501 -3.159348 L H-HC-0.028500(PDBName=HG2,ResName=ARG,ResNum=213) 0 24.274971 -4.869290 -3.188886 L H-HC-0.028500(PDBName=HG3,ResName=ARG,ResNum=213) 0 25.355129 -5.793026 -2.163540 L C-CT-0.048600(PDBName=CD,ResName=ARG,ResNum=213) 0 26.359610 -4.332522 -3.382223 L H-H1-0.068700(PDBName=HD2,ResName=ARG,ResNum=213) 0 26.578371 -4.223753 -4.445692 L H-H1-0.068700(PDBName=HD3,ResName=ARG,ResNum=213) 0 26.002728 -3.373787 -3.013985 L N-N2--0.529500(PDBName=NE,ResName=ARG,ResNum=213) 0 27.580118 -4.725586 -2.656304 L H-H-0.345600(PDBName=HE,ResName=ARG,ResNum=213) 0 27.866339 -5.698159 -2.746862 L C-CA-0.807600(PDBName=CZ,ResName=ARG,ResNum=213) 0 28.258455 -3.986724 -1.800137 L N-N2--0.862700(PDBName=NH1,ResName=ARG,ResNum=213) 0 28.048981 -2.708514 -1.644101 L H-H-0.447800(PDBName=HH11,ResName=ARG,ResNum=213) 0 27.394775 -2.222198 -2.252762 L H-H-0.447800(PDBName=HH12,ResName=ARG,ResNum=213) 0 28.507076 -2.227428 -0.878800 L N-N2--0.862700(PDBName=NH2,ResName=ARG,ResNum=213) 0 29.170666 -4.518567 -1.041430 L H-H-0.447800(PDBName=HH21,ResName=ARG,ResNum=213) 0 29.347110 -5.522010 -1.052602 L H-H-0.447800(PDBName=HH22,ResName=ARG,ResNum=213) 0 29.670710 -3.916174 -0.409388 L C-C-0.734100(PDBName=C,ResName=ARG,ResNum=213) 0 24.661612 -5.008775 -6.175330 L O-O--0.589400(PDBName=O,ResName=ARG,ResNum=213) 0 25.678150 -5.034043 -6.854633 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=214) 0 23.877664 -3.938545 -6.093674 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=214) 0 23.069157 -3.998622 -5.485914 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=214) 0 23.953789 -2.767111 -6.965139 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=214) 0 24.884883 -2.780826 -7.537642 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=214) 0 22.758919 -2.810698 -7.938638 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=214) 0 21.830665 -2.870557 -7.375480 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=214) 0 22.736402 -1.891705 -8.524585 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=214) 0 22.830935 -3.981915 -8.896432 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=214) 0 23.319785 -3.856037 -10.006802 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=214) 0 22.362375 -5.142219 -8.504919 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=214) 0 22.642715 -5.950808 -9.068275 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=214) 0 21.995107 -5.247471 -7.577467 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=214) 0 23.922331 -1.492017 -6.116774 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=214) 0 22.961718 -1.275776 -5.379305 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=215) 0 24.947359 -0.648103 -6.212746 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=215) 0 25.684280 -0.844352 -6.884857 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=215) 0 25.072852 0.574113 -5.416368 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=215) 0 24.545859 0.457669 -4.466571 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=215) 0 26.559434 0.802526 -5.122497 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=215) 0 27.082486 0.826021 -6.076436 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=215) 0 26.680014 1.775755 -4.652875 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=215) 0 27.243976 -0.226712 -4.234275 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=215) 0 26.652559 -1.041382 -3.537413 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=215) 0 28.555270 -0.211822 -4.230988 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=215) 0 29.044136 -0.871024 -3.657651 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=215) 0 29.035794 0.456885 -4.815797 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=215) 0 24.468961 1.778776 -6.164998 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=215) 0 24.751876 1.983286 -7.348028 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=216) 0 23.656928 2.593135 -5.489943 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=216) 0 23.459621 2.377186 -4.517953 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=216) 0 22.895811 3.688461 -6.101857 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=216) 0 22.376022 3.288908 -6.972883 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=216) 0 21.833920 4.172745 -5.112955 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=216) 0 21.176846 3.332980 -4.887618 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=216) 0 22.320487 4.488213 -4.189104 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=216) 0 20.996916 5.317281 -5.638220 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=216) 0 19.858478 5.048765 -6.412676 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=216) 0 19.565709 4.028284 -6.577858 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=216) 0 19.107017 6.098281 -6.965957 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=216) 0 18.232485 5.885312 -7.560032 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=216) 0 19.500223 7.425735 -6.742667 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=216) 0 18.936173 8.244910 -7.160331 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=216) 0 20.638365 7.695028 -5.969471 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=216) 0 20.939830 8.715052 -5.805449 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=216) 0 21.387114 6.647908 -5.412347 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=216) 0 22.270227 6.870672 -4.829999 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=216) 0 23.762667 4.858764 -6.589660 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=216) 0 24.672841 5.313845 -5.893149 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=217) 0 23.424634 5.393086 -7.763262 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=217) 0 22.607652 5.027373 -8.235872 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=217) 0 24.214835 6.379707 -8.506707 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=217) 0 25.188596 6.503270 -8.032911 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=217) 0 24.446972 5.850554 -9.929641 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=217) 0 23.478234 5.645302 -10.380413 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=217) 0 24.937609 6.619600 -10.525824 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=217) 0 25.295677 4.573145 -9.975731 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=217) 0 26.348995 4.849198 -9.916420 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=217) 0 25.067876 3.939410 -9.119759 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=217) 0 25.032667 3.771682 -11.252320 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=217) 0 25.176191 4.344088 -12.356482 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=217) 0 24.695121 2.567533 -11.142546 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=217) 0 23.529536 7.755089 -8.567491 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=217) 0 22.364216 7.866593 -8.972044 L N-N--0.415700(PDBName=N,ResName=GLY,ResNum=218) 0 24.273370 8.806258 -8.221823 L H-H-0.271900(PDBName=H,ResName=GLY,ResNum=218) 0 25.194017 8.638648 -7.834309 L C-CT--0.025200(PDBName=CA,ResName=GLY,ResNum=218) 0 23.814026 10.193792 -8.291644 L H-H1-0.069800(PDBName=HA2,ResName=GLY,ResNum=218) 0 24.674676 10.862246 -8.288993 L H-H1-0.069800(PDBName=HA3,ResName=GLY,ResNum=218) 0 23.281325 10.336177 -9.230025 L C-C-0.597300(PDBName=C,ResName=GLY,ResNum=218) 0 22.894422 10.604027 -7.141956 L O-O--0.567900(PDBName=O,ResName=GLY,ResNum=218) 0 22.951525 10.042801 -6.048276 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=219) 0 22.050336 11.605146 -7.375364 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=219) 0 22.011968 11.996976 -8.310671 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=219) 0 21.180644 12.189286 -6.352821 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=219) 0 21.782400 12.350740 -5.458619 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=219) 0 20.695367 13.558247 -6.826821 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=219) 0 21.578210 14.158843 -7.040124 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=219) 0 20.116230 13.438972 -7.743412 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=219) 0 19.836887 14.289709 -5.787563 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=219) 0 18.807842 13.933167 -5.848785 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=219) 0 20.213265 14.058972 -4.788576 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=219) 0 19.878787 15.807209 -5.992047 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=219) 0 19.944058 16.280805 -7.154215 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=219) 0 19.923287 16.531037 -4.966658 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=219) 0 20.006746 11.276949 -5.981839 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=219) 0 19.242396 10.824954 -6.841216 L N-N--0.415700(PDBName=N,ResName=VAL,ResNum=220) 0 19.843147 11.022024 -4.682183 L H-H-0.271900(PDBName=H,ResName=VAL,ResNum=220) 0 20.493905 11.446132 -4.025388 L C-CT--0.087500(PDBName=CA,ResName=VAL,ResNum=220) 0 18.788182 10.144356 -4.162723 L H-H1-0.096900(PDBName=HA,ResName=VAL,ResNum=220) 0 18.724156 9.259664 -4.793598 L C-CT-0.298500(PDBName=CB,ResName=VAL,ResNum=220) 0 19.096008 9.673808 -2.730403 L H-HC--0.029700(PDBName=HB,ResName=VAL,ResNum=220) 0 19.058911 10.537232 -2.075523 L C-CT--0.319200(PDBName=CG1,ResName=VAL,ResNum=220) 0 18.060020 8.646804 -2.262841 L H-HC-0.079100(PDBName=HG11,ResName=VAL,ResNum=220) 0 18.127585 7.754639 -2.884267 L H-HC-0.079100(PDBName=HG12,ResName=VAL,ResNum=220) 0 18.247491 8.380569 -1.225382 L H-HC-0.079100(PDBName=HG13,ResName=VAL,ResNum=220) 0 17.052866 9.059227 -2.316834 L C-CT--0.319200(PDBName=CG2,ResName=VAL,ResNum=220) 0 20.475776 9.021436 -2.583541 L H-HC-0.079100(PDBName=HG21,ResName=VAL,ResNum=220) 0 21.257437 9.720187 -2.877398 L H-HC-0.079100(PDBName=HG22,ResName=VAL,ResNum=220) 0 20.647612 8.748561 -1.543242 L H-HC-0.079100(PDBName=HG23,ResName=VAL,ResNum=220) 0 20.539128 8.128226 -3.201066 L C-C-0.597300(PDBName=C,ResName=VAL,ResNum=220) 0 17.443818 10.867219 -4.213021 L O-O--0.567900(PDBName=O,ResName=VAL,ResNum=220) 0 17.155692 11.713500 -3.366577 L N-N--0.415700(PDBName=N,ResName=THR,ResNum=221) 0 16.598545 10.504773 -5.175122 L H-H-0.271900(PDBName=H,ResName=THR,ResNum=221) 0 16.913241 9.839543 -5.865024 L C-CT--0.038900(PDBName=CA,ResName=THR,ResNum=221) 0 15.196768 10.944242 -5.251710 L H-H1-0.100700(PDBName=HA,ResName=THR,ResNum=221) 0 14.940124 11.410734 -4.309453 L C-CT-0.365400(PDBName=CB,ResName=THR,ResNum=221) 0 14.933067 12.003135 -6.339331 L H-H1-0.004300(PDBName=HB,ResName=THR,ResNum=221) 0 14.072663 12.575473 -6.004554 L C-CT--0.243800(PDBName=CG2,ResName=THR,ResNum=221) 0 16.077934 12.985881 -6.572954 L H-HC-0.064200(PDBName=HG21,ResName=THR,ResNum=221) 0 16.947146 12.467598 -6.973541 L H-HC-0.064200(PDBName=HG22,ResName=THR,ResNum=221) 0 15.763957 13.748169 -7.285896 L H-HC-0.064200(PDBName=HG23,ResName=THR,ResNum=221) 0 16.345610 13.465888 -5.632128 L O-OH--0.676100(PDBName=OG1,ResName=THR,ResNum=221) 0 14.585135 11.432132 -7.579139 L H-HO-0.410200(PDBName=HG1,ResName=THR,ResNum=221) 0 13.714415 11.828316 -7.797021 L C-C-0.597300(PDBName=C,ResName=THR,ResNum=221) 0 14.272027 9.744769 -5.429128 L O-O--0.567900(PDBName=O,ResName=THR,ResNum=221) 0 14.723662 8.697802 -5.896919 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=222) 0 12.977758 9.878078 -5.106336 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=222) 0 12.671504 10.744007 -4.670189 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=222) 0 11.967775 8.848852 -5.405165 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=222) 0 12.192829 7.957300 -4.823767 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=222) 0 10.568147 9.357623 -5.011100 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=222) 0 10.548105 9.518301 -3.932924 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=222) 0 10.379563 10.313897 -5.503999 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=222) 0 9.453975 8.366039 -5.402096 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=222) 0 9.451361 8.236923 -6.484260 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=222) 0 9.644476 7.401175 -4.935255 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=222) 0 8.066667 8.865161 -4.988933 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=222) 0 7.993744 8.892129 -3.904467 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=222) 0 7.942868 9.872318 -5.378646 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=222) 0 6.967054 7.956532 -5.553938 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=222) 0 6.990925 8.017655 -6.645759 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=222) 0 7.187800 6.926252 -5.266962 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=222) 0 5.619128 8.335793 -5.060916 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=222) 0 5.418601 9.313598 -5.264673 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=222) 0 4.894881 7.752739 -5.482744 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=222) 0 5.541999 8.196969 -4.056741 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=222) 0 12.022857 8.445182 -6.878267 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=222) 0 12.077635 7.261410 -7.188097 L N-N--0.516300(PDBName=N,ResName=GLU,ResNum=223) 0 12.063706 9.423740 -7.776356 L H-H-0.293600(PDBName=H,ResName=GLU,ResNum=223) 0 12.088665 10.380169 -7.437225 L C-CT-0.039700(PDBName=CA,ResName=GLU,ResNum=223) 0 12.085793 9.206933 -9.223270 L H-H1-0.110500(PDBName=HA,ResName=GLU,ResNum=223) 0 11.222938 8.599631 -9.502074 L C-CT-0.056000(PDBName=CB,ResName=GLU,ResNum=223) 0 11.983706 10.550650 -9.965383 L H-HC--0.017300(PDBName=HB2,ResName=GLU,ResNum=223) 0 12.897015 11.131043 -9.831708 L H-HC--0.017300(PDBName=HB3,ResName=GLU,ResNum=223) 0 11.897570 10.324910 -11.026017 L C-CT-0.013600(PDBName=CG,ResName=GLU,ResNum=223) 0 10.762126 11.398942 -9.567817 L H-HC--0.042500(PDBName=HG2,ResName=GLU,ResNum=223) 0 10.531972 12.058882 -10.403228 L H-HC--0.042500(PDBName=HG3,ResName=GLU,ResNum=223) 0 9.901600 10.739742 -9.433947 L C-C-0.805400(PDBName=CD,ResName=GLU,ResNum=223) 0 10.942686 12.267359 -8.308785 L O-O2--0.818800(PDBName=OE1,ResName=GLU,ResNum=223) 0 12.024914 12.261493 -7.673388 L O-O2--0.818800(PDBName=OE2,ResName=GLU,ResNum=223) 0 9.962465 12.955482 -7.923631 L C-C-0.536600(PDBName=C,ResName=GLU,ResNum=223) 0 13.342115 8.440350 -9.659398 L O-O--0.581900(PDBName=O,ResName=GLU,ResNum=223) 0 13.231051 7.399066 -10.310324 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=224) 0 14.523432 8.893615 -9.224209 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=224) 0 14.538081 9.744087 -8.669590 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=224) 0 15.800705 8.247389 -9.527424 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=224) 0 15.883063 8.116396 -10.608379 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=224) 0 16.949768 9.149394 -9.041408 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=224) 0 16.786913 9.423289 -7.999576 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=224) 0 17.881526 8.590699 -9.111292 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=224) 0 17.152726 10.410041 -9.859458 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=224) 0 16.709612 10.533034 -10.995186 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=224) 0 17.910320 11.347576 -9.341389 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=224) 0 18.073224 12.194253 -9.864806 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=224) 0 18.343410 11.203424 -8.432348 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=224) 0 15.917645 6.847316 -8.904277 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=224) 0 16.563365 5.978967 -9.484650 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=225) 0 15.301575 6.600080 -7.743915 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=225) 0 14.825287 7.369247 -7.282231 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=225) 0 15.270315 5.282875 -7.100173 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=225) 0 16.264653 4.850320 -7.140946 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=225) 0 14.852827 5.435480 -5.633030 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=225) 0 14.011566 6.126807 -5.578678 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=225) 0 14.512745 4.469893 -5.255101 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=225) 0 15.996319 5.931616 -4.736890 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=225) 0 16.504145 6.781432 -5.192565 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=225) 0 15.409783 6.351873 -3.395782 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=225) 0 14.822196 5.530646 -2.992352 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=225) 0 16.202192 6.603461 -2.696410 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=225) 0 14.767620 7.222634 -3.533142 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=225) 0 17.009511 4.817999 -4.465205 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=225) 0 17.364118 4.382502 -5.394470 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=225) 0 17.868439 5.237737 -3.945423 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=225) 0 16.549940 4.032860 -3.867451 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=225) 0 14.348221 4.302443 -7.822851 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=225) 0 14.723866 3.146519 -8.014088 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=226) 0 13.180089 4.763719 -8.271762 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=226) 0 12.919849 5.721651 -8.055072 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=226) 0 12.297162 3.979338 -9.131040 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=226) 0 12.074200 3.032035 -8.640710 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=226) 0 10.981844 4.752746 -9.346152 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=226) 0 11.234935 5.750045 -9.696427 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=226) 0 10.401656 4.258727 -10.126830 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=226) 0 10.092613 4.901758 -8.094196 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=226) 0 10.678847 5.264900 -7.255304 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=226) 0 8.962769 5.895426 -8.366496 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=226) 0 8.341174 5.534925 -9.188129 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=226) 0 8.347577 6.006383 -7.475940 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=226) 0 9.384709 6.863469 -8.635247 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=226) 0 9.460107 3.585953 -7.664025 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=226) 0 10.237108 2.873391 -7.396710 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=226) 0 8.829759 3.749864 -6.791528 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=226) 0 8.849205 3.189276 -8.475555 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=226) 0 13.007846 3.633621 -10.451933 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=226) 0 12.965688 2.481345 -10.872413 L N-N--0.516300(PDBName=N,ResName=ASP,ResNum=227) 0 13.732773 4.570759 -11.073472 L H-H-0.293600(PDBName=H,ResName=ASP,ResNum=227) 0 13.727783 5.515256 -10.698380 L C-CT-0.038100(PDBName=CA,ResName=ASP,ResNum=227) 0 14.558510 4.285302 -12.259887 L H-H1-0.088000(PDBName=HA,ResName=ASP,ResNum=227) 0 13.934801 3.811813 -13.017494 L C-CT--0.030300(PDBName=CB,ResName=ASP,ResNum=227) 0 15.114771 5.588353 -12.851635 L H-HC--0.012200(PDBName=HB2,ResName=ASP,ResNum=227) 0 15.612378 6.163510 -12.069793 L H-HC--0.012200(PDBName=HB3,ResName=ASP,ResNum=227) 0 15.857620 5.336980 -13.608871 L C-C-0.799400(PDBName=CG,ResName=ASP,ResNum=227) 0 14.035767 6.438092 -13.519237 L O-O2--0.801400(PDBName=OD1,ResName=ASP,ResNum=227) 0 13.264333 5.899193 -14.349753 L O-O2--0.801400(PDBName=OD2,ResName=ASP,ResNum=227) 0 13.950749 7.653294 -13.232984 L C-C-0.536600(PDBName=C,ResName=ASP,ResNum=227) 0 15.701336 3.298727 -11.959555 L O-O--0.581900(PDBName=O,ResName=ASP,ResNum=227) 0 15.875501 2.311231 -12.667940 L N-N--0.415700(PDBName=N,ResName=PHE,ResNum=228) 0 16.446258 3.491778 -10.872185 L H-H-0.271900(PDBName=H,ResName=PHE,ResNum=228) 0 16.294269 4.339127 -10.334069 L C-CT--0.002400(PDBName=CA,ResName=PHE,ResNum=228) 0 17.491774 2.566404 -10.418121 L H-H1-0.097800(PDBName=HA,ResName=PHE,ResNum=228) 0 18.281786 2.528731 -11.168435 L C-CT--0.034300(PDBName=CB,ResName=PHE,ResNum=228) 0 18.073113 3.142353 -9.124881 L H-HC-0.029500(PDBName=HB2,ResName=PHE,ResNum=228) 0 18.719771 3.980070 -9.385336 L H-HC-0.029500(PDBName=HB3,ResName=PHE,ResNum=228) 0 17.255942 3.550619 -8.537820 L C-CA-0.011800(PDBName=CG,ResName=PHE,ResNum=228) 0 18.839984 2.198895 -8.222801 L C-CA--0.125600(PDBName=CD1,ResName=PHE,ResNum=228) 0 20.164127 1.834069 -8.528775 L H-HA-0.133000(PDBName=HD1,ResName=PHE,ResNum=228) 0 20.616117 2.146406 -9.459913 L C-CA--0.170400(PDBName=CE1,ResName=PHE,ResNum=228) 0 20.916467 1.090076 -7.603354 L H-HA-0.143000(PDBName=HE1,ResName=PHE,ResNum=228) 0 21.934882 0.811287 -7.834641 L C-CA--0.107200(PDBName=CZ,ResName=PHE,ResNum=228) 0 20.360242 0.744686 -6.360587 L H-HA-0.129700(PDBName=HZ,ResName=PHE,ResNum=228) 0 20.956493 0.215296 -5.634484 L C-CA--0.170400(PDBName=CE2,ResName=PHE,ResNum=228) 0 19.031970 1.090221 -6.060857 L H-HA-0.143000(PDBName=HE2,ResName=PHE,ResNum=228) 0 18.604239 0.821361 -5.105432 L C-CA--0.125600(PDBName=CD2,ResName=PHE,ResNum=228) 0 18.264323 1.796843 -7.000765 L H-HA-0.133000(PDBName=HD2,ResName=PHE,ResNum=228) 0 17.247614 2.077613 -6.760589 L C-C-0.597300(PDBName=C,ResName=PHE,ResNum=228) 0 16.974861 1.129879 -10.232855 L O-O--0.567900(PDBName=O,ResName=PHE,ResNum=228) 0 17.680404 0.183172 -10.581425 L N-N--0.415700(PDBName=N,ResName=ILE,ResNum=229) 0 15.732309 0.959881 -9.771988 L H-H-0.271900(PDBName=H,ResName=ILE,ResNum=229) 0 15.229435 1.789311 -9.469204 L C-CT--0.059700(PDBName=CA,ResName=ILE,ResNum=229) 0 15.034787 -0.332306 -9.710030 L H-H1-0.086900(PDBName=HA,ResName=ILE,ResNum=229) 0 15.696115 -1.059074 -9.239130 L C-CT-0.130300(PDBName=CB,ResName=ILE,ResNum=229) 0 13.780558 -0.177030 -8.813024 L H-HC-0.018700(PDBName=HB,ResName=ILE,ResNum=229) 0 13.261714 0.732836 -9.108653 L C-CT--0.320400(PDBName=CG2,ResName=ILE,ResNum=229) 0 12.768934 -1.332305 -8.918466 L H-HC-0.088200(PDBName=HG21,ResName=ILE,ResNum=229) 0 13.165743 -2.218847 -8.433017 L H-HC-0.088200(PDBName=HG22,ResName=ILE,ResNum=229) 0 11.844068 -1.058098 -8.411941 L H-HC-0.088200(PDBName=HG23,ResName=ILE,ResNum=229) 0 12.529611 -1.559504 -9.956178 L C-CT--0.043000(PDBName=CG1,ResName=ILE,ResNum=229) 0 14.237234 -0.026826 -7.342454 L H-HC-0.023600(PDBName=HG12,ResName=ILE,ResNum=229) 0 14.575676 -0.991391 -6.965368 L H-HC-0.023600(PDBName=HG13,ResName=ILE,ResNum=229) 0 15.079719 0.660713 -7.281094 L C-CT--0.066000(PDBName=CD1,ResName=ILE,ResNum=229) 0 13.152383 0.505293 -6.406418 L H-HC-0.018600(PDBName=HD11,ResName=ILE,ResNum=229) 0 12.374250 -0.244391 -6.266419 L H-HC-0.018600(PDBName=HD12,ResName=ILE,ResNum=229) 0 13.608104 0.729067 -5.442315 L H-HC-0.018600(PDBName=HD13,ResName=ILE,ResNum=229) 0 12.718728 1.419669 -6.812332 L C-C-0.597300(PDBName=C,ResName=ILE,ResNum=229) 0 14.750479 -0.859149 -11.128924 L O-O--0.567900(PDBName=O,ResName=ILE,ResNum=229) 0 15.166586 -1.977768 -11.453285 L N-N--0.347900(PDBName=N,ResName=LYS,ResNum=230) 0 14.131487 -0.054359 -12.006885 L H-H-0.274700(PDBName=H,ResName=LYS,ResNum=230) 0 13.863091 0.874797 -11.690612 L C-CT--0.240000(PDBName=CA,ResName=LYS,ResNum=230) 0 13.870338 -0.410076 -13.421526 L H-H1-0.142600(PDBName=HA,ResName=LYS,ResNum=230) 0 13.163486 -1.240517 -13.465961 L C-CT--0.009400(PDBName=CB,ResName=LYS,ResNum=230) 0 13.266262 0.791378 -14.173835 L H-HC-0.036200(PDBName=HB2,ResName=LYS,ResNum=230) 0 13.951925 1.632520 -14.092975 L H-HC-0.036200(PDBName=HB3,ResName=LYS,ResNum=230) 0 13.189834 0.540584 -15.232942 L C-CT-0.018700(PDBName=CG,ResName=LYS,ResNum=230) 0 11.871653 1.219029 -13.684709 L H-HC-0.010300(PDBName=HG2,ResName=LYS,ResNum=230) 0 11.147145 0.473343 -13.990894 L H-HC-0.010300(PDBName=HG3,ResName=LYS,ResNum=230) 0 11.848877 1.257361 -12.601381 L C-CT--0.047900(PDBName=CD,ResName=LYS,ResNum=230) 0 11.460726 2.578865 -14.272927 L H-HC-0.062100(PDBName=HD2,ResName=LYS,ResNum=230) 0 12.343591 3.086708 -14.656967 L H-HC-0.062100(PDBName=HD3,ResName=LYS,ResNum=230) 0 10.771116 2.411922 -15.100444 L C-CT--0.014300(PDBName=CE,ResName=LYS,ResNum=230) 0 10.796553 3.494864 -13.240889 L H-HP-0.113500(PDBName=HE2,ResName=LYS,ResNum=230) 0 9.793051 3.121051 -13.013239 L H-HP-0.113500(PDBName=HE3,ResName=LYS,ResNum=230) 0 11.387559 3.470448 -12.324882 L N-N3--0.385400(PDBName=NZ,ResName=LYS,ResNum=230) 0 10.728919 4.887197 -13.742145 L H-H-0.340000(PDBName=HZ1,ResName=LYS,ResNum=230) 0 10.107545 4.957233 -14.544233 L H-H-0.340000(PDBName=HZ2,ResName=LYS,ResNum=230) 0 10.423962 5.535838 -13.019665 L H-H-0.340000(PDBName=HZ3,ResName=LYS,ResNum=230) 0 11.647925 5.222111 -14.032532 L C-C-0.734100(PDBName=C,ResName=LYS,ResNum=230) 0 15.134980 -0.863729 -14.165201 L O-O--0.589400(PDBName=O,ResName=LYS,ResNum=230) 0 15.047451 -1.743969 -15.018875 L N-N--0.415700(PDBName=N,ResName=HID,ResNum=231) 0 16.299992 -0.310157 -13.826397 L H-H-0.271900(PDBName=H,ResName=HID,ResNum=231) 0 16.255211 0.481085 -13.193317 L C-CT-0.018800(PDBName=CA,ResName=HID,ResNum=231) 0 17.574598 -0.567455 -14.506988 L H-H1-0.088100(PDBName=HA,ResName=HID,ResNum=231) 0 17.356768 -1.027578 -15.471764 L C-CT--0.046200(PDBName=CB,ResName=HID,ResNum=231) 0 18.252107 0.782591 -14.816938 L H-HC-0.040200(PDBName=HB2,ResName=HID,ResNum=231) 0 18.506521 1.278102 -13.878760 L H-HC-0.040200(PDBName=HB3,ResName=HID,ResNum=231) 0 19.176790 0.601014 -15.365638 L C-CC--0.026600(PDBName=CG,ResName=HID,ResNum=231) 0 17.397754 1.709978 -15.654161 L N-NA--0.381100(PDBName=ND1,ResName=HID,ResNum=231) 0 16.883555 1.438080 -16.900205 L H-H-0.364900(PDBName=HD1,ResName=HID,ResNum=231) 0 17.100691 0.625794 -17.474206 L C-CR-0.205700(PDBName=CE1,ResName=HID,ResNum=231) 0 16.140629 2.485202 -17.289449 L H-H5-0.139200(PDBName=HE1,ResName=HID,ResNum=231) 0 15.620602 2.553211 -18.237057 L N-NB--0.572700(PDBName=NE2,ResName=HID,ResNum=231) 0 16.154224 3.449907 -16.350699 L C-CV-0.129200(PDBName=CD2,ResName=HID,ResNum=231) 0 16.972437 2.967845 -15.319822 L H-H4-0.114700(PDBName=HD2,ResName=HID,ResNum=231) 0 17.219573 3.493176 -14.409093 L C-C-0.597300(PDBName=C,ResName=HID,ResNum=231) 0 18.515678 -1.564791 -13.788298 L O-O--0.567900(PDBName=O,ResName=HID,ResNum=231) 0 19.645313 -1.747613 -14.251952 L N-N--0.415700(PDBName=N,ResName=ASN,ResNum=232) 0 18.111725 -2.213352 -12.677953 L H-H-0.271900(PDBName=H,ResName=ASN,ResNum=232) 0 17.190489 -2.005000 -12.313854 L C-CT-0.014300(PDBName=CA,ResName=ASN,ResNum=232) 0 18.985249 -3.163077 -11.948847 L H-H1-0.104800(PDBName=HA,ResName=ASN,ResNum=232) 0 19.736258 -3.539454 -12.647331 L C-CT--0.204100(PDBName=CB,ResName=ASN,ResNum=232) 0 19.746851 -2.416111 -10.832632 L H-HC-0.079700(PDBName=HB2,ResName=ASN,ResNum=232) 0 19.042293 -1.924395 -10.167015 L H-HC-0.079700(PDBName=HB3,ResName=ASN,ResNum=232) 0 20.305851 -3.143829 -10.246392 L C-C-0.713000(PDBName=CG,ResName=ASN,ResNum=232) 0 20.756748 -1.401991 -11.352073 L O-O--0.593100(PDBName=OD1,ResName=ASN,ResNum=232) 0 21.863658 -1.743464 -11.739789 L N-N--0.919100(PDBName=ND2,ResName=ASN,ResNum=232) 0 20.425843 -0.136682 -11.392442 L H-H-0.419600(PDBName=HD21,ResName=ASN,ResNum=232) 0 21.136359 0.512830 -11.713964 L H-H-0.419600(PDBName=HD22,ResName=ASN,ResNum=232) 0 19.500599 0.139273 -11.084774 L C-C-0.597300(PDBName=C,ResName=ASN,ResNum=232) 0 18.320224 -4.448857 -11.389943 L O-O--0.567900(PDBName=O,ResName=ASN,ResNum=232) 0 19.006378 -5.471575 -11.312342 L N-N--0.415700(PDBName=N,ResName=GLN,ResNum=233) 0 17.031287 -4.462230 -11.011956 L H-H-0.271900(PDBName=H,ResName=GLN,ResNum=233) 0 16.483285 -3.620045 -11.133971 L C-CT--0.003100(PDBName=CA,ResName=GLN,ResNum=233) 0 16.323260 -5.722128 -10.665273 L H-H1-0.085000(PDBName=HA,ResName=GLN,ResNum=233) 0 17.066645 -6.445385 -10.334971 L C-CT--0.003600(PDBName=CB,ResName=GLN,ResNum=233) 0 15.403126 -5.554317 -9.445813 L H-HC-0.017100(PDBName=HB2,ResName=GLN,ResNum=233) 0 14.900428 -6.499091 -9.267059 L H-HC-0.017100(PDBName=HB3,ResName=GLN,ResNum=233) 0 16.048377 -5.382398 -8.587695 L C-CT--0.064500(PDBName=CG,ResName=GLN,ResNum=233) 0 14.348919 -4.443190 -9.439041 L H-HC-0.035200(PDBName=HG2,ResName=GLN,ResNum=233) 0 13.966338 -4.348779 -8.425135 L H-HC-0.035200(PDBName=HG3,ResName=GLN,ResNum=233) 0 14.821048 -3.498498 -9.669977 L C-C-0.695100(PDBName=CD,ResName=GLN,ResNum=233) 0 13.154331 -4.696961 -10.350283 L O-O--0.608600(PDBName=OE1,ResName=GLN,ResNum=233) 0 12.201815 -5.362221 -9.960408 L N-N--0.940700(PDBName=NE2,ResName=GLN,ResNum=233) 0 13.169963 -4.176945 -11.557691 L H-H-0.425100(PDBName=HE21,ResName=GLN,ResNum=233) 0 13.938690 -3.592348 -11.857776 L H-H-0.425100(PDBName=HE22,ResName=GLN,ResNum=233) 0 12.389804 -4.334216 -12.184834 L C-C-0.597300(PDBName=C,ResName=GLN,ResNum=233) 0 15.684703 -6.390670 -11.897256 L O-O--0.567900(PDBName=O,ResName=GLN,ResNum=233) 0 16.050826 -6.027950 -13.006068 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=234) 0 14.822211 -7.405394 -11.752900 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=234) 0 14.562946 -7.717291 -10.827912 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=234) 0 14.096499 -8.024337 -12.876623 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=234) 0 13.818549 -7.232592 -13.571637 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=234) 0 15.027148 -9.031012 -13.593756 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=234) 0 16.019572 -8.597330 -13.714816 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=234) 0 15.121341 -9.908140 -12.954848 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=234) 0 14.541406 -9.501688 -14.977308 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=234) 0 13.487036 -9.745231 -14.932775 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=234) 0 14.748049 -8.440107 -16.058025 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=234) 0 15.809625 -8.263162 -16.215123 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=234) 0 14.303752 -8.785020 -16.991756 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=234) 0 14.267935 -7.505072 -15.773191 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=234) 0 15.311049 -10.753504 -15.399762 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=234) 0 15.116028 -11.554335 -14.684989 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=234) 0 14.963588 -11.081797 -16.379425 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=234) 0 16.380695 -10.552119 -15.436944 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=234) 0 12.826565 -8.752966 -12.374223 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=234) 0 12.915090 -9.427890 -11.344975 L N-N--0.254800(PDBName=N,ResName=PRO,ResNum=235) 0 11.676998 -8.661102 -13.072238 L C-CT-0.019200(PDBName=CD,ResName=PRO,ResNum=235) 0 11.384487 -7.713200 -14.142510 L H-H1-0.039100(PDBName=HD2,ResName=PRO,ResNum=235) 0 12.108241 -7.784099 -14.953030 L H-H1-0.039100(PDBName=HD3,ResName=PRO,ResNum=235) 0 11.372033 -6.700905 -13.735598 L C-CT-0.018900(PDBName=CG,ResName=PRO,ResNum=235) 0 9.993266 -8.074774 -14.663913 L H-HC-0.021300(PDBName=HG2,ResName=PRO,ResNum=235) 0 10.082552 -8.788547 -15.484568 L H-HC-0.021300(PDBName=HG3,ResName=PRO,ResNum=235) 0 9.436207 -7.194590 -14.982887 L C-CT--0.007000(PDBName=CB,ResName=PRO,ResNum=235) 0 9.343389 -8.752629 -13.459448 L H-HC-0.025300(PDBName=HB2,ResName=PRO,ResNum=235) 0 8.515864 -9.400632 -13.752250 L H-HC-0.025300(PDBName=HB3,ResName=PRO,ResNum=235) 0 9.004410 -8.001790 -12.752685 L C-CT--0.026600(PDBName=CA,ResName=PRO,ResNum=235) 0 10.510002 -9.516763 -12.836419 L H-H1-0.064100(PDBName=HA,ResName=PRO,ResNum=235) 0 10.334806 -9.639988 -11.767451 L C-C-0.589600(PDBName=C,ResName=PRO,ResNum=235) 0 10.649077 -10.906207 -13.481053 L O-O--0.574800(PDBName=O,ResName=PRO,ResNum=235) 0 11.522004 -11.130863 -14.316380 L N-N--0.415700(PDBName=N,ResName=LEU,ResNum=236) 0 9.745903 -11.823822 -13.126406 L H-H-0.271900(PDBName=H,ResName=LEU,ResNum=236) 0 9.008725 -11.549079 -12.494579 L C-CT--0.051800(PDBName=CA,ResName=LEU,ResNum=236) 0 9.583429 -13.138378 -13.758810 L H-H1-0.092200(PDBName=HA,ResName=LEU,ResNum=236) 0 10.218553 -13.204045 -14.643017 L C-CT--0.110200(PDBName=CB,ResName=LEU,ResNum=236) 0 9.969876 -14.271151 -12.783192 L H-HC-0.045700(PDBName=HB2,ResName=LEU,ResNum=236) 0 9.385001 -14.164201 -11.868558 L H-HC-0.045700(PDBName=HB3,ResName=LEU,ResNum=236) 0 9.655900 -15.210353 -13.241577 L C-CT-0.353100(PDBName=CG,ResName=LEU,ResNum=236) 0 11.453149 -14.453005 -12.400868 L H-HC--0.036100(PDBName=HG,ResName=LEU,ResNum=236) 0 11.514718 -15.417438 -11.901203 L C-CT--0.412100(PDBName=CD1,ResName=LEU,ResNum=236) 0 12.385981 -14.523728 -13.610125 L H-HC-0.100000(PDBName=HD11,ResName=LEU,ResNum=236) 0 12.442955 -13.554612 -14.103863 L H-HC-0.100000(PDBName=HD12,ResName=LEU,ResNum=236) 0 13.383981 -14.811749 -13.280254 L H-HC-0.100000(PDBName=HD13,ResName=LEU,ResNum=236) 0 12.016412 -15.269052 -14.314045 L C-CT--0.412100(PDBName=CD2,ResName=LEU,ResNum=236) 0 11.985069 -13.408222 -11.414188 L H-HC-0.100000(PDBName=HD21,ResName=LEU,ResNum=236) 0 11.309978 -13.330517 -10.562940 L H-HC-0.100000(PDBName=HD22,ResName=LEU,ResNum=236) 0 12.968918 -13.712015 -11.059455 L H-HC-0.100000(PDBName=HD23,ResName=LEU,ResNum=236) 0 12.090229 -12.440047 -11.895435 L C-C-0.597300(PDBName=C,ResName=LEU,ResNum=236) 0 8.131370 -13.310829 -14.240357 L O-O--0.567900(PDBName=O,ResName=LEU,ResNum=236) 0 7.218908 -12.711435 -13.665784 L N-N--0.382100(PDBName=N,ResName=VAL,ResNum=237) 0 7.934914 -14.126754 -15.282047 L H-H-0.268100(PDBName=H,ResName=VAL,ResNum=237) 0 8.727243 -14.618455 -15.677368 L C-CT--0.343800(PDBName=CA,ResName=VAL,ResNum=237) 0 6.644063 -14.496417 -15.896819 L H-H1-0.143800(PDBName=HA,ResName=VAL,ResNum=237) 0 5.902297 -14.624643 -15.112279 L C-CT-0.194000(PDBName=CB,ResName=VAL,ResNum=237) 0 6.163894 -13.381495 -16.846097 L H-HC-0.030800(PDBName=HB,ResName=VAL,ResNum=237) 0 6.154467 -12.448510 -16.279371 L C-CT--0.306400(PDBName=CG1,ResName=VAL,ResNum=237) 0 7.077609 -13.176066 -18.061331 L H-HC-0.083600(PDBName=HG11,ResName=VAL,ResNum=237) 0 6.716456 -12.341701 -18.660100 L H-HC-0.083600(PDBName=HG12,ResName=VAL,ResNum=237) 0 8.092047 -12.961822 -17.727651 L H-HC-0.083600(PDBName=HG13,ResName=VAL,ResNum=237) 0 7.093251 -14.080325 -18.670901 L C-CT--0.306400(PDBName=CG2,ResName=VAL,ResNum=237) 0 4.730502 -13.624765 -17.327343 L H-HC-0.083600(PDBName=HG21,ResName=VAL,ResNum=237) 0 4.080007 -13.771385 -16.465591 L H-HC-0.083600(PDBName=HG22,ResName=VAL,ResNum=237) 0 4.381062 -12.768470 -17.901665 L H-HC-0.083600(PDBName=HG23,ResName=VAL,ResNum=237) 0 4.694011 -14.519283 -17.950311 L C-C-0.835000(PDBName=C,ResName=VAL,ResNum=237) 0 6.758292 -15.858007 -16.586565 L O-O2--0.817300(PDBName=O,ResName=VAL,ResNum=237) 0 5.732621 -16.569435 -16.618684 L O-O2--0.817300(PDBName=OXT,ResName=VAL,ResNum=237) 0 7.887073 -16.176034 -17.026220 L C-C-1.004947(PDBName=C18,ResName=GDS,ResNum=238) 0 -24.736975 -15.786428 -11.199360 L H-H1 94 0.0000 O-O2--0.856478(PDBName=O5,ResName=GDS,ResNum=238) 0 -24.314521 -14.872771 -11.933690 L O-O2--0.856478(PDBName=O6,ResName=GDS,ResNum=238) 0 -25.358944 -15.689509 -10.124667 L C-CT-0.021774(PDBName=C10,ResName=GDS,ResNum=238) 0 -24.399107 -20.897065 -5.815925 L H-HC 101 0.0000 C-CT-0.090430(PDBName=C6,ResName=GDS,ResNum=238) 0 -25.087009 -22.175567 -5.342970 L C-C-0.795436(PDBName=C20,ResName=GDS,ResNum=238) 0 -24.207562 -22.881152 -4.285754 L O-O2--0.768529(PDBName=O7,ResName=GDS,ResNum=238) 0 -24.633851 -22.994231 -3.117310 L O-O2--0.768529(PDBName=O8,ResName=GDS,ResNum=238) 0 -23.096678 -23.354665 -4.624626 L N-N3--0.516764(PDBName=N6,ResName=GDS,ResNum=238) 0 -26.461390 -21.829750 -4.881072 L H-H-0.336685(PDBName=H23,ResName=GDS,ResNum=238) 0 -26.954854 -22.639872 -4.518021 L H-H-0.336685(PDBName=H24,ResName=GDS,ResNum=238) 0 -26.436834 -21.133569 -4.138916 L H-H-0.336685(PDBName=H26,ResName=GDS,ResNum=238) 0 -27.000681 -21.443995 -5.653382 L H-HP-0.075961(PDBName=H8,ResName=GDS,ResNum=238) 0 -25.172643 -22.851468 -6.193844 L H-HC-0.040870(PDBName=H15,ResName=GDS,ResNum=238) 0 -25.147299 -20.246934 -6.274987 L H-HC-0.040870(PDBName=H16,ResName=GDS,ResNum=238) 0 -24.010386 -20.394530 -4.937068 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=239) -1 -7.699563 -11.084737 -4.913368 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=239) -1 -7.274732 -10.412063 -5.520207 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=239) -1 -7.112448 -10.959042 -4.137101 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=240) -1 -6.147113 5.294888 9.706062 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=240) -1 -5.322880 5.686051 9.337879 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=240) -1 -5.915886 4.338509 9.628289 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=242) -1 17.181232 -10.524527 -2.611230 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=242) -1 16.264953 -10.847318 -2.745485 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=242) -1 17.217599 -10.540564 -1.630215 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=243) -1 -3.624952 4.600597 2.018821 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=243) -1 -4.016574 5.478158 2.242617 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=243) -1 -4.094832 4.046369 2.675036 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=244) -1 31.571623 -1.740549 14.938190 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=244) -1 30.690798 -1.860402 14.510693 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=244) -1 32.066209 -1.329322 14.198620 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=245) -1 -1.331873 3.733486 15.197284 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=245) -1 -1.318664 3.396637 14.263070 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=245) -1 -0.997348 2.927115 15.646696 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=246) -1 -11.277419 -21.037784 -0.532125 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=246) -1 -11.184170 -20.292300 0.097560 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=246) -1 -11.858213 -20.627458 -1.211947 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=248) -1 -12.784300 -22.764183 -3.078089 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=248) -1 -11.819911 -22.954773 -3.095977 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=248) -1 -12.753358 -21.807291 -2.827084 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=250) -1 -9.314405 -13.296133 -4.548207 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=250) -1 -8.752808 -12.516387 -4.740716 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=250) -1 -10.204664 -12.917413 -4.625425 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=251) -1 -15.496236 -11.537777 -11.582409 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=251) -1 -15.776153 -12.359859 -12.088732 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=251) -1 -16.186875 -11.552052 -10.895074 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=253) -1 -9.427271 -20.132953 -2.335933 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=253) -1 -9.219257 -19.299061 -1.856491 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=253) -1 -9.948681 -20.596815 -1.642513 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=255) -1 -14.276109 -9.780034 -13.109181 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=255) -1 -13.355935 -9.908584 -12.780032 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=255) -1 -14.723354 -10.477347 -12.547373 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=257) -1 -24.931138 -14.351289 -14.364669 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=257) -1 -24.271865 -13.615031 -14.483082 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=257) -1 -24.695882 -14.578668 -13.416884 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=258) -1 -14.564539 -24.714946 -3.018685 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=258) -1 -13.937594 -23.948295 -3.102669 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=258) -1 -15.248408 -24.417768 -3.669664 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=259) -1 -21.646109 -15.151341 -11.975306 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=259) -1 -22.611773 -14.977624 -12.018819 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=259) -1 -21.317545 -14.520598 -12.641737 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=260) -1 -22.890276 -23.889688 -1.404711 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=260) -1 -22.610715 -24.688119 -1.912729 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=260) -1 -23.557170 -23.534798 -2.057683 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=261) -1 -21.184265 -11.412198 -12.410407 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=261) -1 -20.336289 -11.029611 -12.095506 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=261) -1 -20.848599 -12.213104 -12.866920 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=262) -1 -25.710324 -13.068696 -10.792538 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=262) -1 -25.187058 -13.672214 -11.390356 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=262) -1 -25.558405 -13.550187 -9.948712 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=263) -1 -27.555814 -14.861771 -14.438238 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=263) -1 -26.582582 -14.670737 -14.391247 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=263) -1 -27.882600 -13.990010 -14.711612 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=264) -1 -18.009467 -12.518971 -14.454179 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=264) -1 -17.627689 -11.604943 -14.464063 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=264) -1 -17.381078 -12.924971 -13.792923 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=266) -1 -28.446283 -13.463996 -10.639425 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=266) -1 -27.555739 -13.090049 -10.832036 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=266) -1 -28.205738 -14.417696 -10.574243 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=267) -1 -29.563772 -16.029040 -8.427967 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=267) -1 -30.347123 -15.744762 -8.959557 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=267) -1 -28.886274 -16.001266 -9.152261 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=269) -1 -19.015288 -16.780186 6.805938 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=269) -1 -19.587266 -17.519996 6.561902 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=269) -1 -19.194483 -16.143082 6.089096 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=270) -1 7.609296 -2.917772 -12.487281 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=270) -1 8.035417 -3.013808 -11.605089 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=270) -1 7.639797 -3.857608 -12.782375 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=271) -1 -20.008640 -18.736648 3.053350 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=271) -1 -20.976869 -18.654381 2.986576 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=271) -1 -19.740319 -18.545890 2.130302 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=272) -1 30.278378 11.804165 -2.480515 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=272) -1 29.987745 12.203045 -3.340054 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=272) -1 29.405567 11.799691 -2.020269 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=273) -1 -16.267253 -16.633783 -16.839406 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=273) -1 -16.039435 -16.459259 -17.765882 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=273) -1 -16.743393 -15.785640 -16.623505 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=274) -1 25.216839 -4.607364 -12.804370 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=274) -1 25.151900 -5.432214 -12.268699 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=274) -1 24.276651 -4.338975 -12.815676 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=275) -1 -13.091792 27.083378 2.725288 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=275) -1 -12.329080 26.484096 2.570497 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=275) -1 -13.077769 27.120740 3.708649 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=276) -1 20.218581 -16.530561 -0.364291 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=276) -1 19.311998 -16.343445 0.009954 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=276) -1 20.754790 -16.250547 0.403885 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=277) -1 0.301687 -14.841432 -9.774029 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=277) -1 0.400464 -15.007482 -8.798886 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=277) -1 1.119519 -14.349533 -9.940971 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=278) -1 -27.609559 -10.235704 -8.449756 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=278) -1 -26.880803 -10.222400 -9.104406 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=278) -1 -27.672083 -9.273087 -8.245213 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=279) -1 25.560449 -9.806870 -16.769787 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=279) -1 24.848880 -9.126540 -16.706537 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=279) -1 25.038792 -10.599292 -16.481724 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=280) -1 19.787985 8.113582 -14.917073 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=280) -1 19.854975 9.107119 -14.934372 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=280) -1 19.982752 7.918670 -15.846931 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=281) -1 2.109156 -1.375275 -8.222332 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=281) -1 3.039615 -1.149045 -7.972487 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=281) -1 1.699199 -0.481665 -8.104088 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=282) -1 -21.050547 -3.216165 -17.615931 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=282) -1 -21.692241 -3.656708 -16.995643 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=282) -1 -21.369928 -3.562607 -18.461285 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=283) -1 -23.622558 23.146570 -4.622062 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=283) -1 -23.210065 23.114664 -5.510555 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=283) -1 -24.557159 22.959714 -4.857691 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=284) -1 -7.555197 -18.699433 11.403173 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=284) -1 -8.543614 -18.762200 11.355088 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=284) -1 -7.472757 -17.761961 11.697131 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=285) -1 -23.277241 21.602121 10.148493 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=285) -1 -23.036362 20.944636 9.452988 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=285) -1 -23.942412 21.106701 10.643515 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=286) -1 2.013957 8.602815 7.673591 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=286) -1 2.208206 8.131811 8.498745 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=286) -1 2.530080 8.052901 7.033647 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=287) -1 21.892831 12.518940 -2.947455 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=287) -1 22.068501 12.127222 -2.055827 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=287) -1 21.743161 13.455201 -2.675680 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=288) -1 -13.693844 24.048470 -16.049198 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=288) -1 -13.188390 23.554136 -16.710016 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=288) -1 -14.574011 24.104894 -16.491619 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=289) -1 -15.150193 17.103214 2.586777 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=289) -1 -15.918067 16.687258 3.052174 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=289) -1 -14.597409 17.333670 3.370925 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=291) -1 10.172884 19.402764 16.566481 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=291) -1 10.866756 19.214350 15.890140 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=291) -1 9.767666 18.532385 16.654869 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=292) -1 26.806224 1.400748 -9.907828 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=292) -1 27.491443 2.080883 -10.079420 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=292) -1 26.077079 1.742330 -10.473186 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=293) -1 -13.562740 7.171066 -12.222113 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=293) -1 -13.024217 6.574016 -12.792302 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=293) -1 -12.982189 7.193518 -11.421836 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=294) -1 -21.345192 -6.637347 15.745656 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=294) -1 -21.342419 -6.715075 14.759320 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=294) -1 -20.504662 -7.114144 15.939070 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=295) -1 -10.790664 15.167151 -6.424450 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=295) -1 -11.418487 14.774991 -7.085855 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=295) -1 -10.260783 14.350573 -6.234064 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=296) -1 -21.677096 2.331794 -11.368520 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=296) -1 -20.891711 2.540986 -11.934205 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=296) -1 -21.223544 1.882933 -10.621075 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=297) -1 -13.698599 8.939585 13.341875 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=297) -1 -14.325316 8.182232 13.415828 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=297) -1 -12.845920 8.444314 13.341865 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=298) -1 35.193127 -0.484161 11.337435 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=298) -1 35.131264 -0.584962 10.345720 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=298) -1 36.002936 -0.993284 11.498175 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=299) -1 19.340028 13.463379 -11.085675 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=299) -1 19.197543 14.160607 -11.745008 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=299) -1 19.241861 12.659891 -11.652451 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=301) -1 26.185203 -7.928833 -13.533434 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=301) -1 25.629350 -7.567691 -12.794351 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=301) -1 25.900146 -7.307339 -14.246603 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=302) -1 -10.096687 4.068413 15.262300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=302) -1 -9.382234 3.862409 14.609660 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=302) -1 -10.753645 4.473556 14.643546 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=303) -1 18.538073 3.146488 -22.768117 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=303) -1 18.731503 2.614771 -21.974846 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=303) -1 17.599367 3.372257 -22.614133 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=304) -1 -20.939067 13.087167 12.758996 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=304) -1 -21.342583 13.256255 11.864552 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=304) -1 -21.679986 13.344671 13.326984 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=305) -1 -18.913251 1.327618 10.652077 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=305) -1 -19.655637 1.949281 10.567396 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=305) -1 -18.163739 1.946007 10.768954 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=306) -1 7.397626 -3.592753 5.118767 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=306) -1 8.259710 -3.635668 4.653755 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=306) -1 6.807530 -3.442853 4.341262 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=307) -1 4.970358 -10.578332 10.878401 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=307) -1 4.432454 -9.751372 10.880977 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=307) -1 5.791589 -10.213118 10.451891 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=308) -1 12.566518 13.701205 -11.499616 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=308) -1 12.591708 12.999292 -12.189889 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=308) -1 13.501328 13.762324 -11.263936 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=309) -1 -10.248547 19.324131 -11.148744 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=309) -1 -10.367598 18.856282 -12.010746 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=309) -1 -10.206743 18.536700 -10.551508 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=310) -1 -10.496295 -1.099454 11.175500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=310) -1 -10.864205 -1.734233 11.822156 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=310) -1 -9.731564 -0.752042 11.687513 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=311) -1 23.919020 15.382404 -6.578761 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=311) -1 23.560101 16.223510 -6.961176 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=311) -1 23.489999 15.454916 -5.681515 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=312) -1 -11.768376 14.424611 -0.382267 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=312) -1 -12.469974 15.003505 0.015538 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=312) -1 -12.342032 13.638306 -0.582096 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=313) -1 0.427973 -3.807455 14.613653 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=313) -1 0.592175 -4.382991 15.395514 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=313) -1 1.325713 -3.419010 14.505402 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=314) -1 -26.160629 -7.778944 -10.418257 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=314) -1 -26.655835 -7.710845 -9.575923 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=314) -1 -25.903383 -8.723390 -10.397769 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=315) -1 -19.306275 14.456819 -2.521624 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=315) -1 -19.536405 13.566809 -2.893116 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=315) -1 -18.923642 14.858994 -3.339279 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=316) -1 19.643384 -18.822224 -1.673673 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=316) -1 19.879139 -17.994639 -1.189706 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=316) -1 20.314635 -19.429007 -1.332524 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=317) -1 -21.899365 -16.789138 5.472917 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=317) -1 -21.192082 -16.172002 5.203212 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=317) -1 -22.207138 -16.386365 6.296429 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=318) -1 -13.550337 5.164841 11.450084 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=318) -1 -13.253092 5.984225 10.980672 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=318) -1 -14.193683 4.825229 10.769888 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=319) -1 29.265144 12.940037 -4.795754 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=319) -1 30.111324 12.966349 -5.310660 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=319) -1 28.659605 12.642610 -5.515905 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=320) -1 -18.279904 26.264037 3.141492 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=320) -1 -18.174792 25.303828 2.990539 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=320) -1 -17.374762 26.507784 3.424890 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=321) -1 -20.186692 29.158080 -3.384622 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=321) -1 -19.962917 29.411267 -4.310055 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=321) -1 -20.411215 30.019593 -3.008351 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=322) -1 23.790130 6.325135 -13.268629 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=322) -1 24.375752 5.561117 -12.992287 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=322) -1 22.923569 5.925929 -13.018822 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=323) -1 25.105331 -14.029770 -14.220390 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=323) -1 24.168638 -14.124245 -13.911947 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=323) -1 25.316726 -14.954604 -14.415186 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=324) -1 15.902403 9.358436 -13.436243 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=324) -1 16.006756 9.762605 -12.555116 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=324) -1 15.151988 8.736355 -13.255519 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=325) -1 -27.885066 -14.947044 -1.087508 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=325) -1 -27.664026 -14.048231 -0.736226 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=325) -1 -28.873113 -14.862010 -1.103162 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=326) -1 12.383382 14.423150 -6.181993 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=326) -1 11.429801 14.452819 -5.910643 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=326) -1 12.328308 13.626805 -6.779636 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=327) -1 -25.820585 2.176885 -3.820673 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=327) -1 -26.355486 1.462525 -3.406104 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=327) -1 -26.368620 2.356968 -4.614520 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=328) -1 14.821277 15.890904 -5.646651 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=328) -1 15.282264 15.560875 -4.844937 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=328) -1 14.145113 15.198688 -5.768314 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=329) -1 3.024437 -2.866802 -4.237385 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=329) -1 3.844351 -2.940817 -4.797496 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=329) -1 3.109408 -1.910508 -3.994562 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=330) -1 11.873992 16.930648 -7.259923 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=330) -1 12.249354 16.125606 -6.849526 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=330) -1 12.356865 17.622666 -6.757637 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=331) -1 -6.556037 11.358467 16.676269 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=331) -1 -6.922255 10.628972 16.121196 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=331) -1 -5.803699 10.912847 17.086734 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=332) -1 -1.543700 -16.180518 -4.314211 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=332) -1 -2.484724 -16.451594 -4.363719 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=332) -1 -1.189017 -16.682063 -5.087210 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=333) -1 0.717707 -10.718081 14.137101 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=333) -1 0.797306 -11.696579 14.138067 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=333) -1 1.632848 -10.455061 13.970506 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=334) -1 -24.058993 7.664429 5.434028 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=334) -1 -24.139917 6.904691 6.034443 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=334) -1 -23.164077 7.467375 5.041335 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=335) -1 3.218123 6.146160 -2.164879 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=335) -1 4.104694 6.563124 -2.308373 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=335) -1 3.508705 5.214785 -2.032091 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=336) -1 31.850524 10.714742 2.700533 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=336) -1 31.054170 11.100263 3.084224 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=336) -1 31.740472 10.935120 1.752735 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=337) -1 -15.198171 32.346700 -1.880748 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=337) -1 -15.056174 33.176849 -1.404662 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=337) -1 -15.366940 31.734068 -1.121523 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=338) -1 7.570266 11.636384 -7.576017 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=338) -1 8.467510 12.028916 -7.475153 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=338) -1 7.325747 12.020387 -8.445956 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=339) -1 9.119493 -1.001970 -13.657974 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=339) -1 9.466194 -0.809369 -12.754201 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=339) -1 8.507028 -1.744407 -13.431152 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=340) -1 14.185674 18.302136 -2.811081 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=340) -1 15.070422 17.994008 -2.523325 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=340) -1 13.622880 17.613000 -2.378337 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=341) -1 9.752453 14.295472 -5.649700 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=341) -1 9.749661 13.732558 -6.464711 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=341) -1 8.782017 14.439065 -5.557490 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=342) -1 -24.353445 14.209120 2.812293 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=342) -1 -24.646338 13.435967 3.351840 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=342) -1 -23.802889 13.722782 2.142145 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=343) -1 -2.433396 -5.213836 19.160831 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=343) -1 -3.193486 -5.571637 19.661566 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=343) -1 -2.427961 -4.290903 19.492585 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=344) -1 -8.721691 20.920440 4.876181 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=344) -1 -9.392027 20.256943 4.575442 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=344) -1 -8.982245 20.980324 5.825449 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=345) -1 -12.465791 -26.412137 -3.405180 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=345) -1 -13.262354 -25.827331 -3.376017 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=345) -1 -12.811840 -27.162453 -2.865156 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=346) -1 -10.844399 -16.383841 17.302708 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=346) -1 -10.562973 -16.434207 16.345630 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=346) -1 -11.562789 -17.061101 17.265874 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=347) -1 27.463963 7.579316 -8.288331 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=347) -1 27.613043 8.533937 -8.129319 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=347) -1 27.466725 7.563152 -9.267183 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=348) -1 -15.756863 -21.503769 2.835844 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=348) -1 -15.290086 -21.419996 3.695092 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=348) -1 -16.659410 -21.230349 3.101936 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=349) -1 15.838859 1.391144 -20.522240 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=349) -1 15.652115 2.144882 -21.113728 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=349) -1 14.948494 1.182802 -20.185870 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=350) -1 20.152116 1.867498 14.268563 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=350) -1 20.658416 2.707268 14.370076 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=350) -1 20.661081 1.294581 14.886239 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=351) -1 25.141649 -14.871729 -9.603674 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=351) -1 24.430772 -15.283758 -10.147513 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=351) -1 25.024448 -13.934858 -9.850217 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=352) -1 -12.171956 3.270421 20.804489 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=352) -1 -11.361720 2.712170 20.758018 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=352) -1 -11.842232 4.030084 21.305047 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=353) -1 3.832736 -13.644197 -3.291977 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=353) -1 4.652088 -13.304018 -2.862817 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=353) -1 3.186741 -13.462728 -2.572765 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=354) -1 -11.880456 3.737823 -15.795760 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=354) -1 -12.270149 3.640278 -16.676778 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=354) -1 -11.696063 2.795060 -15.572609 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=355) -1 -20.917753 -6.866010 13.057794 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=355) -1 -19.938783 -6.775316 13.145796 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=355) -1 -21.065017 -6.164885 12.361820 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=356) -1 -26.380279 -28.750348 -5.222465 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=356) -1 -26.573149 -28.514936 -4.295075 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=356) -1 -25.554633 -28.245408 -5.364370 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=357) -1 -11.854371 -25.610727 0.181082 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=357) -1 -12.813529 -25.640134 -0.039706 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=357) -1 -11.793191 -26.320991 0.834823 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=358) -1 -9.250675 -6.880365 20.135139 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=358) -1 -8.509203 -7.460820 20.405182 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=358) -1 -9.124827 -6.139093 20.772019 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=359) -1 -8.124169 16.300108 -0.830538 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=359) -1 -8.270423 15.713936 -0.051479 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=359) -1 -8.714742 15.840431 -1.476294 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=360) -1 -12.948851 29.496567 -6.727307 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=360) -1 -12.707967 28.720361 -7.294980 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=360) -1 -12.240802 29.374717 -6.035798 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=361) -1 -4.355859 -16.544120 -4.816473 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=361) -1 -4.348838 -15.751266 -4.229213 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=361) -1 -5.157046 -16.995728 -4.449013 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=362) -1 12.690781 15.346552 7.515472 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=362) -1 12.606167 16.265256 7.177360 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=362) -1 13.606659 15.144851 7.242181 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=363) -1 8.681983 -2.667905 -16.827205 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=363) -1 8.791457 -3.315530 -16.080549 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=363) -1 8.342766 -3.262120 -17.513542 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=364) -1 -21.799278 -1.725010 -14.064179 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=364) -1 -22.223181 -0.898448 -13.720993 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=364) -1 -22.557982 -2.347837 -13.931811 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=365) -1 33.418331 -4.696559 6.120433 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=365) -1 32.487864 -4.371014 6.108751 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=365) -1 33.635007 -4.554751 5.163941 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=366) -1 -24.324105 5.929885 -4.677359 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=366) -1 -25.118632 5.603789 -5.151239 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=366) -1 -24.208411 5.205662 -4.020816 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=367) -1 7.352481 15.372850 -7.930260 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=367) -1 8.207453 15.794682 -8.166302 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=367) -1 7.299940 14.699312 -8.643370 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=368) -1 -13.851278 -27.900277 -1.545673 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=368) -1 -14.599787 -28.489209 -1.401410 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=368) -1 -14.146653 -27.087936 -1.080628 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=369) -1 -3.135931 -5.762307 -13.437498 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=369) -1 -3.184454 -6.622447 -13.874177 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=369) -1 -4.072195 -5.469312 -13.485710 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=370) -1 -0.744042 6.480702 -7.325367 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=370) -1 -0.189208 6.468722 -8.123090 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=370) -1 -0.038001 6.363858 -6.632797 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=371) -1 -22.590518 -4.433183 -15.852114 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=371) -1 -21.953791 -4.896412 -15.262842 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=371) -1 -23.210070 -4.078098 -15.176326 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=372) -1 31.378597 -3.478280 17.115672 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=372) -1 31.664421 -2.978538 16.323218 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=372) -1 30.475781 -3.118085 17.230239 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=374) -1 5.770502 -13.020912 11.850526 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=374) -1 4.948025 -13.233481 12.343530 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=374) -1 5.630315 -12.059819 11.699970 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=375) -1 9.627491 13.572026 2.275566 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=375) -1 10.347741 14.152513 2.633139 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=375) -1 8.865618 14.162510 2.382605 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=376) -1 16.352693 12.910129 14.257265 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=376) -1 15.649824 12.828962 13.559020 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=376) -1 16.807241 12.049751 14.107536 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=377) -1 -29.338657 -16.109578 -12.756906 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=377) -1 -28.752355 -16.105009 -11.968534 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=377) -1 -28.753068 -15.653084 -13.402735 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=378) -1 -8.260220 -18.662592 -5.663759 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=378) -1 -8.925812 -18.018284 -5.987621 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=378) -1 -8.491082 -19.440173 -6.222752 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=379) -1 -19.921588 12.257320 -3.987486 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=379) -1 -20.293909 11.357653 -4.144922 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=379) -1 -19.085102 12.175727 -4.504879 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=380) -1 3.430789 3.758408 -6.512756 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=380) -1 3.738674 2.892676 -6.192762 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=380) -1 2.536579 3.791680 -6.083514 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=381) -1 -14.254405 18.294509 9.428585 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=381) -1 -14.557587 19.061251 8.893997 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=381) -1 -15.121723 18.039069 9.841985 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=382) -1 34.421568 -3.117473 -1.907232 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=382) -1 34.165004 -4.064621 -1.835533 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=382) -1 34.089662 -2.899630 -2.786658 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=383) -1 -12.262779 -5.945934 -13.228583 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=383) -1 -12.481677 -6.587211 -13.942462 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=383) -1 -13.171618 -5.723226 -12.929259 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=384) -1 -7.336843 -8.760465 20.878421 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=384) -1 -7.327302 -8.894838 21.841318 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=384) -1 -6.400538 -8.436112 20.755752 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=385) -1 11.930211 18.469475 14.733710 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=385) -1 11.808216 17.539044 14.404351 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=385) -1 12.754866 18.697657 14.282362 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=386) -1 35.557490 0.517230 1.232422 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=386) -1 34.936501 0.964310 0.611749 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=386) -1 35.782149 -0.275104 0.683065 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=387) -1 -18.601085 16.871326 8.932045 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=387) -1 -18.522059 16.623647 7.989715 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=387) -1 -19.572924 17.032113 8.986013 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=388) -1 -21.629397 23.671377 9.677925 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=388) -1 -22.251739 22.918558 9.834340 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=388) -1 -21.771459 24.189610 10.479976 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=389) -1 13.246615 10.077008 15.544622 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=389) -1 13.833475 9.970412 14.756423 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=389) -1 13.652821 10.894932 15.926205 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=390) -1 -19.166926 -4.994537 -11.785078 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=390) -1 -19.747243 -5.044697 -10.989709 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=390) -1 -19.250988 -4.031210 -11.981369 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=391) -1 1.107541 10.851173 0.549986 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=391) -1 2.019244 10.494457 0.362311 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=391) -1 0.857408 10.221305 1.270595 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=392) -1 -4.583148 6.708321 17.801626 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=392) -1 -3.820780 7.275534 17.998561 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=392) -1 -4.110190 5.957682 17.339758 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=393) -1 -12.158387 0.303129 19.198302 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=393) -1 -12.418206 1.045476 18.611993 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=393) -1 -12.497014 -0.454797 18.654441 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=394) -1 -10.466056 28.780480 -13.837238 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=394) -1 -9.964586 29.605087 -13.861433 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=394) -1 -11.350323 29.104114 -13.551832 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=395) -1 -31.571408 -22.475185 -4.749182 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=395) -1 -31.134155 -22.344084 -3.877673 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=395) -1 -31.238446 -23.379881 -4.959934 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=396) -1 20.474431 -2.776521 -16.659653 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=396) -1 19.797860 -3.476585 -16.837326 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=396) -1 20.243507 -2.560396 -15.731940 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=397) -1 -2.387346 -8.191849 16.767149 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=397) -1 -3.367453 -8.064151 16.815389 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=397) -1 -2.343634 -9.001148 16.218296 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=398) -1 8.355058 6.511362 7.828245 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=398) -1 7.844998 6.192194 8.621285 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=398) -1 8.388785 7.459679 8.025568 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=399) -1 -3.650938 -14.217219 -12.689937 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=399) -1 -4.401338 -13.858106 -13.225595 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=399) -1 -3.592841 -15.117208 -13.074063 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=400) -1 -24.070173 1.041191 1.846312 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=400) -1 -24.147356 0.146354 1.442965 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=400) -1 -23.858283 0.776685 2.777253 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=401) -1 -14.393010 -15.995706 15.535535 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=401) -1 -15.357984 -16.090271 15.530008 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=401) -1 -14.265061 -15.598768 16.438014 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=402) -1 26.520800 5.548595 -3.974655 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=402) -1 27.170472 5.710872 -4.711979 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=402) -1 25.725064 5.373014 -4.536269 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=403) -1 -4.387907 -1.572990 22.569681 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=403) -1 -3.934757 -1.366637 23.402265 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=403) -1 -4.978659 -0.771677 22.500848 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=404) -1 -30.546608 -14.966433 -1.435685 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=404) -1 -30.746104 -14.579941 -2.316109 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=404) -1 -31.074111 -15.788890 -1.479963 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=405) -1 -0.033498 -15.416463 2.110764 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=405) -1 -0.278059 -15.564197 3.051931 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=405) -1 -0.850852 -14.964475 1.794509 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=406) -1 -23.117518 20.350387 4.328723 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=406) -1 -23.175474 19.588031 4.944710 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=406) -1 -22.905001 19.879455 3.491562 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=407) -1 -14.626175 -17.682181 9.563145 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=407) -1 -15.328915 -17.303772 8.988446 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=407) -1 -14.526799 -16.922114 10.198551 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=408) -1 12.799010 5.784052 -18.874559 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=408) -1 13.183495 5.515536 -18.010214 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=408) -1 12.665070 4.898509 -19.276969 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=409) -1 6.800440 -5.701992 1.134221 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=409) -1 7.397085 -6.352898 0.674783 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=409) -1 6.453443 -5.252163 0.316960 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=410) -1 16.851166 20.095944 3.263998 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=410) -1 16.273713 20.197933 2.461541 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=410) -1 17.217805 19.194314 3.043402 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=411) -1 10.905048 -1.545801 -15.670561 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=411) -1 10.321405 -1.284739 -14.915901 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=411) -1 10.220914 -1.949138 -16.256192 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=412) -1 8.489531 -7.147485 -7.217524 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=412) -1 9.448889 -6.915826 -7.260426 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=412) -1 8.336291 -7.017154 -6.253143 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=413) -1 -26.651579 1.870794 2.176200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=413) -1 -26.779584 1.230812 2.920608 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=413) -1 -25.708526 1.666879 1.966675 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=414) -1 10.130550 4.931561 11.444917 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=414) -1 10.484750 5.269582 10.596725 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=414) -1 10.680677 5.431708 12.082013 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=415) -1 22.497795 15.838073 -4.356034 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=415) -1 21.642907 16.280426 -4.558033 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=415) -1 22.323299 15.541386 -3.439277 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=416) -1 -22.205409 -25.583283 -3.463048 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=416) -1 -22.552818 -24.777543 -3.922980 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=416) -1 -21.297213 -25.595309 -3.816319 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=417) -1 20.941694 -17.843634 -13.994233 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=417) -1 20.018877 -17.950338 -14.313378 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=417) -1 21.081139 -16.903033 -14.299657 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=418) -1 24.251045 19.819756 -10.955372 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=418) -1 24.263564 18.877204 -10.664406 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=418) -1 23.581647 20.181889 -10.362908 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=419) -1 -21.300120 -7.656184 -11.019163 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=419) -1 -20.355749 -7.813493 -11.251167 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=419) -1 -21.191284 -6.917909 -10.382651 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=420) -1 13.889062 15.140579 4.445208 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=420) -1 14.473553 14.751160 5.121950 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=420) -1 14.340422 16.006457 4.303709 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=421) -1 5.865939 -12.524211 -1.797009 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=421) -1 6.796346 -12.601884 -1.500663 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=421) -1 5.644825 -11.628958 -1.493411 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=422) -1 -15.355585 5.224609 -11.444232 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=422) -1 -14.890235 6.071615 -11.620418 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=422) -1 -15.319284 4.828786 -12.345404 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=423) -1 -3.616861 -17.667640 -7.138346 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=423) -1 -3.892560 -17.153334 -6.334743 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=423) -1 -4.303794 -18.356099 -7.134653 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=424) -1 -9.565183 28.937105 -2.900688 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=424) -1 -8.774853 28.487638 -2.517152 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=424) -1 -10.138622 28.980249 -2.113153 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=425) -1 -7.708768 23.521257 -10.878017 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=425) -1 -7.083749 22.844258 -10.518314 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=425) -1 -7.726243 24.134612 -10.104610 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=426) -1 31.399219 11.244235 0.019989 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=426) -1 31.182650 11.407459 -0.926125 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=426) -1 31.966643 10.440684 -0.082969 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=427) -1 -8.112233 -16.855503 -13.056198 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=427) -1 -7.234191 -16.761205 -12.624227 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=427) -1 -8.562660 -16.058384 -12.711113 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=428) -1 23.916836 0.572490 -9.517828 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=428) -1 24.275962 1.092310 -8.762897 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=428) -1 24.084996 1.228115 -10.242114 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=429) -1 -17.813740 -2.663132 17.067499 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=429) -1 -18.316686 -2.309860 16.316809 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=429) -1 -18.266267 -3.536602 17.180736 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=430) -1 -24.928591 -3.614606 -0.939683 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=430) -1 -24.662261 -4.340111 -0.335387 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=430) -1 -24.308803 -3.792594 -1.692935 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=431) -1 13.260053 -18.260782 1.147666 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=431) -1 13.176297 -17.348001 1.524584 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=431) -1 14.223192 -18.234016 0.920088 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=432) -1 -21.254253 17.434812 8.812404 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=432) -1 -21.688243 18.307360 8.902865 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=432) -1 -22.036504 16.866579 8.656908 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=433) -1 18.386479 2.064247 -20.130015 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=433) -1 18.154561 2.979858 -19.865428 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=433) -1 17.476681 1.706615 -20.289471 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=434) -1 -20.698907 6.083689 -5.803414 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=434) -1 -21.516186 5.932309 -6.349820 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=434) -1 -20.459764 5.120861 -5.667153 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=435) -1 -7.904959 25.521580 -12.736950 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=435) -1 -7.839268 24.712877 -12.174804 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=435) -1 -7.028764 25.519621 -13.152249 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=436) -1 9.036213 -8.295316 -9.611386 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=436) -1 8.723815 -8.085343 -8.699835 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=436) -1 9.846187 -8.806796 -9.389480 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=437) -1 -5.278702 -1.447594 -11.034077 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=437) -1 -5.623322 -1.051650 -11.865951 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=437) -1 -4.955059 -0.626670 -10.591677 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=438) -1 20.149641 10.020130 12.767621 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=438) -1 20.512131 10.940637 12.755233 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=438) -1 20.795435 9.606235 12.137377 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=439) -1 23.898434 17.387168 -9.801658 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=439) -1 23.317630 17.459816 -9.009361 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=439) -1 23.983018 16.415607 -9.860229 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=440) -1 -17.519541 12.875923 -9.016165 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=440) -1 -18.345325 13.377873 -8.843341 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=440) -1 -17.797548 11.984792 -8.710153 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=441) -1 10.656730 15.140770 -3.096392 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=441) -1 10.297037 14.269691 -2.829287 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=441) -1 10.341403 15.178152 -4.022970 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=442) -1 6.381618 -6.369487 -8.754622 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=442) -1 7.114536 -6.719875 -8.192185 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=442) -1 6.257391 -5.494412 -8.304925 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=443) -1 -11.746653 -9.672824 -15.800101 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=443) -1 -11.108608 -10.053781 -15.154055 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=443) -1 -11.767229 -10.369236 -16.469426 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=444) -1 12.852003 -19.816613 -2.806602 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=444) -1 12.251206 -19.435986 -2.130996 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=444) -1 13.546549 -20.194904 -2.219402 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=445) -1 15.518175 -12.415938 10.647765 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=445) -1 16.443492 -12.110070 10.835898 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=445) -1 15.711797 -13.383134 10.556123 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=446) -1 -21.460865 -9.226249 9.502803 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=446) -1 -22.167725 -8.561784 9.690776 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=446) -1 -21.048449 -8.786200 8.719084 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=447) -1 -15.454883 14.473159 -6.120169 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=447) -1 -15.277394 13.552950 -5.817679 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=447) -1 -15.343350 14.348053 -7.090096 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=448) -1 29.164971 8.230220 13.932906 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=448) -1 30.053740 7.998115 14.322643 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=448) -1 28.761562 7.330869 13.963442 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=449) -1 9.270560 -6.197076 3.928209 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=449) -1 9.237938 -5.323898 3.474904 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=449) -1 9.959376 -6.008606 4.601922 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=450) -1 -10.079809 15.228498 -2.350147 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=450) -1 -10.453046 14.608446 -3.031547 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=450) -1 -10.658665 14.949201 -1.590894 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=451) -1 -18.692361 26.215461 -4.908212 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=451) -1 -18.772081 26.794099 -5.711347 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=451) -1 -18.854332 25.341745 -5.367787 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=452) -1 -15.142398 11.895375 -5.318868 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=452) -1 -14.675239 12.003987 -4.443905 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=452) -1 -14.695217 11.065510 -5.607734 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=453) -1 22.530712 -6.798216 -13.133064 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=453) -1 23.346937 -6.970831 -12.588683 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=453) -1 22.514355 -5.811042 -13.046677 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=454) -1 -11.242696 5.011110 -8.781422 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=454) -1 -10.509574 4.489345 -9.165461 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=454) -1 -12.014193 4.479203 -9.080082 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=455) -1 24.581554 -4.067099 -16.943365 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=455) -1 23.929627 -3.736868 -17.615378 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=455) -1 24.529737 -3.297722 -16.317035 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=456) -1 -8.202260 20.609114 0.360216 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=456) -1 -7.977690 20.889565 1.274297 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=456) -1 -9.184007 20.537319 0.446258 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=457) -1 -6.906315 5.061062 -9.510607 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=457) -1 -7.786725 4.811647 -9.897912 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=457) -1 -6.337119 4.491706 -10.095376 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=458) -1 -20.928114 14.006632 -5.757818 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=458) -1 -20.200569 14.650039 -5.560638 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=458) -1 -20.700163 13.333267 -5.061963 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=459) -1 -18.983582 28.069301 1.330956 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=459) -1 -19.824710 27.736019 0.949629 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=459) -1 -18.866796 27.406110 2.059487 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=460) -1 -13.262291 -1.509686 17.595824 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=460) -1 -14.232686 -1.374666 17.541445 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=460) -1 -13.176190 -2.425788 17.297465 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=461) -1 -26.681099 -0.026561 -10.271197 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=461) -1 -26.901985 -0.974506 -10.082856 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=461) -1 -27.147261 0.088521 -11.117098 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=462) -1 11.713493 17.708519 4.132907 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=462) -1 12.285507 18.367877 3.677092 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=462) -1 12.054240 17.795067 5.048147 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=463) -1 -22.764722 22.824168 -7.291137 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=463) -1 -23.696946 22.516748 -7.427640 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=463) -1 -22.695473 23.448477 -8.049446 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=464) -1 8.515945 -12.954200 -0.908650 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=464) -1 9.224818 -12.490303 -0.414704 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=464) -1 9.076795 -13.406411 -1.594480 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=465) -1 -5.717342 -4.890333 -13.224376 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=465) -1 -6.170252 -4.117767 -13.638986 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=465) -1 -5.513396 -4.502901 -12.341371 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=466) -1 -11.716730 21.369435 -12.158352 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=466) -1 -11.246534 20.706190 -11.592324 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=466) -1 -12.205931 20.741460 -12.743432 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=467) -1 27.299525 7.926721 -11.105139 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=467) -1 27.345515 7.852658 -12.093266 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=467) -1 26.651097 8.674518 -11.047045 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=468) -1 8.740666 -2.919654 -10.018028 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=468) -1 8.799419 -3.874224 -9.786121 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=468) -1 7.936610 -2.673253 -9.501695 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=469) -1 11.500523 -15.473548 8.277026 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=469) -1 12.276660 -14.877491 8.321750 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=469) -1 11.871350 -16.198292 7.726561 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=470) -1 21.814185 12.751676 -14.734977 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=470) -1 22.489925 12.222324 -14.240683 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=470) -1 22.267395 13.601308 -14.799394 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=471) -1 -14.351036 26.418185 -9.553844 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=471) -1 -15.221570 26.728155 -9.203132 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=471) -1 -14.079616 27.205819 -10.059112 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=472) -1 3.488631 6.922591 6.133010 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=472) -1 4.455011 6.827410 6.318249 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=472) -1 3.311799 5.990304 5.841385 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=473) -1 -16.817466 20.337647 -0.836537 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=473) -1 -15.843556 20.210285 -0.979540 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=473) -1 -17.142389 19.784942 -1.582787 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=474) -1 -9.251224 -1.365936 -14.729367 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=474) -1 -8.667989 -2.131088 -14.601320 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=474) -1 -10.122261 -1.731152 -14.499567 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=475) -1 -24.466694 -16.784460 -15.439815 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=475) -1 -24.628696 -15.874843 -15.097417 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=475) -1 -23.534747 -16.724419 -15.686813 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=476) -1 -12.296417 -23.018106 0.968244 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=476) -1 -11.872775 -22.381337 0.345113 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=476) -1 -11.956248 -23.863400 0.606075 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=477) -1 2.997728 3.135778 -11.757141 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=477) -1 3.201620 3.398362 -10.819815 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=477) -1 3.843138 3.423607 -12.174690 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=478) -1 11.112490 -6.819930 -7.829097 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=478) -1 11.387207 -7.695825 -8.164179 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=478) -1 11.629504 -6.225159 -8.403898 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=479) -1 11.443038 -18.386900 -0.909298 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=479) -1 12.128607 -18.432599 -0.200976 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=479) -1 10.713018 -17.969943 -0.390139 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=480) -1 0.705925 -15.298683 -7.177803 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=480) -1 0.152649 -16.036977 -6.854775 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=480) -1 1.098170 -14.987801 -6.331549 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=481) -1 5.640845 7.274901 -2.374382 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=481) -1 5.709252 7.876899 -1.596489 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=481) -1 6.558497 6.910997 -2.373791 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=482) -1 25.250323 7.935158 -14.904238 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=482) -1 24.677567 7.286614 -14.436887 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=482) -1 24.603933 8.602939 -15.166744 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=483) -1 -18.734489 24.397023 -17.909240 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=483) -1 -19.467854 24.166554 -18.489675 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=483) -1 -19.151343 24.339649 -17.025089 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=484) -1 -27.536382 -7.586892 -7.986543 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=484) -1 -27.905937 -6.739898 -8.355714 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=484) -1 -27.510285 -7.324982 -7.034827 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=485) -1 -28.891382 22.463094 -1.199798 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=485) -1 -29.192283 22.537555 -0.273648 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=485) -1 -29.435582 21.708640 -1.511725 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=486) -1 -16.196970 24.283048 -16.964623 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=486) -1 -17.020062 24.326184 -17.512760 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=486) -1 -16.222121 25.208172 -16.597682 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=487) -1 -19.992969 -9.221517 11.761196 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=487) -1 -20.515221 -8.521645 12.205879 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=487) -1 -20.528863 -9.328332 10.937170 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=488) -1 -7.848032 26.480972 0.845520 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=488) -1 -8.023312 25.522195 1.004450 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=488) -1 -7.283318 26.687901 1.604253 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=489) -1 3.674800 -5.533789 -8.384830 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=489) -1 4.315670 -4.842918 -8.093530 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=489) -1 4.303350 -6.171637 -8.784697 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=490) -1 27.300961 3.448163 -7.523347 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=490) -1 27.694843 3.395416 -8.423820 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=490) -1 26.444849 3.001617 -7.682780 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=491) -1 -13.660468 18.072224 4.616692 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=491) -1 -13.067331 17.301642 4.814867 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=491) -1 -13.236275 18.730527 5.230648 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=492) -1 -11.355232 -24.687987 -5.378840 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=492) -1 -10.817334 -24.221538 -4.708001 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=492) -1 -11.713708 -25.423440 -4.842871 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=493) -1 0.721055 -13.469985 13.945688 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=493) -1 0.315167 -14.141019 14.542936 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=493) -1 -0.026984 -13.368437 13.306345 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=494) -1 10.970932 -12.723190 6.599839 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=494) -1 11.708817 -13.156620 7.085512 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=494) -1 11.343675 -11.817723 6.517277 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=495) -1 12.780088 16.261215 -1.698227 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=495) -1 12.677638 15.769939 -0.860446 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=495) -1 12.003050 15.920871 -2.198086 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=496) -1 -18.146494 15.038816 -0.044284 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=496) -1 -17.251380 14.626181 -0.019052 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=496) -1 -18.350603 14.920246 -1.000418 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=497) -1 -16.163310 -7.859083 -12.499450 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=497) -1 -15.421064 -8.490233 -12.611495 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=497) -1 -15.675307 -7.007589 -12.573432 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=498) -1 27.415647 9.797766 -5.088438 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=498) -1 27.119934 9.934545 -4.165562 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=498) -1 26.812446 9.064877 -5.355134 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=499) -1 5.509228 -15.257567 7.159994 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=499) -1 5.911553 -14.897966 7.986822 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=499) -1 6.325627 -15.641450 6.752716 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=500) -1 11.861893 16.010533 13.711737 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=500) -1 11.351208 15.646839 12.944407 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=500) -1 12.293716 15.174673 14.009107 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=501) -1 -25.751566 20.672099 3.242288 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=501) -1 -25.607966 19.701999 3.075281 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=501) -1 -24.955429 20.844236 3.793344 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=502) -1 27.830348 12.074483 -1.218112 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=502) -1 28.204119 12.535239 -0.434805 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=502) -1 27.562675 12.858146 -1.759622 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=503) -1 4.584291 -0.850998 -7.213870 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=503) -1 4.860554 -0.093441 -6.672325 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=503) -1 4.819423 -1.600111 -6.608488 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=504) -1 -24.580869 16.232717 4.567870 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=504) -1 -24.424261 15.531432 3.878708 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=504) -1 -24.888356 15.632743 5.297999 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=505) -1 25.969843 14.993146 12.963846 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=505) -1 26.191800 14.753184 12.035973 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=505) -1 26.448231 14.270228 13.434256 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=506) -1 -22.132260 9.911308 7.858081 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=506) -1 -21.796938 9.451893 8.668954 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=506) -1 -21.455769 9.588338 7.212364 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=507) -1 14.107823 -18.912522 -9.760155 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=507) -1 15.067082 -18.781105 -9.583309 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=507) -1 13.922325 -18.097861 -10.272092 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=508) -1 -27.592796 0.411483 -7.557016 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=508) -1 -27.529472 -0.565832 -7.370187 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=508) -1 -27.328444 0.406940 -8.498011 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=509) -1 12.863201 -10.616812 6.629578 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=509) -1 13.151943 -10.659055 7.570622 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=509) -1 13.697254 -10.872203 6.184857 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=511) -1 21.857025 11.694025 4.100178 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=511) -1 20.947382 11.942635 4.369630 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=511) -1 22.193350 11.336513 4.955219 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=512) -1 31.058509 4.653106 14.921415 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=512) -1 31.828458 4.286915 14.429868 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=512) -1 30.774693 3.820811 15.392855 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=513) -1 -29.781999 -2.112719 -5.703049 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=513) -1 -29.031868 -2.246501 -6.324408 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=513) -1 -29.687675 -2.936448 -5.162502 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=514) -1 -16.866621 29.589679 2.350624 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=514) -1 -17.744679 29.237665 2.102121 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=514) -1 -16.553349 28.889477 2.954869 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=515) -1 28.880922 -8.655173 -13.082602 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=515) -1 28.639427 -9.470839 -13.556126 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=515) -1 28.041863 -8.157432 -13.139178 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=516) -1 14.009462 10.240804 -15.281395 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=516) -1 14.812605 10.045101 -14.758359 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=516) -1 13.610119 10.952456 -14.747414 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=517) -1 0.676120 11.870915 -1.930620 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=517) -1 -0.011713 11.196699 -2.143444 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=517) -1 0.959757 11.531333 -1.049657 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=518) -1 -6.251070 -7.456241 -12.658940 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=518) -1 -5.722569 -7.388546 -11.833972 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=518) -1 -6.130113 -6.543075 -13.007286 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=519) -1 -3.674070 -19.802049 10.387072 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=519) -1 -3.601572 -18.857283 10.137699 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=519) -1 -4.535771 -20.025590 9.977300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=520) -1 33.610827 -5.726366 -1.869118 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=520) -1 33.378459 -5.918835 -2.818241 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=520) -1 33.103842 -6.464859 -1.451261 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=521) -1 -21.169932 -21.860309 -0.888183 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=521) -1 -21.733039 -22.647475 -1.087499 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=521) -1 -20.492449 -21.970578 -1.597958 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=522) -1 32.466487 -7.899099 -0.687199 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=522) -1 32.893881 -7.771990 0.195399 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=522) -1 32.798409 -8.778025 -0.921564 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=523) -1 -21.356617 9.044140 -9.281917 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=523) -1 -21.966652 8.290280 -9.472653 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=523) -1 -20.906474 8.690513 -8.483713 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=524) -1 -2.591393 11.167611 -0.401372 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=524) -1 -1.988905 11.892382 -0.130980 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=524) -1 -2.053508 10.750881 -1.112263 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=525) -1 -13.945718 15.680505 0.647789 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=525) -1 -14.684566 15.120187 0.332126 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=525) -1 -14.425046 16.228595 1.314255 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=526) -1 -13.322632 8.457071 1.606537 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=526) -1 -13.735350 9.309997 1.345625 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=526) -1 -13.163373 8.056063 0.733199 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=527) -1 -24.225855 2.402781 8.722294 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=527) -1 -24.867123 1.854246 8.204401 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=527) -1 -23.756346 2.841517 7.979486 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=528) -1 -8.696216 0.012048 22.032079 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=528) -1 -8.386533 -0.609867 21.336827 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=528) -1 -9.185731 0.658490 21.474134 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=529) -1 10.632949 -12.991564 -5.808408 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=529) -1 10.968539 -13.719684 -6.387512 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=529) -1 9.839460 -13.437856 -5.436680 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=530) -1 33.772640 6.569503 13.610338 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=530) -1 33.571303 5.607760 13.533692 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=530) -1 34.308768 6.709382 12.820491 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=531) -1 -9.388990 6.330251 16.686952 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=531) -1 -9.605927 5.529712 16.167608 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=531) -1 -8.472075 6.501770 16.388173 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=532) -1 30.504404 3.100970 7.374284 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=532) -1 30.465669 2.899196 6.409945 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=532) -1 29.950901 3.911096 7.395348 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=533) -1 16.943644 -17.974770 -4.389459 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=533) -1 17.898803 -17.891826 -4.607161 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=533) -1 16.551284 -17.833889 -5.277641 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=534) -1 -8.536647 16.169122 15.917141 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=534) -1 -8.229488 15.229144 15.986783 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=534) -1 -7.761603 16.629776 16.271338 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=535) -1 -18.476795 15.002119 -5.102270 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=535) -1 -18.064205 14.131833 -5.320492 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=535) -1 -17.877149 15.593278 -5.610364 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=536) -1 -8.962063 25.025201 -2.250858 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=536) -1 -8.608322 24.148356 -1.966200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=536) -1 -8.936911 24.898838 -3.227654 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=537) -1 -17.681332 21.102331 1.600093 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=537) -1 -16.941569 20.608305 2.049490 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=537) -1 -17.444457 20.848116 0.663760 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=538) -1 21.035248 19.733391 -6.908284 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=538) -1 20.713680 19.820994 -5.991234 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=538) -1 20.199930 19.464731 -7.356148 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=539) -1 10.025054 15.656926 -8.756259 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=539) -1 10.663161 16.250422 -8.285913 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=539) -1 10.219831 14.812762 -8.303094 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=540) -1 -26.612478 -22.472820 0.013535 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=540) -1 -25.733371 -22.594897 0.432563 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=540) -1 -26.633485 -23.268710 -0.564366 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=541) -1 5.236904 -12.410261 4.049717 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=541) -1 5.686812 -11.524462 4.014316 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=541) -1 6.061870 -12.972389 4.080880 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=542) -1 -22.823837 19.159486 1.883487 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=542) -1 -23.686754 18.728709 2.077152 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=542) -1 -22.319674 18.369755 1.567244 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=543) -1 0.548304 -5.522220 16.692882 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=543) -1 0.407614 -6.086439 17.480511 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=543) -1 1.477205 -5.234491 16.845685 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=544) -1 17.294476 -5.985035 14.828787 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=544) -1 17.364610 -6.831451 15.300095 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=544) -1 18.204559 -5.934673 14.437295 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=545) -1 15.963769 -16.508796 -11.579918 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=545) -1 16.282546 -16.997795 -10.791044 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=545) -1 15.053508 -16.289619 -11.288624 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=546) -1 16.279624 -17.272897 5.743157 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=546) -1 16.585080 -17.918331 5.092874 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=546) -1 15.502941 -16.887264 5.274674 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=547) -1 9.946323 -0.710437 -11.053711 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=547) -1 10.803380 -0.683895 -10.605090 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=547) -1 9.529272 -1.486381 -10.609715 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=548) -1 -16.398185 -17.034612 7.528395 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=548) -1 -16.102248 -16.340223 6.893762 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=548) -1 -17.374698 -16.939597 7.420534 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=549) -1 29.324792 7.767474 6.418117 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=549) -1 30.026630 8.137490 7.018272 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=549) -1 29.903597 7.520163 5.657556 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=550) -1 23.799528 9.045913 -3.785485 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=550) -1 23.299269 9.269551 -4.618385 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=550) -1 24.131326 9.965801 -3.594951 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=551) -1 23.534880 -13.842889 3.463484 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=551) -1 23.244338 -14.593286 4.025120 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=551) -1 22.940041 -13.978402 2.688394 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=552) -1 30.162293 7.734132 -12.631719 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=552) -1 30.036439 6.853117 -12.236177 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=552) -1 29.382103 7.781082 -13.222670 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=553) -1 33.076053 3.994809 13.119425 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=553) -1 33.563164 3.200093 12.784601 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=553) -1 32.446299 4.094783 12.354122 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=554) -1 -25.114494 14.291834 6.364020 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=554) -1 -25.200480 13.626011 5.632855 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=554) -1 -25.207424 13.650569 7.125812 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=555) -1 -18.925801 27.668487 -7.177931 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=555) -1 -19.672236 27.240090 -7.661761 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=555) -1 -19.364775 28.482768 -6.862984 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=556) -1 0.435040 2.038248 -11.559311 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=556) -1 1.213863 2.625496 -11.700312 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=556) -1 0.910211 1.209786 -11.308378 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=557) -1 -9.698184 20.937153 7.430257 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=557) -1 -10.522354 21.028837 7.962700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=557) -1 -9.087611 20.595499 8.098847 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=558) -1 -16.314687 19.143135 -12.500967 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=558) -1 -15.586831 18.508536 -12.720859 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=558) -1 -17.000828 18.476009 -12.229434 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=559) -1 14.239881 -2.689013 14.066354 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=559) -1 14.308672 -2.550555 13.097512 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=559) -1 14.076211 -1.761338 14.355233 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=560) -1 -13.564284 32.165489 -7.078958 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=560) -1 -13.977227 32.313782 -6.204173 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=560) -1 -13.162885 31.281954 -6.930728 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=561) -1 -11.549140 -14.286845 18.811812 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=561) -1 -11.240697 -15.020323 18.225913 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=561) -1 -11.161813 -13.519574 18.330289 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=562) -1 24.999190 11.088929 14.266716 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=562) -1 24.322142 10.610142 14.762310 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=562) -1 24.465339 11.470767 13.533667 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=563) -1 -14.520817 31.816848 -12.152223 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=563) -1 -15.237645 31.217808 -12.498180 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=563) -1 -14.755068 32.636185 -12.614215 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=564) -1 17.393508 4.236656 11.933053 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=564) -1 18.240619 4.722802 12.024971 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=564) -1 17.739981 3.314569 11.905402 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=565) -1 -10.161999 26.144421 -14.206947 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=565) -1 -10.215738 27.130374 -14.115499 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=565) -1 -9.335762 25.987585 -13.694295 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=566) -1 -16.148888 0.789649 -14.875658 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=566) -1 -16.340610 0.957205 -15.831370 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=566) -1 -17.049739 1.009023 -14.513463 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=567) -1 -8.836532 1.245117 -14.436823 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=567) -1 -9.715106 1.478335 -14.806950 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=567) -1 -8.873111 0.261560 -14.573643 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=568) -1 15.044002 20.674992 -1.584009 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=568) -1 15.855939 20.693652 -2.143756 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=568) -1 14.532852 19.988493 -2.064785 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=569) -1 26.786245 -8.688551 -19.026506 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=569) -1 26.283164 -7.852064 -18.922181 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=569) -1 26.457929 -9.184157 -18.247936 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=570) -1 8.253559 -5.572026 -12.623741 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=570) -1 7.618622 -6.307842 -12.425885 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=570) -1 8.744277 -5.577537 -11.764640 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=571) -1 -22.217291 -5.020308 6.741705 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=571) -1 -22.725876 -5.846991 6.833032 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=571) -1 -21.758842 -5.023674 7.630132 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=572) -1 17.194648 -2.201007 -17.882099 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=572) -1 17.863420 -1.559243 -18.212146 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=572) -1 17.742047 -3.002985 -17.793194 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=573) -1 -27.878047 20.154588 1.478372 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=573) -1 -28.441662 20.944637 1.629080 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=573) -1 -27.257594 20.238358 2.232083 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=574) -1 16.724767 -14.865309 10.186766 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=574) -1 16.752265 -15.248409 9.282502 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=574) -1 17.682103 -14.735857 10.344111 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=575) -1 27.309092 13.870525 -3.127636 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=575) -1 26.576392 13.894711 -3.780868 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=575) -1 28.063464 13.686291 -3.733973 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=576) -1 -19.456098 24.141200 -15.275607 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=576) -1 -18.622349 23.612931 -15.197699 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=576) -1 -19.982493 23.710649 -14.573672 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=577) -1 -19.929204 26.647820 -2.551568 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=577) -1 -19.618930 26.347210 -3.446668 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=577) -1 -20.132792 27.594008 -2.799096 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=578) -1 -25.299071 -5.534824 -11.587068 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=578) -1 -24.448236 -5.879067 -11.933245 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=578) -1 -25.668405 -6.368602 -11.201284 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=579) -1 -23.802425 -3.465367 -13.561716 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=579) -1 -24.676930 -3.210828 -13.180090 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=579) -1 -23.639050 -4.290607 -13.055010 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=580) -1 -16.636159 11.064547 4.291192 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=580) -1 -15.958650 11.178876 5.000252 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=580) -1 -16.154992 11.503578 3.549231 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=581) -1 3.837971 -14.548903 5.215997 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=581) -1 4.458777 -14.860300 5.929467 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=581) -1 4.448397 -13.925581 4.756691 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=582) -1 -13.872416 30.995533 -9.617330 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=582) -1 -14.091487 31.501583 -10.427961 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=582) -1 -13.681610 31.723157 -8.991268 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=583) -1 18.643398 18.540182 -7.534485 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=583) -1 17.694067 18.265724 -7.550574 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=583) -1 19.061678 17.642714 -7.485769 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=584) -1 4.695641 -9.833952 -0.880266 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=584) -1 5.392269 -9.755276 -0.180820 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=584) -1 4.822707 -8.958429 -1.321078 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=585) -1 -16.686841 11.098705 0.095825 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=585) -1 -15.738851 10.945452 0.342997 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=585) -1 -17.108193 10.438195 0.698586 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=586) -1 6.107401 -7.552562 3.020471 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=586) -1 6.132478 -7.118174 3.895156 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=586) -1 6.369071 -6.793945 2.444884 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=587) -1 -8.204000 -19.861412 7.290184 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=587) -1 -7.971927 -18.881061 7.268409 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=587) -1 -7.581713 -20.111278 8.021836 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=588) -1 -12.824371 28.637442 -10.357975 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=588) -1 -12.419693 28.297474 -9.530091 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=588) -1 -13.183046 29.497210 -10.018071 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=589) -1 10.667703 6.909124 -17.533615 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=589) -1 11.345010 6.621010 -18.187300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=589) -1 11.243562 7.461297 -16.948344 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=590) -1 26.461947 10.168924 -2.531519 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=590) -1 26.956217 10.825363 -1.972940 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=590) -1 25.714172 10.758675 -2.809498 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=591) -1 7.777039 3.716261 -14.484839 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=591) -1 7.843050 2.778824 -14.774744 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=591) -1 8.200799 4.159635 -15.253225 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=592) -1 -10.358788 -12.147783 17.622416 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=592) -1 -9.911683 -11.550699 18.261883 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=592) -1 -10.891057 -11.476363 17.125152 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=593) -1 32.403394 5.076835 -3.421394 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=593) -1 31.509662 5.303981 -3.787625 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=593) -1 32.954330 5.228317 -4.202463 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=594) -1 29.480326 0.254407 -7.830493 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=594) -1 30.075325 -0.314918 -8.334700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=594) -1 28.604638 -0.112462 -8.081928 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=595) -1 27.134333 12.703380 13.889792 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=595) -1 26.396125 12.154086 14.249751 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=595) -1 27.894660 12.124147 14.148993 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=596) -1 -23.270067 4.523858 -11.644008 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=596) -1 -23.956551 4.572198 -10.941037 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=596) -1 -22.915728 3.621672 -11.468393 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=597) -1 27.496564 10.395259 -8.875565 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=597) -1 28.323919 10.304318 -9.405574 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=597) -1 26.835341 10.386790 -9.600527 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=598) -1 -8.850012 12.004711 2.201464 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=598) -1 -9.017934 11.038128 2.113570 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=598) -1 -9.544547 12.211016 2.886942 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=599) -1 18.975636 13.708876 13.507396 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=599) -1 18.134125 13.791395 13.996132 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=599) -1 19.416398 14.550821 13.757319 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=600) -1 7.099790 -9.467576 9.633592 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=600) -1 7.885491 -9.114324 10.076187 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=600) -1 7.274739 -9.186721 8.704089 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=601) -1 6.673163 -14.068002 9.313344 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=601) -1 7.609595 -14.067646 9.004805 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=601) -1 6.801571 -13.840583 10.256319 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=602) -1 -7.173086 -14.645863 19.580679 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=602) -1 -7.370516 -15.209236 18.803122 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=602) -1 -8.025519 -14.724218 20.067690 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=603) -1 1.631296 -13.509117 1.134827 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=603) -1 1.153866 -14.298676 1.479129 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=603) -1 2.017301 -13.168515 1.970552 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=604) -1 -8.802394 -15.818544 -3.929800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=604) -1 -9.193985 -16.218247 -4.743902 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=604) -1 -8.910479 -14.858470 -4.180605 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=605) -1 -7.567235 13.182940 6.101688 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=605) -1 -8.362278 13.756313 6.045170 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=605) -1 -7.262726 13.233273 5.166097 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=606) -1 11.310568 -10.457438 -6.158466 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=606) -1 11.222920 -10.222302 -5.211364 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=606) -1 11.022690 -11.407910 -6.108948 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=607) -1 -12.087972 7.283551 -9.968485 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=607) -1 -12.567180 7.609127 -9.172077 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=607) -1 -11.672422 6.474887 -9.579410 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=608) -1 -26.620588 21.025343 -0.782875 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=608) -1 -27.047003 20.547714 -0.031182 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=608) -1 -27.339632 21.674153 -0.978018 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=609) -1 13.605755 19.411392 3.117117 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=609) -1 13.657967 20.262284 3.620619 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=609) -1 14.035533 19.706722 2.277295 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=610) -1 -1.999789 -14.479965 6.852367 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=610) -1 -2.747696 -13.909399 6.583275 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=610) -1 -1.603228 -14.692557 5.987150 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=611) -1 -3.229415 13.367469 5.519043 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=611) -1 -2.488648 13.280562 6.157788 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=611) -1 -2.726394 13.452032 4.680394 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=612) -1 -16.564864 27.560697 -8.568173 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=612) -1 -17.436427 27.531237 -8.110048 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=612) -1 -16.257200 28.449194 -8.270622 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=613) -1 25.465415 11.989851 6.066505 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=613) -1 25.741100 11.144497 5.616273 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=613) -1 25.809592 12.634628 5.430594 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=614) -1 12.867236 17.994952 6.670886 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=614) -1 13.847104 17.971866 6.756650 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=614) -1 12.670208 18.858729 7.063179 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=615) -1 -19.937053 14.030448 -8.354392 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=615) -1 -20.419439 13.220532 -8.661586 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=615) -1 -20.314060 14.089200 -7.444851 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=616) -1 -13.612623 11.850810 -3.130018 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=616) -1 -12.947941 11.128797 -3.177970 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=616) -1 -13.602153 12.030686 -2.159902 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=617) -1 31.565863 4.013120 10.927654 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=617) -1 31.419145 4.778994 10.317153 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=617) -1 31.893236 3.353627 10.273606 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=618) -1 -15.765844 -19.626351 -14.061830 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=618) -1 -15.046935 -20.268657 -13.923195 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=618) -1 -16.200257 -19.658800 -13.177979 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=619) -1 -9.225587 4.791032 11.433761 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=619) -1 -9.345852 5.742233 11.696442 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=619) -1 -8.723367 4.475906 12.217276 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=620) -1 -17.191417 22.636817 -15.023960 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=620) -1 -16.750360 23.103625 -15.773142 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=620) -1 -16.453441 22.039952 -14.753751 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=621) -1 -18.585972 -7.601399 -11.465460 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=621) -1 -17.670597 -7.714578 -11.840759 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=621) -1 -18.684249 -6.630013 -11.629332 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=622) -1 -18.985409 22.307190 -12.948190 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=622) -1 -18.405335 21.906353 -12.260336 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=622) -1 -18.359491 22.308825 -13.706226 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=623) -1 12.084345 -18.375992 -8.014180 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=623) -1 12.710729 -18.881523 -8.591755 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=623) -1 12.656470 -17.574779 -7.861835 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=624) -1 -13.208448 16.223599 8.006876 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=624) -1 -14.042018 16.215018 7.474627 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=624) -1 -13.392701 17.017188 8.564231 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=625) -1 31.486928 7.342493 14.859668 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=625) -1 32.384275 7.246885 14.454769 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=625) -1 31.319208 6.391235 15.071213 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=626) -1 8.836422 -8.732007 4.761408 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=626) -1 9.810393 -8.828440 4.905090 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=626) -1 8.847336 -7.834303 4.332065 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=627) -1 10.645418 14.588943 11.749376 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=627) -1 10.697502 14.345483 10.803482 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=627) -1 10.526841 13.703662 12.156459 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=628) -1 11.505926 -8.764283 5.188660 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=628) -1 11.789741 -9.072033 4.299895 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=628) -1 11.984299 -9.414788 5.753324 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=629) -1 -3.815648 6.413794 8.690052 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=629) -1 -3.017391 6.372307 9.238956 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=629) -1 -4.169538 7.297454 8.954465 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=630) -1 23.775042 -13.356443 -4.772842 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=630) -1 24.174448 -13.129323 -5.658683 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=630) -1 23.284051 -14.173742 -5.058478 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=631) -1 4.718044 4.645250 8.729189 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=631) -1 3.927215 4.178033 8.410569 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=631) -1 5.084945 4.990646 7.888386 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=632) -1 -10.935362 9.349335 -6.282049 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=632) -1 -10.014820 9.660421 -6.465580 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=632) -1 -10.810632 8.388507 -6.497255 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=633) -1 -19.016829 24.049719 -9.182688 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=633) -1 -18.742266 24.261512 -10.091602 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=633) -1 -19.196283 23.087575 -9.267912 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=634) -1 27.866051 -5.203047 10.844505 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=634) -1 28.649622 -4.947854 11.399842 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=634) -1 27.885713 -4.453614 10.208689 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=635) -1 -20.097477 23.664519 4.870142 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=635) -1 -20.119972 23.455774 5.843347 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=635) -1 -20.109887 24.636611 4.915797 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=636) -1 16.904161 -18.750721 -1.842571 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=636) -1 16.799118 -18.501542 -2.802234 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=636) -1 17.885011 -18.869338 -1.834548 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=637) -1 -20.419329 -13.588625 -13.973784 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=637) -1 -20.160780 -14.497835 -14.280105 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=637) -1 -19.548425 -13.137377 -14.159934 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=638) -1 -24.736233 -18.542398 1.387063 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=638) -1 -24.307922 -19.272606 0.887582 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=638) -1 -24.108578 -18.459575 2.135506 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=639) -1 32.724853 -6.444337 -4.288221 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=639) -1 32.828081 -6.482627 -5.249584 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=639) -1 31.940707 -7.042629 -4.174039 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=640) -1 -20.569601 3.679292 10.422410 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=640) -1 -21.449141 3.286437 10.682968 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=640) -1 -20.559583 3.393751 9.478848 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=641) -1 -15.967887 24.138554 -2.220484 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=641) -1 -16.666887 24.699170 -1.816531 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=641) -1 -15.743426 23.555903 -1.483934 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=642) -1 -24.046423 -23.012053 0.846559 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=642) -1 -23.634109 -23.419266 0.044352 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=642) -1 -23.762692 -23.638759 1.527650 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=643) -1 23.625745 11.420427 -13.304274 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=643) -1 23.615699 10.486186 -13.007929 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=643) -1 23.917979 11.860667 -12.476441 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=644) -1 -20.065571 8.468671 -6.940094 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=644) -1 -20.408377 9.024679 -6.199188 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=644) -1 -20.198436 7.576285 -6.534235 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=645) -1 -19.471682 21.303698 -9.584936 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=645) -1 -18.579921 21.289777 -10.027359 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=645) -1 -19.679554 20.330803 -9.705643 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=646) -1 -18.238832 -6.857458 13.454769 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=646) -1 -17.748221 -7.601818 13.062582 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=646) -1 -17.596005 -6.122124 13.315222 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=647) -1 -15.496897 30.746516 0.274767 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=647) -1 -14.781774 30.085468 0.424038 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=647) -1 -16.074970 30.519522 1.045557 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=648) -1 16.034843 15.253709 -3.254376 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=648) -1 16.237571 16.127313 -2.844340 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=648) -1 16.764111 14.720304 -2.871273 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=649) -1 -17.988040 9.211219 1.479410 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=649) -1 -18.239753 9.232303 2.433820 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=649) -1 -18.884324 9.157631 1.077365 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=650) -1 -18.514525 29.464750 -14.619370 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=650) -1 -18.716983 28.503881 -14.691362 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=650) -1 -19.137925 29.834596 -15.256468 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=651) -1 18.933050 1.961278 11.907798 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=651) -1 19.329793 1.951708 12.818672 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=651) -1 18.989291 1.006310 11.701394 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=652) -1 -1.672963 -17.735578 6.190137 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=652) -1 -2.125294 -18.578859 6.332848 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=652) -1 -1.559348 -17.420265 7.111098 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=653) -1 14.096567 -16.247003 4.525248 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=653) -1 14.007721 -15.277880 4.737906 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=653) -1 13.721179 -16.219808 3.608128 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=654) -1 11.567564 3.255034 8.656172 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=654) -1 12.082345 2.848331 9.386483 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=654) -1 11.523959 2.491517 8.037128 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=655) -1 22.347419 -10.595984 -3.312192 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=655) -1 21.808513 -10.942748 -4.070455 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=655) -1 22.510541 -9.687391 -3.658772 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=656) -1 -9.510702 28.113138 -8.286068 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=656) -1 -10.463298 27.928758 -8.174909 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=656) -1 -9.371282 27.777742 -9.198275 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=657) -1 18.197329 13.812944 -2.144571 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=657) -1 17.837094 13.017438 -2.607056 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=657) -1 18.768479 13.366946 -1.480957 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=658) -1 -25.501494 -17.704763 -8.251277 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=658) -1 -25.416726 -16.989863 -8.938995 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=658) -1 -24.641046 -17.593890 -7.801603 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=659) -1 1.048492 11.062234 7.215500 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=659) -1 1.832944 11.502084 7.585073 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=659) -1 1.319879 10.112897 7.341993 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=660) -1 -13.153749 11.618435 -12.049001 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=660) -1 -13.704144 10.894484 -12.458265 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=660) -1 -12.807745 11.099362 -11.275376 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=661) -1 30.921121 -0.054229 16.997278 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=661) -1 31.369886 -0.592978 16.305238 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=661) -1 30.182397 -0.663339 17.216626 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=662) -1 24.226431 -11.844759 -15.673574 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=662) -1 24.620777 -12.624861 -15.233716 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=662) -1 23.389247 -11.763055 -15.157181 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=663) -1 -12.433057 14.023598 -8.208128 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=663) -1 -13.419751 13.957936 -8.258047 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=663) -1 -12.234814 13.068558 -8.019104 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=664) -1 29.935930 5.479988 -4.324160 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=664) -1 29.689238 4.566489 -4.068231 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=664) -1 29.320683 5.622896 -5.076915 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=665) -1 -8.467738 -20.650955 2.294805 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=665) -1 -8.022004 -20.667124 3.184903 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=665) -1 -9.114225 -21.384109 2.452560 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=666) -1 25.920879 -6.075730 12.466028 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=666) -1 26.360083 -5.758051 13.272188 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=666) -1 26.610042 -5.828938 11.793191 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=667) -1 10.795160 -16.359680 -9.422410 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=667) -1 11.155531 -15.766040 -8.721243 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=667) -1 11.100351 -17.225251 -9.078530 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=668) -1 -25.207970 12.228920 4.536663 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=668) -1 -24.729680 11.561290 5.095688 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=668) -1 -25.937389 11.671897 4.212640 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=669) -1 -13.542200 3.863543 -9.920041 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=669) -1 -13.776403 3.005072 -10.321317 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=669) -1 -14.228782 4.437213 -10.334289 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=670) -1 12.683106 14.665232 0.687751 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=670) -1 13.526192 14.284174 0.984428 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=670) -1 12.317989 14.992783 1.540235 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=671) -1 13.968517 -16.322209 -2.884300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=671) -1 14.092929 -16.983128 -3.607833 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=671) -1 12.982037 -16.287544 -2.882531 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=672) -1 -6.049908 -19.845314 -2.194637 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=672) -1 -6.287051 -19.586229 -1.283146 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=672) -1 -6.168269 -18.997199 -2.666438 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=673) -1 -15.029074 -23.032274 0.756427 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=673) -1 -14.047334 -22.967375 0.876753 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=673) -1 -15.299851 -22.507626 1.559279 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=674) -1 -12.938885 26.090213 -14.406985 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=674) -1 -11.957502 26.117956 -14.353441 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=674) -1 -13.050403 25.484802 -15.173224 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=675) -1 0.244226 -12.105709 -5.303752 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=675) -1 0.816036 -12.904565 -5.226778 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=675) -1 -0.632808 -12.530993 -5.122347 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=676) -1 -11.729143 13.690208 -3.814008 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=676) -1 -12.270783 14.487042 -3.981878 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=676) -1 -12.429474 13.027267 -3.645937 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=677) -1 10.920621 -18.070347 2.910664 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=677) -1 10.351176 -17.825701 2.146806 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=677) -1 11.695893 -18.430777 2.439031 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=678) -1 -16.330216 26.650880 -15.753862 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=678) -1 -15.782601 27.264587 -15.221578 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=678) -1 -17.225206 26.891128 -15.445970 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=679) -1 -7.833766 4.651862 18.286024 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=679) -1 -8.441517 5.394772 18.081140 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=679) -1 -8.479073 3.901842 18.238151 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=680) -1 -15.284776 16.346720 -4.210950 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=680) -1 -15.469445 15.672080 -4.907899 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=680) -1 -14.319632 16.218265 -4.112413 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=681) -1 -11.197936 16.699938 15.728173 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=681) -1 -10.244915 16.623434 15.959946 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=681) -1 -11.557129 15.933766 16.219027 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=682) -1 20.977746 15.269365 -9.451284 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=682) -1 20.524399 15.685564 -8.683533 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=682) -1 20.247561 14.764722 -9.844297 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=683) -1 -8.435596 -13.085546 -13.580782 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=683) -1 -9.104134 -12.397562 -13.763375 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=683) -1 -8.954698 -13.701769 -13.021548 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=684) -1 11.360022 -9.449559 -8.617758 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=684) -1 11.658732 -10.265274 -9.050001 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=684) -1 11.325842 -9.764329 -7.673553 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=685) -1 -22.090892 13.453517 10.420197 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=685) -1 -21.886426 13.737757 9.502913 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=685) -1 -22.645132 12.659828 10.224620 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=686) -1 -22.838301 0.476328 -12.938474 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=686) -1 -23.341860 -0.022557 -12.241147 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=686) -1 -22.485452 1.201380 -12.365371 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=687) -1 19.083964 19.032940 -4.883296 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=687) -1 18.737909 18.985219 -5.804745 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=687) -1 19.452782 18.112064 -4.818559 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=688) -1 -5.217189 12.108014 6.961398 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=688) -1 -4.685093 12.756768 6.446249 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=688) -1 -6.120188 12.469789 6.788398 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=689) -1 19.636814 -17.726008 -4.208449 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=689) -1 19.681422 -18.314211 -3.426907 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=689) -1 20.079226 -16.926629 -3.843015 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=690) -1 -29.665255 -23.687645 -7.810889 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=690) -1 -29.276594 -23.566934 -8.685809 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=690) -1 -29.970401 -22.777384 -7.605657 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=691) -1 10.079834 -1.070068 10.709160 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=691) -1 9.996271 -1.955699 11.096689 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=691) -1 9.391772 -1.134518 9.993366 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=692) -1 10.641390 12.144988 12.999280 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=692) -1 10.461246 11.498920 13.729613 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=692) -1 10.781029 11.491463 12.264784 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=693) -1 21.137235 -7.875818 -15.144339 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=693) -1 21.672805 -7.379437 -14.473483 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=693) -1 21.034286 -8.724531 -14.628543 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=694) -1 32.030363 6.769323 -1.334320 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=694) -1 32.230093 6.141820 -2.062700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=694) -1 32.278080 6.207015 -0.559641 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=695) -1 18.198331 -12.013293 10.770629 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=695) -1 18.674466 -12.851336 10.568580 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=695) -1 18.724594 -11.389694 10.226669 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=696) -1 -5.069465 8.669628 9.478989 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=696) -1 -5.647171 8.618977 8.677642 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=696) -1 -5.746842 8.481663 10.170566 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=697) -1 -3.159995 7.534285 -6.996321 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=697) -1 -2.252933 7.179622 -7.190010 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=697) -1 -3.691752 6.812617 -7.411027 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=698) -1 -19.115860 24.119531 -6.467736 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=698) -1 -19.542962 23.227626 -6.464003 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=698) -1 -18.958019 24.204522 -7.438008 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=699) -1 18.669952 -7.410655 -16.275348 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=699) -1 18.327029 -8.332802 -16.218198 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=699) -1 19.586425 -7.563588 -15.938451 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=700) -1 34.268924 10.422541 -1.913613 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=700) -1 35.174247 10.140988 -1.730569 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=700) -1 33.771329 9.895990 -1.244992 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=701) -1 -30.152567 -18.921951 -0.103642 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=701) -1 -29.444606 -19.528416 -0.428399 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=701) -1 -29.878592 -18.798911 0.814214 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=703) -1 -1.930689 0.851499 -11.173519 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=703) -1 -1.058398 1.300860 -11.331681 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=703) -1 -1.610998 -0.085535 -11.177268 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=704) -1 9.917915 12.822285 -13.397858 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=704) -1 9.912024 13.512272 -12.699146 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=704) -1 8.976820 12.639109 -13.495303 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=705) -1 15.446046 -17.510912 -6.666124 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=705) -1 14.799160 -16.948331 -7.163715 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=705) -1 14.814696 -17.902878 -6.009344 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=706) -1 -14.211515 14.169585 4.782492 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=706) -1 -14.456764 13.798296 3.898791 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=706) -1 -14.407993 13.362621 5.329582 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=707) -1 -11.762520 15.287662 -10.491509 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=707) -1 -11.922692 14.821968 -9.630975 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=707) -1 -11.096813 15.947145 -10.183279 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=708) -1 7.378749 -13.926755 4.360832 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=708) -1 7.456968 -14.683315 4.985706 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=708) -1 8.329505 -13.792682 4.151304 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=709) -1 18.176797 12.369200 11.266423 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=709) -1 18.437998 12.948442 12.021699 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=709) -1 18.506909 12.940950 10.521967 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=710) -1 -31.735832 -19.731892 -3.666458 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=710) -1 -32.215179 -20.449371 -4.120537 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=710) -1 -31.210351 -19.371228 -4.418571 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=711) -1 -7.833053 26.921337 -6.571796 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=711) -1 -7.356836 27.637362 -6.122382 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=711) -1 -8.479890 27.450000 -7.105317 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=712) -1 9.202115 -3.617141 2.982849 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=712) -1 9.469552 -2.691599 3.206348 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=712) -1 8.362897 -3.435974 2.512606 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=713) -1 0.168232 8.478691 -4.508478 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=713) -1 0.778632 8.464380 -3.728286 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=713) -1 0.501300 7.661020 -4.962181 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=715) -1 36.862511 -2.519898 4.753398 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=715) -1 36.356642 -2.585898 5.594977 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=715) -1 36.601749 -1.607712 4.481585 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=716) -1 16.646270 -5.780533 -15.490275 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=716) -1 17.271935 -6.474422 -15.822223 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=716) -1 16.611958 -6.064529 -14.540429 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=717) -1 -28.957472 22.686683 1.594956 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=717) -1 -29.417302 23.324544 2.159325 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=717) -1 -28.016614 22.946146 1.760219 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=718) -1 29.540062 2.874736 -3.453667 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=718) -1 28.603175 2.819078 -3.155543 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=718) -1 29.435133 2.526377 -4.375900 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=719) -1 -25.040802 -5.847419 -4.034356 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=719) -1 -24.654951 -5.864297 -4.947271 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=719) -1 -24.337214 -5.283035 -3.607885 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=720) -1 -7.048367 7.662202 11.127013 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=720) -1 -7.973314 7.515175 11.458411 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=720) -1 -6.851084 6.758018 10.804233 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=721) -1 31.444552 8.346131 7.942510 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=721) -1 31.526414 7.541265 8.489551 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=721) -1 32.226862 8.243086 7.354708 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=722) -1 29.463928 6.961860 11.396311 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=722) -1 29.623318 7.744063 11.959739 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=722) -1 29.198593 6.312603 12.090784 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=723) -1 -28.714103 -18.818193 -13.292771 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=723) -1 -29.209858 -17.980837 -13.174109 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=723) -1 -28.089954 -18.535379 -14.005655 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=724) -1 -18.697766 16.324099 -9.158479 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=724) -1 -18.163548 16.419729 -8.335957 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=724) -1 -19.181472 15.491039 -8.934779 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=725) -1 -8.238425 12.331797 13.502318 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=725) -1 -8.934621 11.802924 13.970824 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=725) -1 -7.727940 11.575227 13.106608 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=726) -1 -19.159947 16.545896 1.988045 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=726) -1 -18.717094 16.091426 1.230026 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=726) -1 -18.461048 16.424664 2.670907 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=727) -1 -18.421969 14.055324 12.394301 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=727) -1 -19.334507 13.698075 12.528143 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=727) -1 -17.923632 13.377169 12.921594 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=728) -1 -10.635361 12.521368 4.062934 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=728) -1 -10.353748 13.296207 4.596569 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=728) -1 -11.292514 12.119130 4.664693 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=729) -1 -11.578321 8.715810 6.718000 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=729) -1 -11.541876 8.511251 5.761975 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=729) -1 -11.257909 7.857270 7.083075 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=730) -1 -12.390698 19.398693 11.028735 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=730) -1 -13.053713 18.882007 10.516847 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=730) -1 -12.503124 19.029899 11.912467 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=731) -1 -10.288320 6.812315 -6.864847 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=731) -1 -9.415363 6.950930 -7.306108 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=731) -1 -10.634888 6.081698 -7.426751 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=732) -1 -12.179456 -21.545453 4.961271 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=732) -1 -13.123390 -21.573654 5.236487 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=732) -1 -11.738707 -21.595472 5.835645 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=733) -1 -3.166501 -2.858411 20.495598 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=733) -1 -3.494483 -2.320574 21.253931 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=733) -1 -3.342080 -2.228385 19.761447 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=734) -1 2.286695 11.998833 -4.062366 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=734) -1 1.729125 12.097157 -3.249860 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=734) -1 1.597175 11.981623 -4.743825 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=735) -1 -14.620100 31.637152 -4.430367 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=735) -1 -13.868231 31.089201 -4.101359 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=735) -1 -14.913034 32.016587 -3.560254 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=736) -1 30.376602 4.134029 0.165403 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=736) -1 31.194687 4.660529 0.379221 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=736) -1 30.758089 3.577239 -0.558275 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=737) -1 -5.591131 -18.910282 13.296604 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=737) -1 -5.326180 -18.050465 12.875440 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=737) -1 -6.286587 -19.178148 12.650325 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=738) -1 7.620559 -8.446417 7.163616 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=738) -1 6.904330 -7.981958 6.662601 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=738) -1 8.168904 -8.733424 6.388977 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=739) -1 -24.259966 10.284474 6.199466 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=739) -1 -24.320073 9.355174 5.853558 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=739) -1 -23.452203 10.170402 6.762586 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=740) -1 -10.332665 26.493275 -0.355614 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=740) -1 -9.457182 26.695594 0.053172 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=740) -1 -10.019693 25.933838 -1.109736 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=741) -1 -0.951542 -17.465857 -6.616660 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=741) -1 -0.568316 -18.242187 -7.049031 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=741) -1 -1.889520 -17.532617 -6.913445 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=742) -1 8.002500 1.891772 12.949553 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=742) -1 7.137616 1.483559 12.793045 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=742) -1 7.826089 2.810370 12.621430 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=743) -1 29.041795 10.872593 14.328204 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=743) -1 29.914951 10.933793 14.743119 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=743) -1 28.981481 9.892949 14.192937 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=744) -1 -9.578833 2.731109 17.730471 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=744) -1 -9.883257 3.078356 16.866207 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=744) -1 -9.524928 1.770755 17.525126 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=745) -1 1.083682 -5.499744 -7.775155 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=745) -1 1.154453 -4.734312 -7.144966 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=745) -1 2.044333 -5.556217 -8.031631 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=746) -1 19.686339 -14.547677 7.011621 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=746) -1 19.685933 -14.484934 6.022473 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=746) -1 20.638099 -14.296242 7.161113 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=747) -1 33.572314 -0.799776 5.380916 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=747) -1 34.286902 -0.565687 4.742466 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=747) -1 33.621947 -0.010056 5.969351 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=748) -1 -20.293789 21.740532 -6.941918 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=748) -1 -21.232009 22.023176 -7.047568 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=748) -1 -20.088711 21.475774 -7.861722 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=749) -1 -10.967655 23.590814 -14.507995 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=749) -1 -10.219259 23.107976 -14.096675 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=749) -1 -10.600490 24.503832 -14.507931 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=750) -1 -9.682814 -2.501269 22.910156 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=750) -1 -9.268231 -1.631607 22.744116 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=750) -1 -10.530870 -2.245935 23.290531 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=751) -1 -29.158429 -12.402010 -8.201647 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=751) -1 -28.652666 -11.551512 -8.235962 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=751) -1 -28.982514 -12.724841 -9.113364 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=752) -1 -27.439863 -6.273724 -5.506134 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=752) -1 -26.675799 -6.312506 -4.890826 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=752) -1 -27.197619 -5.453551 -6.006774 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=753) -1 11.979697 1.864698 14.280433 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=753) -1 11.530482 1.554979 13.451719 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=753) -1 11.174375 2.138251 14.785094 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=754) -1 -1.488049 -2.109224 13.964484 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=754) -1 -1.780180 -1.887128 14.886491 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=754) -1 -0.820351 -2.807487 14.186575 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=755) -1 28.699366 5.505197 -11.510857 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=755) -1 28.143222 6.271910 -11.262818 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=755) -1 28.238861 5.217090 -12.332909 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=756) -1 -0.666537 12.881993 0.673051 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=756) -1 -0.267074 13.469445 0.009375 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=756) -1 0.033124 12.184766 0.729522 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=757) -1 28.078520 -7.544626 -3.014217 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=757) -1 28.322284 -8.232403 -2.348522 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=757) -1 27.504304 -8.101428 -3.598781 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=758) -1 -11.332909 -22.513999 -6.973005 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=758) -1 -11.358307 -23.373347 -6.487779 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=758) -1 -12.058608 -22.637894 -7.600117 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=759) -1 -8.687467 -10.430919 19.204038 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=759) -1 -7.972815 -11.112036 19.142775 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=759) -1 -8.256089 -9.824977 19.859287 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=760) -1 3.108666 0.658505 -12.931120 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=760) -1 2.551237 0.147037 -12.305376 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=760) -1 2.991757 1.561759 -12.562689 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=761) -1 14.118266 21.592663 4.627691 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=761) -1 14.732917 22.270246 4.278229 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=761) -1 14.698667 21.171050 5.300160 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=762) -1 22.068116 -13.294307 -2.616770 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=762) -1 22.733065 -13.399396 -3.340846 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=762) -1 22.037242 -12.314207 -2.575023 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=763) -1 -17.230494 16.038774 3.899981 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=763) -1 -17.570519 16.384046 4.758681 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=763) -1 -17.202559 15.072418 4.139729 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=764) -1 9.709404 -16.991541 0.675827 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=764) -1 10.054837 -16.132460 1.031214 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=764) -1 8.854070 -16.650680 0.303703 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=765) -1 -6.733562 6.859149 16.126856 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=765) -1 -5.997672 6.933470 16.786620 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=765) -1 -6.536581 5.952149 15.789585 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=766) -1 -14.659477 28.083598 -14.059038 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=766) -1 -14.059887 27.301817 -14.206128 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=766) -1 -13.976010 28.719353 -13.731873 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=767) -1 13.749392 5.253152 -21.499166 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=767) -1 13.543658 5.892835 -20.790487 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=767) -1 13.218041 4.483383 -21.196438 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=768) -1 -7.501149 9.258675 15.244029 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=768) -1 -8.470542 9.089763 15.322198 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=768) -1 -7.168697 8.369734 15.528558 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=769) -1 -8.818167 19.198123 -5.191458 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=769) -1 -9.135874 18.719863 -5.987841 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=769) -1 -9.280434 18.673687 -4.494054 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=770) -1 -12.539261 -18.603973 8.020045 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=770) -1 -13.272049 -18.952151 7.464771 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=770) -1 -13.078741 -18.118339 8.693566 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=771) -1 -4.737052 -6.866030 -10.434218 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=771) -1 -3.991919 -6.824638 -9.773825 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=771) -1 -4.843717 -5.893384 -10.580082 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=772) -1 11.034970 6.978164 -11.920664 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=772) -1 11.115506 7.815577 -12.437818 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=772) -1 11.850632 7.052072 -11.376012 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=773) -1 -27.037237 23.767783 -2.714922 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=773) -1 -26.596795 24.118583 -1.900396 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=773) -1 -27.849670 23.396512 -2.296475 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=774) -1 -14.777871 11.893287 6.067391 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=774) -1 -13.871730 11.549246 5.843085 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=774) -1 -15.007583 11.228017 6.768054 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=775) -1 15.233172 5.715368 12.658808 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=775) -1 14.675120 4.982969 12.997146 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=775) -1 16.010120 5.193403 12.337682 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=776) -1 -26.460043 4.195290 3.694784 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=776) -1 -25.872278 3.674745 4.291491 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=776) -1 -26.719304 3.483340 3.066741 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=777) -1 -26.268829 22.435377 -4.917209 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=777) -1 -26.577063 23.079485 -4.222506 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=777) -1 -26.672730 21.616770 -4.521070 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=778) -1 9.477630 4.847663 -16.301366 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=778) -1 9.723791 5.689760 -16.772104 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=778) -1 9.994211 4.220201 -16.870177 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=779) -1 9.270717 -16.157060 -6.923157 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=779) -1 10.154764 -15.703461 -7.029959 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=779) -1 9.096505 -16.364274 -7.862270 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=780) -1 35.958835 7.456364 2.202536 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=780) -1 35.807745 8.150942 2.868694 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=780) -1 35.036050 7.338160 1.871137 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=781) -1 -6.323146 -3.437659 22.011954 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=781) -1 -6.914601 -2.847390 21.494925 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=781) -1 -5.662125 -2.779824 22.324509 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=782) -1 -27.400437 20.455547 -3.467393 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=782) -1 -26.963320 20.316107 -2.605493 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=782) -1 -28.337869 20.327633 -3.213021 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=783) -1 23.588954 9.192868 -1.024765 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=783) -1 24.319777 8.677125 -0.636949 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=783) -1 23.691581 8.982646 -1.974339 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=784) -1 6.898507 5.735718 9.902211 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=784) -1 6.039375 5.327778 9.649122 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=784) -1 7.040277 5.307985 10.773639 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=785) -1 -23.734924 3.188505 -6.759029 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=785) -1 -23.105226 3.067145 -5.990910 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=785) -1 -23.727647 2.261072 -7.094261 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=786) -1 3.398873 4.437064 5.102951 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=786) -1 3.004601 4.572809 4.211216 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=786) -1 4.326460 4.211904 4.829938 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=787) -1 7.989791 -15.827289 6.235123 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=787) -1 8.433020 -15.326699 6.958932 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=787) -1 8.778605 -16.266227 5.837347 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=788) -1 -13.909508 1.648661 -13.736377 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=788) -1 -14.145072 1.483473 -12.796368 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=788) -1 -14.716270 1.263614 -14.171252 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=789) -1 27.765911 -12.743775 -10.319192 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=789) -1 26.843226 -12.446048 -10.159064 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=789) -1 27.758785 -12.730858 -11.309737 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=790) -1 -12.022546 -15.998806 -10.926018 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=790) -1 -12.925217 -15.815432 -10.608824 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=790) -1 -12.236346 -16.542296 -11.729046 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=791) -1 -16.814035 -10.094012 -14.343523 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=791) -1 -15.857751 -10.133813 -14.156059 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=791) -1 -17.069736 -9.297976 -13.847796 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=792) -1 27.006643 3.296836 -2.576206 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=792) -1 26.767268 4.099110 -3.093660 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=792) -1 27.219467 3.723560 -1.711798 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=793) -1 1.653053 8.270828 -2.297961 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=793) -1 2.196398 7.436306 -2.263805 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=793) -1 1.157082 8.165740 -1.460958 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=794) -1 12.439689 8.072750 -15.875830 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=794) -1 13.100195 8.804706 -15.849895 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=794) -1 12.916670 7.398061 -15.344995 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=795) -1 7.614877 -15.480188 -0.204898 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=795) -1 7.911934 -14.568011 -0.411242 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=795) -1 6.684906 -15.437716 -0.466456 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=796) -1 37.940158 -4.440184 3.136425 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=796) -1 37.739209 -3.692087 3.741920 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=796) -1 37.529017 -5.177040 3.604861 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=797) -1 -8.935432 -15.455589 -1.238370 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=797) -1 -8.639259 -15.467823 -2.178245 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=797) -1 -8.905676 -16.431580 -1.056158 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=798) -1 28.815796 5.346198 7.524329 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=798) -1 28.930106 6.232515 7.098968 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=798) -1 27.896026 5.154975 7.266672 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=799) -1 -12.124879 5.418970 -13.758322 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=799) -1 -11.191238 5.515218 -13.507584 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=799) -1 -12.019297 4.849618 -14.568171 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=801) -1 30.936288 -6.721675 2.118009 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=801) -1 30.357106 -6.953324 1.366917 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=801) -1 30.275571 -6.617461 2.834582 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=802) -1 -7.531197 20.841875 -3.516612 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=802) -1 -7.468062 20.103681 -2.853640 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=802) -1 -7.988120 20.323302 -4.237568 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=803) -1 34.961533 3.221851 5.494582 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=803) -1 35.382609 2.924558 4.651470 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=803) -1 35.103071 4.177588 5.434683 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=804) -1 -8.988759 -23.117907 5.196495 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=804) -1 -9.551127 -23.029005 4.403056 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=804) -1 -9.598183 -22.808617 5.894303 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=805) -1 3.508935 -0.225182 -3.933266 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=805) -1 4.088936 0.342925 -4.491937 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=805) -1 2.731033 0.386172 -3.864047 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=806) -1 -26.396032 -1.651653 6.370079 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=806) -1 -27.052244 -2.324082 6.608327 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=806) -1 -25.576719 -2.217482 6.351774 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=807) -1 -12.004771 5.195102 13.696107 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=807) -1 -12.518768 5.150494 12.850758 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=807) -1 -11.670130 6.132639 13.595141 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=808) -1 6.397826 -0.797672 -11.338737 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=808) -1 6.686111 -1.579587 -11.868900 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=808) -1 6.251307 -1.244326 -10.471504 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=809) -1 -15.443951 29.844412 -7.723091 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=809) -1 -14.592504 29.728518 -7.228251 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=809) -1 -15.087331 30.333232 -8.505231 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=810) -1 13.919797 -0.035660 14.695829 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=810) -1 14.526515 0.481321 15.241831 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=810) -1 13.191538 0.610926 14.559055 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=811) -1 -10.726887 -17.180600 -8.819764 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=811) -1 -11.077751 -18.085310 -9.040312 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=811) -1 -11.180606 -16.680132 -9.544670 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=812) -1 -19.371547 -21.818944 1.199047 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=812) -1 -20.103100 -21.801315 0.545505 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=812) -1 -18.617509 -22.025696 0.603857 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=813) -1 -16.427004 -4.945340 12.952941 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=813) -1 -16.527105 -4.274560 12.237836 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=813) -1 -15.719562 -5.500780 12.562770 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=814) -1 -0.587308 -16.762288 -0.281703 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=814) -1 -1.198154 -17.452575 0.058484 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=814) -1 -0.243361 -16.405685 0.563190 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=815) -1 -1.849193 -15.806858 -11.020811 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=815) -1 -2.108764 -14.948291 -11.408120 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=815) -1 -1.018706 -15.525633 -10.550806 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=816) -1 11.801864 9.086238 -13.403980 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=816) -1 11.698793 8.901093 -14.367203 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=816) -1 12.673427 8.608789 -13.269473 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=817) -1 22.630978 -2.868355 -18.374300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=817) -1 22.508772 -1.923642 -18.567800 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=817) -1 21.861615 -3.033880 -17.787470 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=818) -1 -17.222178 21.299934 -11.088443 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=818) -1 -16.878633 20.474175 -11.507499 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=818) -1 -16.369662 21.696661 -10.795988 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=819) -1 26.495838 11.705555 8.595432 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=819) -1 26.954901 10.912480 8.198433 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=819) -1 25.988533 11.970849 7.784527 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=820) -1 -26.549943 0.288913 -0.291144 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=820) -1 -26.932202 0.949940 0.307132 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=820) -1 -27.005381 0.482583 -1.128410 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=821) -1 -5.993341 0.504075 22.507086 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=821) -1 -5.804790 1.354522 22.044617 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=821) -1 -6.971036 0.497148 22.462945 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=822) -1 -7.906956 7.382024 -8.112674 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=822) -1 -7.547619 6.688958 -8.702648 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=822) -1 -7.060762 7.763665 -7.770066 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=823) -1 -22.575205 3.477276 6.789790 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=823) -1 -21.808329 2.993943 7.179485 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=823) -1 -22.078450 4.254150 6.414099 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=824) -1 17.226916 20.062366 -3.134716 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=824) -1 17.944752 19.880961 -3.785213 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=824) -1 17.077365 19.154245 -2.798492 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=825) -1 11.316421 10.434086 11.068585 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=825) -1 12.239807 10.794014 11.033998 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=825) -1 11.474688 9.541770 10.701782 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=826) -1 25.097761 -5.978748 -15.115034 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=826) -1 25.260268 -5.370993 -14.353368 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=826) -1 24.989457 -5.300122 -15.828136 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=827) -1 -7.536828 25.359335 -8.814677 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=827) -1 -6.860402 24.731141 -8.429568 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=827) -1 -7.631787 25.945723 -8.021830 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=828) -1 -10.585971 13.492433 16.306398 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=828) -1 -9.617688 13.603562 16.423657 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=828) -1 -10.586122 12.633895 15.816872 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=829) -1 -16.167520 15.640522 14.800617 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=829) -1 -15.540684 16.321952 15.123915 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=829) -1 -16.681365 16.154362 14.151221 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=830) -1 -16.270472 30.167233 -13.278947 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=830) -1 -17.144502 30.015695 -13.716279 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=830) -1 -15.803013 29.355258 -13.581725 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=831) -1 -18.122299 4.643009 15.217085 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=831) -1 -18.300403 5.600496 15.227239 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=831) -1 -18.424951 4.408402 14.315177 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=832) -1 -23.792445 23.740288 2.093195 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=832) -1 -23.448838 24.243025 1.326803 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=832) -1 -22.974783 23.299922 2.403787 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=833) -1 34.988675 -2.593677 6.778516 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=833) -1 34.505762 -3.452424 6.719240 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=833) -1 34.368158 -2.032262 6.249357 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=834) -1 -8.655003 -4.916145 21.987309 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=834) -1 -9.139722 -4.136091 22.344843 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=834) -1 -7.734255 -4.586173 22.074100 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=835) -1 -31.552025 -17.551749 -1.930037 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=835) -1 -31.082542 -18.015031 -1.187760 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=835) -1 -31.843118 -18.342501 -2.439627 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=836) -1 -17.255097 12.037097 13.740636 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=836) -1 -17.804215 11.266933 14.007741 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=836) -1 -16.579883 11.567552 13.184531 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=837) -1 0.972312 -0.693430 11.190004 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=837) -1 0.353764 -1.319027 10.778497 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=837) -1 0.396937 0.131763 11.162735 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=838) -1 -18.965603 -0.467713 -1.649862 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=838) -1 -18.304264 -0.773128 -1.002902 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=838) -1 -18.532664 0.346043 -1.982864 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=839) -1 19.769666 16.346310 11.200559 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=839) -1 20.248947 15.546270 10.857287 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=839) -1 19.009122 16.355052 10.601225 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=840) -1 32.870814 8.964367 -0.134804 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=840) -1 32.518443 8.224774 -0.707814 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=840) -1 33.107867 8.400721 0.653306 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=841) -1 -9.710003 12.647358 -6.444535 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=841) -1 -10.515831 12.289645 -6.889007 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=841) -1 -9.077792 11.926064 -6.676362 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=842) -1 -13.995724 28.466347 0.540067 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=842) -1 -13.678384 27.998693 1.345856 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=842) -1 -14.864888 28.034696 0.416049 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=843) -1 9.016670 5.254391 14.427720 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=843) -1 9.835916 5.702874 14.148276 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=843) -1 9.371429 4.437312 14.822599 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=844) -1 -22.937361 -12.574592 -14.389414 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=844) -1 -22.038155 -12.967375 -14.460466 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=844) -1 -22.750535 -11.836248 -13.777663 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=845) -1 7.020106 14.409105 -5.433801 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=845) -1 6.050010 14.292201 -5.299670 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=845) -1 7.001038 14.849276 -6.321241 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=846) -1 13.498723 -16.245135 -10.366728 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=846) -1 13.576815 -16.142358 -9.384050 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=846) -1 12.532995 -16.131444 -10.464290 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=847) -1 -0.879671 0.971400 15.265897 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=847) -1 -0.076343 0.463931 15.000955 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=847) -1 -1.074230 1.393268 14.381973 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=848) -1 -24.727638 6.164311 3.039524 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=848) -1 -25.498802 5.589166 3.243580 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=848) -1 -24.762386 6.793173 3.776759 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=849) -1 10.143579 -13.999602 4.294777 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=849) -1 10.277187 -14.922135 4.623865 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=849) -1 10.448143 -13.503211 5.089999 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=850) -1 -9.471265 11.509918 -3.864308 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=850) -1 -8.576228 11.816931 -3.595739 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=850) -1 -9.654628 12.137641 -4.593392 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=851) -1 -24.372580 -26.776498 -4.717559 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=851) -1 -24.062495 -26.340465 -5.551380 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=851) -1 -23.589124 -26.587695 -4.150675 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=852) -1 -21.048737 22.861653 -11.227596 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=852) -1 -20.687158 22.168212 -10.630878 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=852) -1 -20.447541 22.732861 -11.999420 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=853) -1 -30.177671 -18.772797 -5.719311 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=853) -1 -29.439118 -18.506103 -6.326895 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=853) -1 -30.166801 -17.960763 -5.139887 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=854) -1 5.712940 0.769187 -13.423757 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=854) -1 5.921107 0.195459 -12.644136 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=854) -1 4.724570 0.655279 -13.421615 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=855) -1 -20.166164 23.192079 7.478897 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=855) -1 -20.684758 23.519677 8.259174 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=855) -1 -20.138764 22.235508 7.709186 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=856) -1 -17.864848 17.102222 -11.653615 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=856) -1 -17.311881 16.363715 -12.002639 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=856) -1 -18.114348 16.710589 -10.781011 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=857) -1 3.094420 -5.112035 -2.452346 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=857) -1 3.022410 -4.331555 -3.040373 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=857) -1 2.999155 -4.667098 -1.573175 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=858) -1 -5.591859 4.944912 19.719183 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=858) -1 -6.460750 4.840324 19.262036 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=858) -1 -5.190836 5.634474 19.148660 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=859) -1 7.627207 12.206715 -3.936395 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=859) -1 8.508721 12.357898 -3.509760 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=859) -1 7.511765 13.085620 -4.368842 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=860) -1 -11.645444 9.983292 -3.709059 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=860) -1 -11.594151 9.700294 -4.653542 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=860) -1 -10.836147 10.563715 -3.690626 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=861) -1 -12.149027 27.271977 -8.032310 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=861) -1 -12.785371 26.608008 -8.387210 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=861) -1 -11.767451 26.743102 -7.289933 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=862) -1 -11.941052 13.283126 -13.790676 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=862) -1 -11.514153 12.650884 -14.386204 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=862) -1 -12.372996 12.664482 -13.151982 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=863) -1 32.947647 -0.482299 12.908076 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=863) -1 32.891820 0.493319 12.897170 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=863) -1 33.815643 -0.603296 12.453443 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=864) -1 -14.859073 -21.350315 5.511026 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=864) -1 -14.934328 -20.628939 6.188356 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=864) -1 -15.739122 -21.779842 5.663056 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=865) -1 1.825052 -13.197256 -1.508575 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=865) -1 1.802314 -13.349794 -0.529655 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=865) -1 1.211789 -13.915694 -1.791072 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=866) -1 -26.844478 -12.592361 -0.161428 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=866) -1 -25.953298 -12.464253 -0.572844 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=866) -1 -26.979109 -11.666513 0.166492 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=867) -1 9.495158 2.563918 15.147770 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=867) -1 8.958070 2.279282 14.373467 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=867) -1 8.934479 2.273284 15.879811 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=868) -1 -8.254593 -0.058544 12.436076 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=868) -1 -7.697094 -0.277347 11.648483 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=868) -1 -7.615995 0.497468 12.930656 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=869) -1 16.103362 20.255015 5.971252 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=869) -1 16.485221 20.048611 5.092077 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=869) -1 16.073137 19.362338 6.369536 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=870) -1 35.486423 -5.971265 0.210458 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=870) -1 34.940504 -5.854857 -0.592914 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=870) -1 34.868142 -6.476796 0.776336 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=871) -1 -12.984397 11.376786 14.523096 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=871) -1 -13.805928 11.875820 14.701326 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=871) -1 -13.352532 10.556348 14.131816 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=872) -1 -2.253915 -1.261098 16.378587 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=872) -1 -1.858063 -0.372865 16.302752 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=872) -1 -2.807498 -1.164374 17.171793 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=873) -1 -0.557677 -7.555780 -7.549051 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=873) -1 0.036555 -6.763424 -7.648016 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=873) -1 -0.133048 -8.160549 -8.177569 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=874) -1 -20.444267 9.183635 0.200705 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=874) -1 -20.810111 9.095831 1.123417 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=874) -1 -21.097825 8.650618 -0.282176 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=875) -1 -25.350485 22.129280 -7.430159 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=875) -1 -25.752058 22.290720 -6.541843 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=875) -1 -25.950078 21.455795 -7.777905 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=876) -1 13.656009 -11.092589 9.267559 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=876) -1 13.387516 -10.459010 9.954739 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=876) -1 14.387134 -11.561227 9.760993 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=877) -1 27.873584 1.245454 15.335391 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=877) -1 27.748007 0.262156 15.275373 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=877) -1 27.075345 1.522398 14.830467 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=878) -1 -17.301870 13.601665 4.998763 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=878) -1 -17.202328 12.675229 4.689519 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=878) -1 -16.933494 13.519661 5.904841 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=879) -1 -7.972108 22.617812 -1.400652 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=879) -1 -7.992238 21.850191 -0.770946 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=879) -1 -7.789577 22.111730 -2.230755 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=880) -1 -21.457603 8.987015 10.335205 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=880) -1 -21.139338 9.419413 11.165727 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=880) -1 -21.054568 8.097464 10.455344 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=881) -1 -26.571949 16.726732 -0.601267 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=881) -1 -26.485526 15.995568 -1.228480 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=881) -1 -25.779730 16.577456 -0.034196 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=882) -1 24.908476 -12.046350 4.935799 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=882) -1 24.520536 -12.754913 4.361366 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=882) -1 24.666124 -12.415513 5.817645 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=883) -1 16.029572 3.842871 -21.765524 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=883) -1 16.509717 4.269450 -21.020049 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=883) -1 15.239625 4.432300 -21.810116 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=884) -1 10.760332 12.926035 -0.131634 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=884) -1 11.488315 13.571533 0.032703 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=884) -1 10.248834 13.052206 0.700440 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=885) -1 -15.294450 10.965136 12.330201 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=885) -1 -15.046704 11.185654 11.412771 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=885) -1 -14.667487 10.236866 12.521883 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=886) -1 -1.796656 -10.232272 15.021882 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=886) -1 -1.942756 -11.209481 15.053762 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=886) -1 -0.858445 -10.236894 14.700375 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=887) -1 21.754449 0.142920 15.651330 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=887) -1 21.859590 -0.649133 15.092122 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=887) -1 22.574906 0.139049 16.160174 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=888) -1 -10.888372 25.275444 2.047217 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=888) -1 -10.876695 25.741076 1.176486 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=888) -1 -10.063094 24.745589 1.945659 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=889) -1 25.732754 -13.501058 12.251326 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=889) -1 25.198479 -13.279976 11.466842 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=889) -1 25.538628 -12.733685 12.828918 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=890) -1 6.405993 3.367881 -10.074899 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=890) -1 6.140580 3.519583 -11.012061 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=890) -1 7.091087 2.672812 -10.218459 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=891) -1 -4.436732 -10.952395 14.977263 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=891) -1 -3.633158 -10.414080 14.806387 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=891) -1 -4.039984 -11.852198 14.916671 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=892) -1 -29.764933 -14.220424 -6.363227 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=892) -1 -29.668182 -14.957084 -7.012763 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=892) -1 -29.546194 -13.464523 -6.974443 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=893) -1 -6.531510 -0.244211 -13.192257 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=893) -1 -6.739759 0.536724 -13.739583 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=893) -1 -7.273598 -0.180829 -12.534356 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=894) -1 -17.959809 7.504441 14.733080 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=894) -1 -16.983134 7.409536 14.745593 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=894) -1 -18.125900 7.280212 13.782555 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=895) -1 25.278824 -10.184898 10.133665 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=895) -1 24.972726 -11.071285 10.411759 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=895) -1 25.286799 -9.719502 10.999559 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=896) -1 11.520751 6.282796 13.405737 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=896) -1 12.122119 6.831157 12.836731 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=896) -1 11.675619 6.768572 14.263841 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=897) -1 -14.057144 -15.175076 18.045085 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=897) -1 -14.036828 -15.992068 18.597427 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=897) -1 -13.282915 -14.704010 18.427142 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=898) -1 20.077588 -14.221893 4.347622 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=898) -1 19.858334 -13.284378 4.157211 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=898) -1 19.807095 -14.623572 3.480542 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=899) -1 9.363415 10.903696 3.105300 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=899) -1 9.386106 11.838302 2.823677 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=899) -1 9.994311 10.502710 2.481696 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=900) -1 -25.422464 -10.430048 -10.103168 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=900) -1 -25.528295 -11.313826 -10.533218 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=900) -1 -24.493806 -10.232872 -10.405765 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=901) -1 27.984156 5.762518 -6.232976 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=901) -1 27.721248 4.965101 -6.751657 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=901) -1 27.834179 6.454323 -6.922225 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=902) -1 -26.608824 -9.898181 0.369654 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=902) -1 -27.249993 -9.176367 0.297621 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=902) -1 -25.780287 -9.381046 0.528228 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=903) -1 34.082655 1.256626 7.084755 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=903) -1 33.545787 1.773323 7.718337 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=903) -1 34.424512 1.996444 6.518277 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=904) -1 -12.351173 19.587348 6.371547 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=904) -1 -11.460221 19.490098 5.986541 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=904) -1 -12.131717 19.874041 7.279965 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=905) -1 33.526717 -7.305663 1.696208 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=905) -1 32.601808 -7.047664 1.953368 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=905) -1 33.914581 -7.370278 2.604109 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=906) -1 -26.347475 23.057697 2.134769 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=906) -1 -25.420434 23.418031 2.220612 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=906) -1 -26.187070 22.184550 2.579785 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=907) -1 2.615401 -15.366981 10.672184 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=907) -1 2.028885 -15.479538 9.875932 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=907) -1 2.800473 -16.299927 10.869419 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=908) -1 -22.879794 13.144902 0.865802 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=908) -1 -22.170957 13.663368 0.418120 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=908) -1 -22.628052 12.243176 0.615063 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=909) -1 13.570937 -18.233392 -4.838933 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=909) -1 12.639822 -18.140428 -5.150901 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=909) -1 13.425306 -18.945706 -4.160720 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=910) -1 9.334105 -6.499586 8.060197 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=910) -1 8.641834 -7.155629 7.847217 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=910) -1 8.805551 -5.675335 8.082790 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=911) -1 -27.831380 -16.105704 -10.470693 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=911) -1 -27.803472 -17.105048 -10.548499 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=911) -1 -26.841494 -15.980719 -10.327398 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=912) -1 12.249960 7.582428 15.614934 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=912) -1 13.093551 7.085437 15.759060 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=912) -1 12.600956 8.501533 15.720039 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=913) -1 -25.931702 24.317115 -0.328233 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=913) -1 -25.034590 24.655151 -0.133306 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=913) -1 -26.156957 23.899942 0.527436 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=914) -1 -1.712829 12.767169 3.304842 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=914) -1 -2.003625 11.883544 2.961769 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=914) -1 -1.352767 13.136665 2.464834 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=915) -1 19.226948 -17.249128 -9.048195 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=915) -1 19.814529 -17.270868 -9.835129 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=915) -1 19.680071 -16.567722 -8.511067 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=916) -1 -6.259805 10.842110 -5.461202 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=916) -1 -5.456909 10.564296 -4.946552 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=916) -1 -6.599558 11.527237 -4.837391 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=917) -1 24.147742 -12.819362 10.038137 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=917) -1 24.204187 -12.748397 9.054954 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=917) -1 23.508843 -13.561228 10.109478 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=918) -1 1.492074 -0.402912 -10.994185 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=918) -1 1.833229 -0.807184 -10.175750 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=918) -1 0.671700 -0.926761 -11.126256 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=919) -1 26.740185 -9.442616 -4.443811 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=919) -1 26.091054 -10.119780 -4.134988 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=919) -1 26.585239 -9.512158 -5.417843 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=920) -1 -10.952795 26.054346 -5.838736 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=920) -1 -10.170443 25.566324 -5.488557 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=920) -1 -11.516146 25.290690 -6.100063 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=921) -1 -21.669699 22.326396 3.150858 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=921) -1 -21.158857 22.797579 3.850761 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=921) -1 -22.190136 21.709005 3.715199 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=922) -1 -4.831089 -7.878678 20.940003 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=922) -1 -3.906728 -8.179855 20.764361 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=922) -1 -4.655674 -6.919557 21.090404 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=923) -1 30.249108 2.351591 15.945206 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=923) -1 30.592077 1.551707 16.417498 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=923) -1 29.345620 2.005459 15.720490 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=924) -1 -18.699978 10.766024 -7.733186 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=924) -1 -19.567237 11.090145 -8.082325 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=924) -1 -18.951792 9.829026 -7.555393 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=925) -1 12.632415 -17.264507 6.535854 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=925) -1 13.169856 -18.015002 6.831710 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=925) -1 13.193738 -16.923870 5.796402 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=926) -1 -20.554206 6.647150 -14.626830 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=926) -1 -20.023589 5.926784 -15.040179 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=926) -1 -21.452682 6.244087 -14.709846 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=927) -1 -13.540044 8.638348 -8.033295 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=927) -1 -13.503901 8.844272 -7.077138 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=927) -1 -14.385854 8.126517 -8.061062 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=929) -1 -30.034754 -24.669798 -5.321717 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=929) -1 -29.617810 -25.569561 -5.294498 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=929) -1 -29.892525 -24.469838 -6.280846 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=930) -1 23.653828 -7.869133 -16.453634 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=930) -1 22.731991 -7.882615 -16.125979 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=930) -1 24.055241 -7.225606 -15.827869 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=931) -1 -23.279272 25.170630 -0.197414 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=931) -1 -22.545210 25.799390 -0.006769 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=931) -1 -23.325767 25.239989 -1.164273 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=932) -1 -15.430951 4.186582 13.031558 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=932) -1 -15.973248 3.769152 12.319803 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=932) -1 -14.665750 4.486644 12.484760 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=933) -1 -28.656890 18.432648 -0.496634 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=933) -1 -27.932109 17.760739 -0.548241 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=933) -1 -28.412248 18.865239 0.351350 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=934) -1 0.440673 -3.256783 -9.397927 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=934) -1 0.585683 -4.105406 -8.933631 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=934) -1 1.105456 -2.693640 -8.943459 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=935) -1 -9.189951 22.315294 -12.885931 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=935) -1 -8.710422 22.672276 -12.105931 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=935) -1 -10.027339 22.032029 -12.463094 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=936) -1 -25.831095 0.948173 7.119748 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=936) -1 -26.021383 1.298348 6.230813 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=936) -1 -26.041142 -0.002593 6.983224 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=937) -1 21.557204 15.044504 -1.893371 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=937) -1 20.736788 15.583870 -1.969098 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=937) -1 21.853024 15.284645 -1.003554 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=938) -1 -28.344530 -23.448780 -3.595034 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=938) -1 -28.947553 -23.957830 -4.191301 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=938) -1 -29.012142 -22.852718 -3.176161 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=939) -1 24.321417 -1.022057 -12.650150 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=939) -1 24.988656 -1.381237 -12.036803 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=939) -1 23.496732 -1.369640 -12.248064 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=940) -1 23.827373 12.106402 12.056620 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=940) -1 22.852268 12.075552 12.239489 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=940) -1 23.852257 12.981187 11.591847 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=941) -1 3.282753 -2.004708 11.879391 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=941) -1 2.498621 -1.479872 11.596654 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=941) -1 3.648025 -2.241693 11.000044 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=942) -1 -25.920837 4.692709 -6.650811 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=942) -1 -25.160599 4.059903 -6.703938 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=942) -1 -26.633489 4.050198 -6.415658 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=943) -1 23.506937 16.072931 13.066353 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=943) -1 24.399653 15.648783 13.149832 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=943) -1 23.713605 16.968530 13.369879 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=944) -1 -3.342864 4.721553 16.634288 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=944) -1 -3.702653 3.805974 16.679141 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=944) -1 -2.535949 4.533419 16.083428 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=945) -1 -9.621838 -14.861842 -11.830621 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=945) -1 -9.179159 -15.011868 -10.964254 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=945) -1 -10.518757 -15.209126 -11.613025 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=946) -1 14.559505 6.182908 15.456213 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=946) -1 14.170248 5.339743 15.130896 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=946) -1 15.167014 6.385237 14.721606 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=947) -1 -4.788624 -4.090321 -10.805147 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=947) -1 -3.814944 -3.998562 -10.950182 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=947) -1 -5.021343 -3.126739 -10.757963 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=948) -1 -17.171765 1.742343 -17.212645 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=948) -1 -18.138753 1.757607 -17.097426 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=948) -1 -16.940920 2.652154 -16.916283 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=949) -1 22.362952 11.499390 -0.521432 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=949) -1 22.782219 11.693073 0.362031 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=949) -1 22.820778 10.632504 -0.696698 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=950) -1 -3.215136 -16.920471 -13.107959 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=950) -1 -2.644824 -16.708427 -12.333529 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=950) -1 -2.718770 -17.644315 -13.511892 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=951) -1 -24.038557 -5.374903 1.030458 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=951) -1 -24.066224 -4.607434 1.646446 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=951) -1 -23.162458 -5.743576 1.260631 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=952) -1 -8.439215 10.249948 -7.010730 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=952) -1 -7.629589 10.424848 -6.470772 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=952) -1 -8.112643 9.513892 -7.564403 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=953) -1 -21.131790 11.618428 -8.610532 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=953) -1 -21.308917 10.742206 -9.041750 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=953) -1 -21.831568 11.595692 -7.920054 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=954) -1 27.198134 -13.956681 -7.983881 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=954) -1 27.648771 -13.583574 -8.785265 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=954) -1 26.576029 -14.572277 -8.445962 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=955) -1 -12.239504 -19.285152 14.319558 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=955) -1 -11.985156 -20.077285 13.784646 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=955) -1 -11.906950 -18.585387 13.694943 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=956) -1 20.718457 -17.054001 -11.402667 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=956) -1 19.882880 -16.634543 -11.763966 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=956) -1 20.963950 -17.555920 -12.223472 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=957) -1 3.444428 9.819067 -0.172437 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=957) -1 4.349570 9.513681 0.059551 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=957) -1 3.542416 9.897349 -1.145478 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=958) -1 26.773885 -11.285562 -1.425881 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=958) -1 26.611690 -12.186709 -1.114489 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=958) -1 26.138035 -11.234396 -2.178074 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=959) -1 -3.722533 -17.082415 9.897459 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=959) -1 -4.185904 -16.845547 10.742042 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=959) -1 -4.532212 -17.162565 9.315610 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=960) -1 3.824648 3.811783 -9.289349 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=960) -1 4.794858 3.686931 -9.383449 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=960) -1 3.738614 3.823357 -8.315981 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=961) -1 29.231216 -10.451552 -4.176510 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=961) -1 28.313154 -10.085978 -4.264351 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=961) -1 29.165134 -11.148670 -4.878696 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=962) -1 25.609566 10.044475 -10.934028 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=962) -1 24.844008 9.593616 -11.371171 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=962) -1 25.224949 10.954674 -10.870378 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=963) -1 -10.080981 -23.154370 -3.417120 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=963) -1 -9.152612 -22.836047 -3.373840 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=963) -1 -10.000023 -23.953565 -2.832735 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=964) -1 7.663896 4.438525 12.209376 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=964) -1 8.571486 4.580725 11.809131 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=964) -1 7.842270 4.883431 13.078154 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=965) -1 -20.345310 21.511308 0.945138 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=965) -1 -20.799615 21.660744 1.805437 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=965) -1 -19.485824 21.159228 1.262102 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=966) -1 -8.177863 -9.319695 -12.938485 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=966) -1 -7.589034 -8.519870 -12.911042 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=966) -1 -7.479718 -9.995511 -12.711773 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=967) -1 -6.669795 -17.604431 -3.799989 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=967) -1 -7.152047 -18.139965 -4.489194 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=967) -1 -7.337239 -16.884600 -3.696219 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=968) -1 -14.726899 4.279434 -13.928177 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=968) -1 -14.415979 3.345111 -13.961200 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=968) -1 -13.863027 4.742230 -13.966856 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=969) -1 -25.197443 18.123551 2.758618 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=969) -1 -25.121261 17.481578 3.509986 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=969) -1 -25.202831 17.473356 2.013223 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=970) -1 -10.317502 -25.407604 -2.053651 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=970) -1 -10.727210 -25.477421 -1.161331 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=970) -1 -10.990581 -25.898136 -2.578974 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=971) -1 1.154600 -15.723884 8.492629 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=971) -1 1.350356 -15.912601 7.547460 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=971) -1 0.220923 -16.036349 8.533201 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=972) -1 -9.272574 -14.890080 13.006601 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=972) -1 -9.587725 -15.378805 13.795035 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=972) -1 -8.479190 -15.439833 12.784335 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=973) -1 -15.529734 1.777308 18.384212 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=973) -1 -15.742861 0.854664 18.109194 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=973) -1 -15.344750 1.617936 19.340197 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=974) -1 32.275067 2.080080 9.092949 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=974) -1 31.962891 1.146054 9.039818 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=974) -1 31.638567 2.482528 8.439316 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=975) -1 3.708502 9.922359 -2.973770 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=975) -1 3.289833 10.680866 -3.444569 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=975) -1 2.921835 9.337787 -2.875318 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=976) -1 -15.162621 13.149526 15.137052 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=976) -1 -15.923762 12.669605 14.728371 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=976) -1 -15.537034 14.068935 15.092279 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=977) -1 36.670403 4.806529 1.951659 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=977) -1 36.570774 5.781721 2.028227 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=977) -1 36.139293 4.650515 1.135012 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=978) -1 -18.787607 4.144936 12.522868 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=978) -1 -18.075490 3.704820 11.993434 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=978) -1 -19.554692 3.956609 11.933377 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=979) -1 -14.227820 1.405209 20.753910 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=979) -1 -13.629106 2.140844 21.000253 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=979) -1 -13.573650 0.733420 20.476048 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=980) -1 -6.753572 -2.665273 -14.345503 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=980) -1 -6.309639 -2.473844 -15.185524 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=980) -1 -6.639162 -1.799183 -13.882274 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=981) -1 -28.093569 -18.029888 -7.288363 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=981) -1 -27.190001 -17.774186 -7.591276 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=981) -1 -28.608639 -17.284919 -7.683732 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=982) -1 23.616582 14.597968 -9.253557 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=982) -1 23.746864 14.754703 -8.293524 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=982) -1 22.658010 14.825116 -9.330729 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=983) -1 35.755103 -0.155174 3.882885 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=983) -1 35.625094 -0.132092 2.899129 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=983) -1 36.048445 0.779498 4.006039 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=984) -1 -19.499050 30.089977 -5.857882 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=984) -1 -18.536394 30.319652 -5.739014 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=984) -1 -19.795757 30.880250 -6.335519 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=985) -1 -1.071881 9.833248 -2.229605 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=985) -1 -0.951819 9.427893 -3.112850 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=985) -1 -0.814603 9.078505 -1.655374 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=986) -1 -26.182091 -3.126145 -12.206738 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=986) -1 -26.724489 -2.934622 -11.416495 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=986) -1 -25.933537 -4.067443 -12.002021 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=987) -1 6.613088 -10.084799 3.919082 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=987) -1 6.256565 -9.190889 3.699995 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=987) -1 7.499702 -9.809752 4.261578 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=988) -1 7.880337 1.015368 -14.985381 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=988) -1 8.379556 0.308233 -14.507993 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=988) -1 7.012619 0.926576 -14.511902 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=989) -1 -5.742255 8.635181 -7.132194 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=989) -1 -5.758603 9.436750 -6.571451 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=989) -1 -4.797992 8.382835 -7.053683 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=990) -1 -5.786735 -13.172743 -13.951813 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=990) -1 -6.755687 -13.195225 -13.715707 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=990) -1 -5.864046 -13.035655 -14.910766 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=991) -1 17.621912 4.732005 -19.717103 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=991) -1 17.431280 5.150967 -18.837389 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=991) -1 18.373227 5.277112 -20.000514 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=992) -1 -10.264320 17.688124 -7.035506 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=992) -1 -11.144171 18.035629 -6.762618 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=992) -1 -10.367441 16.749384 -6.729834 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=993) -1 23.047379 10.707523 6.318038 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=993) -1 23.835030 11.295278 6.378554 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=993) -1 23.514667 9.860188 6.079605 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=994) -1 29.804703 -4.021582 12.300929 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=994) -1 29.588126 -3.459363 13.084093 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=994) -1 30.520904 -3.462558 11.910086 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=995) -1 13.437977 7.675560 12.023076 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=995) -1 13.857460 8.465561 12.440930 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=995) -1 14.164298 7.019722 12.174065 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=996) -1 5.664296 3.405739 -12.723467 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=996) -1 5.688030 2.457007 -12.999776 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=996) -1 6.370270 3.752048 -13.322735 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=997) -1 -16.096909 15.222480 -12.586649 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=997) -1 -15.407217 14.780037 -12.024565 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=997) -1 -16.490181 14.439513 -13.007974 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=998) -1 -12.384389 10.939684 5.480596 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=998) -1 -12.119964 10.258231 6.153441 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=998) -1 -12.226236 10.383841 4.668401 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=999) -1 -23.392665 11.163073 9.851063 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=999) -1 -23.166537 10.455188 10.489912 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=999) -1 -22.943440 10.790664 9.047382 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1000) -1 -2.868222 -6.507756 -8.569113 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1000) -1 -2.070719 -6.975572 -8.232642 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1000) -1 -2.895783 -5.760222 -7.923914 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1002) -1 -19.845564 1.663352 -16.102785 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1002) -1 -20.027069 0.698817 -16.258176 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1002) -1 -19.319864 1.563611 -15.257003 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1003) -1 -20.595903 -5.244147 -14.117501 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1003) -1 -20.003742 -5.317799 -13.334038 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1003) -1 -20.004056 -4.705581 -14.702816 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1004) -1 -8.642632 -15.349837 -9.296645 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1004) -1 -9.350348 -14.711107 -9.032738 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1004) -1 -9.093296 -16.189615 -9.054363 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1005) -1 10.906021 5.832077 8.970078 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1005) -1 10.103944 5.883953 8.411599 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1005) -1 11.183625 4.899972 8.773749 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1006) -1 -24.699680 -1.387552 0.677258 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1006) -1 -25.413954 -0.802644 0.308777 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1006) -1 -24.785376 -2.137122 0.038342 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1007) -1 -21.100811 8.841691 2.723525 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1007) -1 -21.494902 8.151911 3.316532 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1007) -1 -20.328122 9.094896 3.278814 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1008) -1 13.056996 -15.780106 2.070750 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1008) -1 13.574624 -15.104494 1.580046 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1008) -1 12.146646 -15.427260 1.931404 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1009) -1 -0.720194 -7.148590 18.586010 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1009) -1 -1.301309 -6.371063 18.793510 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1009) -1 -1.295421 -7.586788 17.910397 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1010) -1 -18.742331 -7.470070 16.008661 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1010) -1 -18.560468 -7.178159 15.077347 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1010) -1 -18.207239 -8.303021 15.999530 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1011) -1 -25.948348 -20.265667 -9.172079 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1011) -1 -25.772012 -19.333203 -8.901345 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1011) -1 -26.587580 -20.519983 -8.469706 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1012) -1 -27.088591 -2.582513 -9.622755 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1012) -1 -26.168036 -2.918678 -9.491077 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1012) -1 -27.342681 -2.486275 -8.663397 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1013) -1 4.670079 -7.229863 -1.664631 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1013) -1 5.428660 -6.651439 -1.413745 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1013) -1 4.112377 -6.544566 -2.119569 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1014) -1 -20.388481 -0.953658 -16.221342 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1014) -1 -20.915395 -1.238361 -15.435336 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1014) -1 -20.663920 -1.649270 -16.859261 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1015) -1 13.517770 0.924683 -19.031821 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1015) -1 12.697615 0.754549 -18.501110 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1015) -1 14.095232 0.232749 -18.601074 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1016) -1 36.165904 2.482981 3.185971 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1016) -1 36.458642 3.334631 2.768079 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1016) -1 36.019959 1.954451 2.369409 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1017) -1 20.962823 7.830106 -12.495154 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1017) -1 21.052703 6.848989 -12.446727 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1017) -1 20.503105 7.899185 -13.369906 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1018) -1 -2.626320 -16.715900 13.440570 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1018) -1 -2.566203 -17.703963 13.343157 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1018) -1 -3.510572 -16.593457 13.001557 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1019) -1 -22.319558 7.764859 -4.305199 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1019) -1 -21.677867 7.107409 -4.652281 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1019) -1 -23.138688 7.216251 -4.319201 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1020) -1 23.352721 11.857652 1.908251 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1020) -1 22.745113 11.824687 2.690090 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1020) -1 24.207009 11.740980 2.343154 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1021) -1 9.253040 -4.422151 -14.903973 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1021) -1 10.195482 -4.348258 -14.640192 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1021) -1 8.907265 -4.959108 -14.156993 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1022) -1 19.491930 -14.231648 9.788725 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1022) -1 20.423883 -14.496508 9.967725 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1022) -1 19.473280 -14.363135 8.813773 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1023) -1 -5.553269 3.244029 -10.992355 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1023) -1 -4.681640 3.463287 -11.419791 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1023) -1 -5.322107 2.334230 -10.677678 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1024) -1 20.721856 15.818980 13.670367 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1024) -1 21.682764 15.856100 13.494409 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1024) -1 20.376682 16.165450 12.813774 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1025) -1 21.680963 -14.285295 1.456384 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1025) -1 21.558010 -13.881974 0.586812 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1025) -1 20.754052 -14.560320 1.666234 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1026) -1 14.943815 -4.781160 15.709544 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1026) -1 15.761773 -5.141851 15.309096 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1026) -1 14.725623 -4.073535 15.064323 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1027) -1 12.779036 13.444807 14.116905 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1027) -1 13.432254 13.036939 13.493722 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1027) -1 11.958534 13.010918 13.782863 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1028) -1 -15.370738 15.929478 6.477620 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1028) -1 -15.961829 15.259012 6.901764 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1028) -1 -15.019370 15.371203 5.739256 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1029) -1 1.847502 7.620547 3.975415 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1029) -1 2.458913 7.587103 4.741431 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1029) -1 2.015787 6.735481 3.584324 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1030) -1 -17.988260 25.500923 -1.086140 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1030) -1 -18.685058 25.883127 -1.674873 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1030) -1 -18.567650 24.927363 -0.523919 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1031) -1 17.494084 10.636881 13.241079 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1031) -1 18.448806 10.391228 13.285695 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1031) -1 17.530840 11.205306 12.428498 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1032) -1 -17.732019 -14.477809 -16.362112 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1032) -1 -18.441568 -14.963958 -15.880615 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1032) -1 -17.718120 -13.651181 -15.824068 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1033) -1 -28.243081 -20.601842 -0.976297 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1033) -1 -27.603296 -20.274432 -1.652107 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1033) -1 -27.655008 -21.257375 -0.516713 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1034) -1 -22.277438 2.460476 -14.875659 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1034) -1 -22.528028 1.675197 -14.350566 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1034) -1 -21.513088 2.113593 -15.375026 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1035) -1 0.261855 -15.308749 -2.427358 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1035) -1 0.025128 -15.867894 -1.642778 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1035) -1 -0.412693 -15.653825 -3.061244 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1036) -1 -15.758295 27.298343 3.706803 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1036) -1 -14.990840 27.171119 3.105123 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1036) -1 -15.281766 27.284951 4.568756 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1037) -1 5.956591 5.649882 6.466179 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1037) -1 6.882083 5.873058 6.685659 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1037) -1 6.094353 5.058538 5.689987 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1038) -1 -11.708831 26.055106 -11.229761 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1038) -1 -12.049421 26.967766 -11.217469 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1038) -1 -10.760589 26.221164 -11.016892 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1039) -1 12.395136 11.736502 -13.403986 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1039) -1 12.136195 10.787913 -13.308927 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1039) -1 11.495455 12.124087 -13.550140 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1040) -1 12.501350 3.289506 -20.012676 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1040) -1 12.943068 2.424980 -19.831206 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1040) -1 11.766418 3.228465 -19.361468 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1041) -1 -26.372232 0.157145 4.276093 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1041) -1 -25.380631 0.162191 4.260112 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1041) -1 -26.513643 -0.589968 4.897310 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1042) -1 -10.207597 -18.344849 -13.827168 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1042) -1 -9.826981 -19.203158 -13.597111 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1042) -1 -9.437011 -17.752209 -13.638543 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1043) -1 -10.149045 8.639922 15.449672 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1043) -1 -10.088675 7.855089 16.041027 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1043) -1 -10.622667 8.222990 14.684538 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1044) -1 -25.146752 12.213969 8.018541 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1044) -1 -24.993573 11.447608 7.424195 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1044) -1 -24.678528 11.899028 8.823047 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1045) -1 -22.778860 -5.945976 -12.585540 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1045) -1 -22.042702 -5.751852 -13.211228 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1045) -1 -22.371532 -6.692348 -12.088289 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1046) -1 -30.090390 -16.737705 -4.026760 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1046) -1 -30.358135 -15.798285 -4.151598 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1046) -1 -30.660896 -16.963683 -3.252463 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1047) -1 -8.252651 15.514195 3.235690 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1047) -1 -7.519645 14.864826 3.291054 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1047) -1 -8.606509 15.298236 2.345972 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1048) -1 -10.165805 -10.798178 -13.872930 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1048) -1 -10.791081 -10.537747 -13.160725 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1048) -1 -9.396299 -10.219738 -13.613402 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1049) -1 -1.427309 12.209322 7.201979 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1049) -1 -1.942823 11.693695 7.854090 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1049) -1 -0.531503 11.833225 7.343980 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1050) -1 13.620454 18.291672 -5.550163 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1050) -1 13.704811 18.558084 -4.606084 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1050) -1 14.082567 17.421712 -5.510344 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1051) -1 -23.224725 3.896712 2.870928 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1051) -1 -23.742594 3.483358 3.595114 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1051) -1 -23.694067 4.760252 2.802698 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1052) -1 -27.064833 -17.541691 -15.012972 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1052) -1 -27.301177 -16.595725 -14.912064 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1052) -1 -26.108486 -17.453244 -15.230064 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1053) -1 -7.686776 27.393653 -1.750590 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1053) -1 -8.018760 26.515207 -2.041422 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1053) -1 -7.502929 27.199405 -0.807313 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1054) -1 18.795895 -0.127965 -18.543508 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1054) -1 19.746186 -0.106750 -18.282902 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1054) -1 18.786815 0.622200 -19.182203 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1055) -1 -24.440276 16.240793 0.992559 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1055) -1 -24.463978 15.418283 1.539253 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1055) -1 -23.464061 16.373653 0.953810 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1056) -1 11.867999 -3.721268 -14.314139 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1056) -1 11.752674 -2.954023 -14.917858 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1056) -1 12.754855 -4.037998 -14.627796 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1057) -1 23.566982 14.522825 10.812533 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1057) -1 22.609812 14.476894 10.541723 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1057) -1 23.475892 15.181769 11.542890 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1058) -1 29.448601 9.549996 -10.583725 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1058) -1 30.126796 9.269810 -11.232981 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1058) -1 28.750063 8.887602 -10.781154 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1059) -1 -5.210419 2.728588 21.180750 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1059) -1 -5.451546 3.563607 20.705479 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1059) -1 -4.245104 2.767842 21.113260 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1060) -1 -18.885451 10.014228 14.663568 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1060) -1 -19.131443 10.134735 15.593852 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1060) -1 -18.554983 9.080230 14.691648 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1061) -1 -24.932840 4.803044 -9.472797 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1061) -1 -25.385194 5.014960 -8.630524 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1061) -1 -25.060528 3.817042 -9.474436 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1062) -1 9.145964 -14.221781 8.122002 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1062) -1 9.586843 -13.509033 7.604019 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1062) -1 9.953081 -14.757967 8.347528 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1063) -1 21.298367 -0.377555 -17.528753 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1063) -1 20.973350 -1.265354 -17.239590 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1063) -1 21.670889 -0.062940 -16.674606 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1064) -1 35.955193 -1.832433 -0.082886 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1064) -1 36.636364 -2.548276 -0.008444 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1064) -1 35.405997 -2.227562 -0.806263 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1065) -1 -17.832053 -18.267030 -15.268664 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1065) -1 -17.094846 -18.826387 -14.930892 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1065) -1 -17.330268 -17.713333 -15.911060 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1066) -1 -7.822538 18.830154 -1.681906 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1066) -1 -7.715241 17.921664 -1.301738 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1066) -1 -7.844684 19.349377 -0.846276 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1067) -1 16.512922 22.741728 3.690517 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1067) -1 16.721580 23.086406 2.810760 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1067) -1 16.753908 21.790923 3.575491 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1068) -1 2.288447 -10.551451 -1.944062 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1068) -1 3.196232 -10.445427 -1.583744 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1068) -1 2.148057 -11.510820 -1.766095 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1069) -1 -19.362998 4.262878 -15.181727 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1069) -1 -19.630438 3.542304 -15.798330 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1069) -1 -19.487011 3.778802 -14.326146 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1070) -1 9.352695 -5.584958 -10.123236 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1070) -1 10.296083 -5.530680 -9.853949 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1070) -1 9.176862 -6.532080 -9.918009 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1071) -1 -8.571282 23.904504 1.203852 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1071) -1 -8.429869 23.481172 0.329742 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1071) -1 -8.212405 23.188735 1.787329 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1072) -1 -13.468818 -7.803398 -14.861635 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1072) -1 -13.863617 -8.514701 -14.303933 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1072) -1 -12.812377 -8.357929 -15.359126 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1073) -1 -15.168601 12.668707 2.608269 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1073) -1 -14.719336 11.959318 2.075197 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1073) -1 -15.498728 13.222870 1.867892 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1074) -1 -11.518305 -19.219410 3.733253 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1074) -1 -11.865778 -20.069214 4.095325 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1074) -1 -11.107655 -18.863919 4.562099 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1075) -1 -19.112411 -3.571142 -15.663508 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1075) -1 -19.646581 -3.542515 -16.487261 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1075) -1 -18.974696 -2.619534 -15.510675 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1077) -1 28.846648 5.473939 13.595334 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1077) -1 28.651789 4.602688 13.185821 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1077) -1 29.594434 5.202203 14.186813 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1078) -1 -11.053597 -20.397104 9.432449 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1078) -1 -10.605610 -19.790900 10.075794 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1078) -1 -11.617098 -19.736744 8.967125 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1079) -1 24.452459 11.655599 -3.537017 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1079) -1 24.827909 12.326257 -4.162636 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1079) -1 23.559782 12.052858 -3.405964 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1080) -1 -22.981297 5.744636 -7.077006 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1080) -1 -23.211897 4.781002 -7.138648 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1080) -1 -23.548649 5.978571 -6.302937 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1081) -1 -7.954168 20.055329 -13.782917 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1081) -1 -7.573559 20.251246 -14.646314 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1081) -1 -8.425377 20.892629 -13.580064 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1082) -1 -27.676983 -18.702072 -10.797751 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1082) -1 -28.029185 -18.962704 -11.677364 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1082) -1 -27.145572 -19.481259 -10.568349 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1083) -1 -5.984188 23.553830 -7.685036 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1083) -1 -6.184037 23.170258 -6.809180 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1083) -1 -5.947051 22.748581 -8.238803 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1084) -1 14.860136 -0.926801 -17.628329 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1084) -1 14.782791 -1.260212 -16.708640 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1084) -1 15.672292 -1.430601 -17.901234 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1085) -1 -4.370452 -5.210057 21.267017 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1085) -1 -5.190780 -4.778179 21.600936 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1085) -1 -3.816780 -4.408938 21.124744 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1086) -1 6.444533 -9.488415 1.109102 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1086) -1 6.275802 -8.730884 1.722973 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1086) -1 6.699751 -10.168756 1.765327 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1087) -1 0.306321 9.344867 2.658386 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1087) -1 0.902885 8.674346 3.092187 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1087) -1 0.409412 10.065821 3.340358 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1089) -1 -17.286310 -22.192076 -0.552892 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1089) -1 -16.861007 -21.338803 -0.747300 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1089) -1 -16.535563 -22.656417 -0.105104 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1090) -1 -20.419472 8.709473 6.187069 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1090) -1 -20.951428 8.118766 5.590002 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1090) -1 -20.137409 8.039582 6.850354 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1091) -1 -26.607392 -19.611401 -2.938745 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1091) -1 -27.057089 -18.726916 -2.997002 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1091) -1 -25.768135 -19.311724 -2.506048 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1092) -1 -24.019328 -0.818602 -10.917267 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1092) -1 -24.056445 -1.697825 -10.484041 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1092) -1 -24.907141 -0.477393 -10.698151 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1093) -1 -15.068065 13.790193 -8.722133 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1093) -1 -15.986029 13.414132 -8.820028 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1093) -1 -14.843739 13.866083 -9.680115 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1094) -1 -12.993159 19.548939 -13.763875 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1094) -1 -12.112634 19.104517 -13.857898 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1094) -1 -13.544329 18.738742 -13.608370 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1095) -1 -27.496893 2.600554 -5.958477 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1095) -1 -28.297088 2.256495 -5.506304 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1095) -1 -27.399495 1.901466 -6.653471 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1096) -1 -22.845715 2.452281 10.963690 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1096) -1 -23.377181 2.448997 10.120898 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1096) -1 -23.455228 1.975879 11.544773 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1097) -1 27.428285 11.964486 -6.618996 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1097) -1 27.477092 11.524486 -7.503224 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1097) -1 27.445059 11.144985 -6.053726 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1098) -1 25.156337 -6.536962 -18.383800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1098) -1 24.539298 -7.030171 -17.805986 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1098) -1 25.074346 -5.638425 -18.012869 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1099) -1 -23.150656 -25.228361 -6.594049 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1099) -1 -22.271667 -25.145758 -7.034486 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1099) -1 -23.086455 -24.469271 -5.970618 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1100) -1 -16.953960 30.818086 -5.703462 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1100) -1 -16.202942 31.190861 -5.185895 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1100) -1 -16.454383 30.489286 -6.488927 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1101) -1 -13.664635 -17.641691 19.140786 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1101) -1 -13.107762 -18.228917 19.664817 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1101) -1 -13.433778 -17.926703 18.225796 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1102) -1 -2.240735 -8.568839 20.424680 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1102) -1 -1.850105 -9.446535 20.330420 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1102) -1 -1.618082 -8.022978 19.899773 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1103) -1 25.544983 7.941391 -5.565857 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1103) -1 24.874677 8.243963 -4.918536 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1103) -1 25.250149 7.024770 -5.721701 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1104) -1 -10.019104 -16.709903 14.860867 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1104) -1 -10.453848 -17.128313 14.067572 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1104) -1 -9.160030 -17.192528 14.833717 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1105) -1 -29.096263 0.415641 -5.211202 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1105) -1 -28.669268 0.385251 -6.098581 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1105) -1 -29.569833 -0.458283 -5.250244 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1106) -1 -22.723665 12.011139 -6.383930 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1106) -1 -23.617644 12.345103 -6.234359 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1106) -1 -22.184168 12.809014 -6.189035 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1107) -1 35.119061 -0.688464 8.717796 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1107) -1 34.814790 0.014569 8.097832 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1107) -1 35.171918 -1.444883 8.087115 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1108) -1 27.282393 4.769963 -13.726362 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1108) -1 27.234256 4.047085 -14.374147 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1108) -1 26.431254 4.586068 -13.226271 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1109) -1 8.526169 -14.518697 -4.926911 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1109) -1 8.680714 -15.200957 -5.624334 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1109) -1 7.557463 -14.501493 -4.905430 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1110) -1 -20.872345 14.604522 -0.261853 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1110) -1 -20.591983 14.567313 -1.211922 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1110) -1 -19.971668 14.618494 0.146770 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1111) -1 -10.726378 19.332461 4.090876 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1111) -1 -10.669486 18.532302 3.538052 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1111) -1 -11.619293 19.655710 3.862805 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1112) -1 23.016912 -16.890565 7.679850 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1112) -1 22.673768 -16.586970 6.814505 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1112) -1 23.949549 -17.032649 7.477903 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1113) -1 -13.559922 26.996470 5.437730 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1113) -1 -13.365355 26.065044 5.714992 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1113) -1 -13.199070 27.478858 6.197643 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1114) -1 -17.411187 -22.213955 5.637453 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1114) -1 -17.816152 -21.697688 4.901637 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1114) -1 -18.081984 -22.889563 5.783833 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1115) -1 17.157230 -15.464884 7.550696 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1115) -1 18.099113 -15.352408 7.295101 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1115) -1 16.901033 -16.191893 6.933799 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1116) -1 16.066988 17.794161 -7.199673 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1116) -1 15.347203 18.409971 -6.970177 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1116) -1 15.749904 16.980278 -6.748785 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1117) -1 -7.132597 10.046496 12.650633 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1117) -1 -7.133304 9.643169 13.544872 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1117) -1 -7.020036 9.248028 12.095903 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1118) -1 10.537534 1.140070 12.134635 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1118) -1 9.613596 1.413777 12.332595 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1118) -1 10.350141 0.318611 11.613064 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1119) -1 -30.921204 -14.115648 -4.017780 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1119) -1 -31.434238 -13.298815 -4.131962 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1119) -1 -30.440419 -14.122781 -4.896152 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1120) -1 15.883285 -17.934710 0.475553 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1120) -1 16.645199 -17.353273 0.716700 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1120) -1 16.230712 -18.280557 -0.386795 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1121) -1 30.806901 6.003430 9.308679 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1121) -1 30.287161 6.440957 10.030145 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1121) -1 30.071851 5.766054 8.702416 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1122) -1 -11.620894 1.151511 -15.034915 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1122) -1 -11.599636 0.175509 -14.948195 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1122) -1 -12.470005 1.331618 -14.551837 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1123) -1 7.815756 -7.655429 -0.449265 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1123) -1 8.131209 -8.025021 -1.305871 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1123) -1 7.480642 -8.467394 -0.021793 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1124) -1 33.618583 1.796162 -0.284181 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1124) -1 33.008740 1.290786 0.309185 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1124) -1 32.956294 2.113550 -0.945399 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1125) -1 -16.708885 27.722061 -0.126187 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1125) -1 -17.013894 26.821452 -0.386081 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1125) -1 -17.468567 27.984312 0.447692 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1126) -1 -7.958539 3.698963 13.634774 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1126) -1 -7.435147 2.905842 13.362264 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1126) -1 -7.400259 3.977343 14.407712 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1127) -1 6.322083 -2.148709 -8.947744 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1127) -1 6.147039 -2.968439 -8.401568 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1127) -1 5.722224 -1.534435 -8.459435 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1128) -1 33.866992 1.900186 11.537935 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1128) -1 33.470836 1.960406 10.647017 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1128) -1 34.474547 1.139423 11.412590 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1129) -1 28.990253 -2.065981 16.810286 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1129) -1 29.115821 -2.166539 15.828141 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1129) -1 28.064925 -1.743926 16.801830 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1130) -1 -6.981158 12.546238 -3.378647 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1130) -1 -7.017547 13.485579 -3.133326 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1130) -1 -6.170917 12.274481 -2.868846 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1131) -1 1.624945 -14.434294 -4.724994 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1131) -1 1.233025 -14.786852 -3.894017 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1131) -1 2.524819 -14.200638 -4.386126 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1132) -1 20.570578 9.476432 -10.458885 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1132) -1 20.668467 8.823625 -11.201099 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1132) -1 21.112826 9.013761 -9.780739 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1133) -1 -20.150572 6.523281 10.406838 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1133) -1 -19.993295 6.582526 9.427764 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1133) -1 -20.429602 5.582375 10.458834 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1134) -1 -28.169612 -5.111600 -8.742350 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1134) -1 -27.662631 -4.714564 -7.990192 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1134) -1 -28.119647 -4.384258 -9.383942 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1136) -1 -9.732575 14.756504 5.322372 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1136) -1 -9.209084 15.182573 4.597416 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1136) -1 -10.513135 15.352298 5.328610 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1137) -1 -4.262019 -9.847946 -10.529838 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1137) -1 -4.203815 -8.901424 -10.773600 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1137) -1 -4.588658 -9.734208 -9.588792 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1138) -1 -28.572628 -26.912804 -5.107714 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1138) -1 -28.089958 -27.629236 -5.567666 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1138) -1 -28.004536 -26.822015 -4.306528 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1139) -1 24.142440 12.368187 -10.780238 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1139) -1 23.172118 12.230618 -10.595421 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1139) -1 24.238497 13.240654 -10.316841 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1140) -1 -16.001843 18.478899 6.026550 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1140) -1 -15.872315 17.532502 6.292032 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1140) -1 -15.213141 18.579035 5.449186 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1141) -1 -11.801975 11.475607 -7.729296 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1141) -1 -11.913972 11.030812 -8.603317 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1141) -1 -11.662419 10.673470 -7.166919 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1142) -1 2.061559 -9.884234 3.661622 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1142) -1 1.580600 -9.660305 4.478151 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1142) -1 2.054702 -10.862344 3.697291 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1143) -1 -7.808735 13.591511 15.908805 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1143) -1 -7.299608 12.877163 16.383123 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1143) -1 -7.830290 13.165668 15.015130 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1144) -1 27.034496 -12.535028 -12.920092 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1144) -1 27.085865 -11.737607 -13.501034 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1144) -1 26.393489 -13.071064 -13.434818 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1145) -1 -14.498533 -25.487252 -0.452384 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1145) -1 -14.833200 -24.694476 0.028401 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1145) -1 -14.610996 -25.160633 -1.382423 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1146) -1 14.352310 -4.345452 -15.037685 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1146) -1 15.106470 -4.915542 -15.313525 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1146) -1 14.761871 -3.461359 -15.143995 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1147) -1 -15.168964 21.139891 -13.944453 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1147) -1 -15.712950 20.473018 -13.450756 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1147) -1 -14.360752 20.582521 -14.085070 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1148) -1 -6.276141 -19.756307 9.284272 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1148) -1 -6.765296 -19.447885 10.087825 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1148) -1 -6.075086 -18.862728 8.890254 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1149) -1 15.261389 20.140448 1.067352 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1149) -1 15.105831 20.490013 0.149840 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1149) -1 15.763277 19.313894 0.802560 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1150) -1 19.024198 -8.538305 14.943400 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1150) -1 19.326118 -7.686596 14.530698 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1150) -1 18.793450 -9.039801 14.148366 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1151) -1 21.502259 5.182510 -12.132358 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1151) -1 21.283649 5.229025 -11.173214 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1151) -1 21.540308 4.223582 -12.266061 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1152) -1 10.608668 10.210409 14.892675 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1152) -1 11.549695 10.265994 15.178507 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1152) -1 10.409093 9.288609 15.116131 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1153) -1 -6.666990 -12.138149 18.678881 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1153) -1 -7.046263 -12.560571 17.859159 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1153) -1 -6.605513 -12.962802 19.229594 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1154) -1 -5.649673 -16.559763 -11.852214 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1154) -1 -5.211812 -16.870333 -11.017891 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1154) -1 -4.924969 -16.767256 -12.485421 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1155) -1 1.838006 -16.190049 5.868356 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1155) -1 2.550433 -15.555127 5.595402 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1155) -1 2.269803 -17.030475 5.640233 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1156) -1 34.906326 4.190137 -0.007923 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1156) -1 34.042178 4.634162 0.147481 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1156) -1 34.589494 3.274610 -0.181055 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1157) -1 10.602783 -14.669008 1.713973 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1157) -1 10.406702 -13.845888 1.221381 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1157) -1 10.330191 -14.390812 2.621806 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1158) -1 -4.676884 11.888742 -2.195168 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1158) -1 -4.039053 11.705277 -1.475128 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1158) -1 -4.389182 11.212420 -2.852517 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1159) -1 -2.912091 -19.360481 12.980292 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1159) -1 -3.010054 -19.672770 12.048688 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1159) -1 -3.854271 -19.416843 13.262071 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1160) -1 -17.491898 -9.569887 12.542991 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1160) -1 -18.445337 -9.503987 12.261553 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1160) -1 -17.148605 -10.099953 11.792369 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1161) -1 -14.124290 13.986528 -11.266322 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1161) -1 -13.257473 14.397442 -11.052639 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1161) -1 -13.808158 13.093306 -11.558339 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1162) -1 -27.754121 -20.678577 -7.144797 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1162) -1 -27.885031 -19.695902 -7.180227 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1162) -1 -28.700454 -20.956340 -7.144325 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1163) -1 29.493909 13.048750 0.729287 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1163) -1 30.185033 12.376422 0.538897 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1163) -1 30.020684 13.855331 0.775507 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1164) -1 8.177621 -3.990118 7.635747 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1164) -1 7.725528 -3.853897 6.761389 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1164) -1 9.102032 -3.780856 7.351764 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1165) -1 -18.417402 -20.899198 3.517356 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1165) -1 -18.940776 -20.058904 3.499921 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1165) -1 -18.792083 -21.311871 2.692218 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1166) -1 10.016777 14.566911 -11.281062 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1166) -1 10.045832 15.171426 -10.502509 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1166) -1 10.981525 14.340218 -11.332467 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1167) -1 -22.936271 -6.990931 10.004317 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1167) -1 -22.267038 -6.364398 9.623062 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1167) -1 -22.998877 -6.618317 10.903393 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1168) -1 25.526811 13.469581 -5.251634 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1168) -1 26.143387 13.064822 -5.900361 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1168) -1 25.082059 14.132384 -5.823029 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1169) -1 20.828936 -15.682854 -2.912916 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1169) -1 20.677699 -15.934551 -1.974311 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1169) -1 21.255638 -14.800794 -2.774709 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1170) -1 -18.440661 23.553874 2.639631 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1170) -1 -18.112165 22.660736 2.385963 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1170) -1 -18.950775 23.329763 3.445922 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1171) -1 21.536655 4.204924 14.114259 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1171) -1 20.868238 4.639045 13.541042 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1171) -1 22.340876 4.675816 13.840927 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1172) -1 0.405221 11.234224 4.515085 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1172) -1 0.685662 11.309817 5.447623 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1172) -1 -0.094529 12.057529 4.392550 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1173) -1 17.115980 7.452499 -15.078846 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1173) -1 18.052797 7.670838 -14.889332 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1173) -1 16.668036 8.169135 -14.579375 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1174) -1 31.498768 -2.129288 11.360667 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1174) -1 32.017179 -1.606312 12.014172 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1174) -1 31.562238 -1.547691 10.582554 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1175) -1 11.277466 3.268197 -17.554983 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1175) -1 11.389589 2.302469 -17.406032 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1175) -1 12.118953 3.601420 -17.169437 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1176) -1 18.522161 -16.180854 -12.615172 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1176) -1 18.555676 -16.182263 -13.603597 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1176) -1 17.556852 -16.259283 -12.475841 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1177) -1 -8.002526 -13.233407 16.660032 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1177) -1 -8.004830 -14.210418 16.755721 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1177) -1 -8.938001 -13.031896 16.864839 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1178) -1 34.372961 -6.932792 4.251315 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1178) -1 34.272897 -5.997703 3.962653 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1178) -1 34.172052 -6.848558 5.197676 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1179) -1 -29.065767 -4.316307 -4.324124 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1179) -1 -28.401161 -4.283814 -3.591048 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1179) -1 -28.792556 -5.158116 -4.745814 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1180) -1 16.591080 -17.816702 -9.196893 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1180) -1 17.573364 -17.688394 -9.159688 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1180) -1 16.385759 -17.745511 -8.239450 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1181) -1 -8.050706 -15.917337 17.233814 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1181) -1 -8.961311 -16.251406 17.361489 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1181) -1 -7.750195 -16.495773 16.499964 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1182) -1 0.865205 -0.651544 13.930862 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1182) -1 0.003443 -1.119573 13.840121 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1182) -1 1.037918 -0.454792 12.980486 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1183) -1 -14.530786 9.548305 -13.022988 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1183) -1 -15.325043 9.240011 -13.481263 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1183) -1 -14.157846 8.686052 -12.712197 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1184) -1 -16.571110 17.597044 10.511472 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1184) -1 -17.315348 17.300106 9.927621 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1184) -1 -16.935517 17.307999 11.379977 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1185) -1 -9.135394 -20.909152 -6.888754 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1185) -1 -9.849210 -21.514777 -7.196850 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1185) -1 -8.448692 -21.583361 -6.656329 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1186) -1 -4.117568 10.021729 -4.066701 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1186) -1 -3.991708 9.093322 -3.742397 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1186) -1 -3.311129 10.068796 -4.651180 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1187) -1 -7.412057 -22.689272 -5.852821 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1187) -1 -6.880368 -23.485523 -5.739452 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1187) -1 -7.431394 -22.340703 -4.930595 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1188) -1 -29.867218 20.081771 -2.148381 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1188) -1 -30.630854 19.562040 -2.440824 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1188) -1 -29.442148 19.424582 -1.531171 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1189) -1 -2.172118 -4.109404 -11.549886 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1189) -1 -2.417076 -4.691978 -12.311835 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1189) -1 -1.466305 -4.639250 -11.146508 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1190) -1 1.361430 -3.296642 -6.327221 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1190) -1 1.693256 -2.552407 -6.867078 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1190) -1 1.877225 -3.161379 -5.500975 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1191) -1 -3.461965 10.583705 8.320694 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1191) -1 -3.950691 9.964834 8.909657 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1191) -1 -4.200270 11.195819 8.083171 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1192) -1 25.156085 -8.704110 12.439141 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1192) -1 24.458923 -8.648536 13.139240 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1192) -1 25.485725 -7.776858 12.469155 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1193) -1 -22.709428 5.053410 -14.286464 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1193) -1 -22.611127 4.123031 -14.611911 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1193) -1 -23.155320 4.874054 -13.430043 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1194) -1 14.846358 -20.429357 -1.079587 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1194) -1 14.875948 -20.122079 -0.164024 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1194) -1 15.610073 -19.954311 -1.468910 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1195) -1 -24.507805 2.813481 5.000843 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1195) -1 -23.842107 3.022705 5.698694 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1195) -1 -24.227592 1.881308 4.799550 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1196) -1 -2.990072 3.300783 -11.883637 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1196) -1 -2.175347 3.731117 -12.183296 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1196) -1 -2.660966 2.393415 -11.697769 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1197) -1 22.520556 -4.211348 -12.514104 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1197) -1 22.793377 -4.208108 -11.561991 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1197) -1 22.204780 -3.286137 -12.588491 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1198) -1 24.226852 -9.984741 3.368778 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1198) -1 24.074697 -10.484292 2.551643 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1198) -1 24.539050 -10.713859 3.962049 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1199) -1 29.839567 -7.301684 -0.394570 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1199) -1 29.458539 -8.168714 -0.680114 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1199) -1 30.792997 -7.489955 -0.588160 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1200) -1 -14.014945 17.036090 15.747214 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1200) -1 -13.112693 17.411888 15.716169 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1200) -1 -13.804231 16.147776 16.129062 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1201) -1 -23.309525 18.147604 5.983810 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1201) -1 -23.362136 17.563232 6.786858 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1201) -1 -23.830368 17.564063 5.368227 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1202) -1 22.218230 -14.907354 9.524203 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1202) -1 22.250425 -14.479070 8.623587 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1202) -1 22.485680 -15.815907 9.252494 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1203) -1 21.556746 12.008045 -10.228082 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1203) -1 21.110555 11.136688 -10.316899 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1203) -1 20.817656 12.607780 -10.456601 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1204) -1 29.213968 2.237460 -6.001689 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1204) -1 29.428425 1.506666 -6.629617 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1204) -1 28.541016 2.716148 -6.535955 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1205) -1 22.354032 17.437365 -7.535157 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1205) -1 22.081032 18.359686 -7.298462 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1205) -1 21.472589 16.996603 -7.424134 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1206) -1 -15.906439 -0.795815 17.424515 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1206) -1 -16.293003 -0.430815 16.587069 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1206) -1 -16.547747 -1.548232 17.547358 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1207) -1 27.008369 -0.744517 -8.388675 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1207) -1 26.518679 -1.347508 -9.011393 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1207) -1 26.907304 0.093127 -8.931196 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1208) -1 -6.914469 -19.232930 0.420630 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1208) -1 -6.207450 -18.819276 0.964644 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1208) -1 -7.297822 -19.851425 1.081696 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1209) -1 -1.148331 -15.250625 15.125565 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1209) -1 -1.688752 -15.780533 14.480547 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1209) -1 -1.085110 -15.890934 15.851526 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1210) -1 -19.282358 -4.940739 16.964064 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1210) -1 -20.202285 -5.120742 16.689093 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1210) -1 -18.881587 -5.824127 16.791959 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1211) -1 -11.721827 9.097810 3.694353 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1211) -1 -12.349276 8.795104 2.989841 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1211) -1 -10.926084 9.252569 3.143730 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1212) -1 24.970363 -11.284645 -3.465011 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1212) -1 24.762117 -12.109111 -3.977356 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1212) -1 24.041061 -10.997805 -3.280809 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1213) -1 21.957057 -0.152936 -14.864119 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1213) -1 22.178517 0.465778 -14.140668 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1213) -1 21.217259 -0.649600 -14.466531 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1214) -1 -7.561925 21.876723 2.710383 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1214) -1 -6.648841 21.677746 2.982939 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1214) -1 -8.041571 21.557178 3.526662 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1215) -1 27.776822 4.735591 -0.417409 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1215) -1 27.481477 4.918458 0.504008 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1215) -1 28.716380 4.487400 -0.233782 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1216) -1 6.326549 -3.473679 2.611200 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1216) -1 6.479943 -4.298676 2.091704 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1216) -1 5.489938 -3.171654 2.170155 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1217) -1 8.634466 -8.650108 -2.840520 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1217) -1 8.394927 -8.033256 -3.561935 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1217) -1 9.252300 -9.243566 -3.290731 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1218) -1 -4.361610 0.925504 -10.035228 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1218) -1 -3.477532 0.873993 -10.483247 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1218) -1 -4.061790 1.278226 -9.161879 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1219) -1 25.167176 -1.822968 -10.025535 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1219) -1 24.550670 -1.067918 -9.932403 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1219) -1 24.547520 -2.565508 -10.145813 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1220) -1 13.452928 -4.853943 17.957758 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1220) -1 12.845084 -4.214002 17.570666 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1220) -1 14.101130 -4.959957 17.220001 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1221) -1 -20.439570 -7.586942 7.616328 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1221) -1 -20.589749 -6.759764 8.133007 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1221) -1 -19.760828 -7.277454 6.986188 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1222) -1 -24.256465 -3.221620 6.271869 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1222) -1 -23.767759 -2.661718 5.607926 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1222) -1 -23.539466 -3.858369 6.485019 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1223) -1 27.616675 7.459273 -13.742169 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1223) -1 27.520414 6.488844 -13.908708 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1223) -1 26.838090 7.773522 -14.273093 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1224) -1 -15.564657 6.901822 13.405041 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1224) -1 -16.309039 6.952246 12.763160 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1224) -1 -15.481440 5.922356 13.475135 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1225) -1 15.570806 17.582085 6.713786 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1225) -1 15.485435 17.480418 5.731391 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1225) -1 15.693365 16.644988 6.964193 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1226) -1 -27.572665 0.256307 -2.944031 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1226) -1 -28.224975 0.347680 -3.678028 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1226) -1 -27.494173 -0.711081 -2.898431 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1227) -1 13.319383 -13.430895 7.925696 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1227) -1 14.313791 -13.470741 7.903103 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1227) -1 13.236212 -12.650038 8.533720 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1228) -1 -9.651983 -14.678487 20.717301 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1228) -1 -10.078108 -14.346002 21.516022 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1228) -1 -10.377071 -14.581362 20.059529 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1229) -1 -22.797209 -18.413016 3.464224 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1229) -1 -23.002644 -19.192371 4.003323 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1229) -1 -22.526027 -17.776389 4.170393 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1230) -1 13.327027 4.222013 14.024442 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1230) -1 12.908396 3.336035 14.107165 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1230) -1 12.553822 4.756396 13.752820 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1231) -1 -20.698173 26.155203 -8.558737 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1231) -1 -20.067351 25.419139 -8.734253 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1231) -1 -21.536458 25.706895 -8.811165 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1232) -1 24.891307 -12.772640 -7.111287 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1232) -1 25.718667 -13.281123 -7.279742 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1232) -1 24.732436 -12.422044 -8.013594 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1233) -1 -24.573539 -8.108872 0.747436 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1233) -1 -24.694987 -7.132559 0.748855 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1233) -1 -23.630898 -8.148715 1.032243 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1234) -1 -11.581981 -10.052274 16.417502 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1234) -1 -11.876146 -9.464897 15.704399 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1234) -1 -11.244236 -9.389690 17.068560 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1235) -1 -14.405801 17.285620 -13.245174 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1235) -1 -15.062826 16.558250 -13.107024 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1235) -1 -13.579428 16.738494 -13.227565 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1236) -1 -22.567327 24.348136 -9.584414 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1236) -1 -23.373164 24.421007 -10.117478 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1236) -1 -21.991252 23.835875 -10.209045 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1237) -1 -16.678838 4.110479 -15.984275 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1237) -1 -16.077764 4.268827 -15.233538 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1237) -1 -17.540054 4.356970 -15.600369 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1238) -1 -13.059374 14.584980 16.448121 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1238) -1 -13.698493 13.904302 16.149895 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1238) -1 -12.237415 14.040591 16.484590 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1239) -1 8.282205 -1.476506 8.790333 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1239) -1 8.057685 -2.374112 8.458646 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1239) -1 8.135256 -0.955389 7.966981 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1240) -1 22.865545 1.292999 -12.593593 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1240) -1 23.477965 0.520468 -12.690886 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1240) -1 23.507592 1.922430 -12.168302 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1241) -1 5.791511 11.141149 -5.625294 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1241) -1 6.424466 11.494872 -4.947899 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1241) -1 6.350011 11.307052 -6.432469 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1242) -1 -23.308780 -20.499439 0.074853 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1242) -1 -23.697858 -21.335701 0.431341 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1242) -1 -22.442834 -20.862817 -0.238338 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1243) -1 -12.825581 29.715416 -12.843309 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1243) -1 -13.300112 30.547653 -12.621829 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1243) -1 -12.789325 29.305396 -11.946282 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1244) -1 -12.624116 -17.441931 -13.084113 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1244) -1 -11.756054 -17.757194 -13.446774 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1244) -1 -13.127092 -17.378834 -13.934257 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1245) -1 -14.305567 -17.579872 -15.173205 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1245) -1 -14.861725 -18.315604 -14.842621 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1245) -1 -14.935324 -17.150217 -15.791479 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1246) -1 -15.452529 19.781800 2.429822 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1246) -1 -14.712452 19.927817 3.050632 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1246) -1 -15.437742 18.798321 2.371636 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1247) -1 25.076965 -11.200211 13.607066 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1247) -1 24.341182 -10.874137 14.151982 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1247) -1 25.375264 -10.367232 13.186853 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1248) -1 -22.858934 6.829039 -9.513995 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1248) -1 -22.872928 6.472769 -8.586945 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1248) -1 -23.622465 6.329220 -9.875246 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1249) -1 3.109505 -13.489849 12.543156 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1249) -1 2.340117 -13.451331 13.154398 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1249) -1 2.845074 -14.262760 11.994419 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1250) -1 10.372276 -16.586470 5.110550 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1250) -1 10.511773 -17.170591 4.319166 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1250) -1 11.113918 -16.913740 5.670375 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1251) -1 -6.769370 13.161387 3.499092 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1251) -1 -7.432936 12.698832 2.938193 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1251) -1 -6.057212 12.492702 3.514745 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1252) -1 -10.479319 -18.586756 6.156427 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1252) -1 -11.152203 -18.482380 6.865557 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1252) -1 -9.774318 -19.048756 6.651938 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1253) -1 37.418437 -4.045694 0.444747 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1253) -1 37.717287 -4.195047 1.369558 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1253) -1 36.796397 -4.804018 0.348483 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1254) -1 -11.227955 -20.890451 12.351800 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1254) -1 -11.352357 -21.294176 11.474544 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1254) -1 -10.736365 -20.071659 12.088116 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1255) -1 23.536440 8.850008 -12.259907 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1255) -1 22.560495 8.690905 -12.248051 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1255) -1 23.818705 7.961392 -12.596781 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1256) -1 15.175094 17.446701 4.119114 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1256) -1 15.975768 17.538603 3.533085 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1256) -1 14.613512 18.149749 3.706108 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1257) -1 -30.868793 -14.974108 -10.658586 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1257) -1 -30.625963 -15.420714 -11.493444 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1257) -1 -30.289242 -14.189029 -10.697358 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1258) -1 10.955965 -17.905901 -5.579973 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1258) -1 11.269743 -18.280927 -6.441454 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1258) -1 10.197886 -17.374854 -5.913089 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1259) -1 13.504683 4.476295 -16.537617 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1259) -1 14.426438 4.145777 -16.439082 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1259) -1 13.457839 5.051494 -15.730384 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1260) -1 27.366182 9.589123 7.124479 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1260) -1 28.060625 8.933831 6.886801 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1260) -1 26.845915 9.575748 6.281456 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1261) -1 -10.072818 1.602611 20.277097 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1261) -1 -9.750287 2.014404 19.445909 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1261) -1 -10.744489 0.981815 19.896103 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1262) -1 -19.745309 24.135184 0.398318 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1262) -1 -20.105413 23.212951 0.371047 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1262) -1 -19.251912 24.059026 1.260793 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1263) -1 -6.818170 -15.323905 0.462553 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1263) -1 -7.618179 -15.253471 -0.092573 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1263) -1 -7.217324 -15.481585 1.344089 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1264) -1 -17.847460 16.640879 12.761029 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1264) -1 -18.750573 16.927793 12.958606 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1264) -1 -18.004499 15.675209 12.591390 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1265) -1 2.578764 -12.617906 3.609865 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1265) -1 3.546047 -12.390370 3.594692 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1265) -1 2.626227 -13.418047 4.177458 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1266) -1 -12.896646 -18.080738 16.601126 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1266) -1 -13.445994 -17.444365 16.087534 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1266) -1 -12.621453 -18.672820 15.846898 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1267) -1 -18.785370 9.416731 4.077717 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1267) -1 -18.024372 10.003233 4.295685 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1267) -1 -19.155465 9.274981 4.975335 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1268) -1 -7.539213 -20.871320 4.796310 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1268) -1 -7.856785 -21.788796 4.972259 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1268) -1 -7.659412 -20.484844 5.691452 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1269) -1 10.012627 -14.286871 -2.668406 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1269) -1 10.513620 -15.135662 -2.739019 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1269) -1 9.468900 -14.361352 -3.488659 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1270) -1 -10.346666 11.238712 14.806103 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1270) -1 -10.289767 10.301027 15.122117 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1270) -1 -11.328454 11.272108 14.642742 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1271) -1 -9.145216 26.635327 -10.563327 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1271) -1 -8.678504 26.430195 -11.405836 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1271) -1 -8.546309 26.158159 -9.934863 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1272) -1 -2.486319 -12.866823 14.762813 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1272) -1 -2.108117 -13.708968 15.108892 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1272) -1 -2.245472 -12.975804 13.808594 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1273) -1 3.630921 6.462073 -5.870539 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1273) -1 3.736125 5.537873 -6.202851 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1273) -1 2.653184 6.442400 -5.702992 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1275) -1 -15.128681 -19.434352 7.374708 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1275) -1 -15.644794 -18.597233 7.257482 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1275) -1 -15.047468 -19.426532 8.352330 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1276) -1 -23.664143 -6.216391 17.036119 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1276) -1 -22.767513 -6.393749 16.656312 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1276) -1 -24.183452 -6.133830 16.224910 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1277) -1 -19.348664 -15.962017 -14.755433 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1277) -1 -19.048492 -16.882591 -14.927174 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1277) -1 -18.728748 -15.761371 -13.985337 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1278) -1 -26.629368 -26.838636 -3.171229 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1278) -1 -26.566681 -26.082632 -2.546829 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1278) -1 -25.779023 -26.727157 -3.655143 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1279) -1 8.769412 0.058402 -17.402388 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1279) -1 8.324858 0.483585 -16.637831 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1279) -1 8.556319 -0.881447 -17.231301 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1280) -1 26.987377 -10.320201 -14.464272 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1280) -1 26.635473 -9.469332 -14.098264 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1280) -1 26.650615 -10.232727 -15.388175 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1281) -1 -7.614832 20.017469 -11.071821 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1281) -1 -7.550504 19.886569 -12.047262 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1281) -1 -8.566088 19.794775 -10.947113 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1282) -1 -30.136616 -21.690034 -2.557367 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1282) -1 -29.515713 -21.338486 -1.872327 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1282) -1 -30.663423 -20.874740 -2.722291 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1284) -1 10.712666 14.277888 8.986268 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1284) -1 10.037383 14.926474 8.747684 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1284) -1 11.496082 14.647067 8.508999 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1285) -1 -23.784291 3.683740 -3.107655 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1285) -1 -23.141896 3.354300 -3.800754 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1285) -1 -24.546547 3.086839 -3.344025 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1286) -1 -20.675349 10.309708 12.583410 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1286) -1 -20.717714 11.287367 12.642524 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1286) -1 -20.030048 10.124718 13.301299 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1287) -1 -10.485117 -19.164918 1.294350 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1287) -1 -10.987472 -19.088125 2.154661 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1287) -1 -9.716900 -19.690899 1.644748 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1288) -1 11.254916 -16.679452 -3.069387 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1288) -1 11.089926 -17.217115 -3.874531 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1288) -1 11.241201 -17.385914 -2.385364 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1289) -1 33.194739 7.845515 5.937923 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1289) -1 33.605965 8.363665 5.205563 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1289) -1 32.456554 7.428926 5.439336 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1290) -1 13.787926 -13.696387 5.188565 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1290) -1 13.552514 -13.643066 6.137161 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1290) -1 14.341838 -12.891366 5.101308 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1291) -1 16.855315 22.911255 6.439309 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1291) -1 16.794769 23.041632 5.472120 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1291) -1 16.644305 21.959291 6.505102 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1292) -1 -10.164923 -16.759480 -6.193046 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1292) -1 -10.943010 -16.202645 -5.941386 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1292) -1 -10.368567 -16.876127 -7.155256 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1293) -1 -25.152352 2.142429 -9.493557 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1293) -1 -24.539161 1.623498 -8.927704 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1293) -1 -25.731667 1.423528 -9.821076 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1294) -1 -0.584536 -15.724395 4.762823 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1294) -1 0.316868 -15.845377 5.152611 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1294) -1 -1.022127 -16.521283 5.160969 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1295) -1 8.059562 1.326101 -10.850735 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1295) -1 7.356611 0.658481 -11.025835 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1295) -1 8.850276 0.749769 -10.914949 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1296) -1 -0.935406 -1.701900 -11.055989 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1296) -1 -1.513717 -2.396168 -11.456384 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1296) -1 -0.470369 -2.281213 -10.390510 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1297) -1 20.021163 10.735561 -14.819240 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1297) -1 19.637857 10.955656 -13.939762 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1297) -1 20.635012 11.502512 -14.921502 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1298) -1 -9.035757 -18.027647 -0.645897 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1298) -1 -8.184260 -18.392576 -0.286001 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1298) -1 -9.638860 -18.334304 0.078845 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1299) -1 19.090896 11.057893 -12.268459 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1299) -1 19.557839 10.436320 -11.667046 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1299) -1 18.159364 10.824365 -12.059106 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1300) -1 -1.483366 -16.412855 8.623930 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1300) -1 -2.332566 -16.666808 9.069943 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1300) -1 -1.815112 -15.660288 8.074974 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1301) -1 -8.641050 24.815264 -4.996389 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1301) -1 -8.218071 25.514282 -5.548488 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1301) -1 -7.966424 24.102756 -5.095602 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1302) -1 -21.719965 16.758849 1.168828 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1302) -1 -21.521798 16.013638 0.542401 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1302) -1 -20.817940 16.808024 1.593888 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1303) -1 -9.964431 17.868040 -3.146786 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1303) -1 -10.010104 16.904229 -2.946586 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1303) -1 -9.188317 18.115927 -2.596300 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1304) -1 -18.661953 10.110068 -1.685185 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1304) -1 -19.335529 9.880249 -1.010268 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1304) -1 -18.022178 10.607338 -1.138010 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1305) -1 23.167975 -8.802006 14.240708 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1305) -1 22.415054 -8.392234 13.731707 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1305) -1 22.684399 -8.946058 15.094994 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1306) -1 -12.863280 29.810652 -3.321089 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1306) -1 -12.178519 29.476228 -3.955675 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1306) -1 -12.424882 29.513128 -2.479216 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1307) -1 -19.737720 6.598215 7.780053 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1307) -1 -20.215294 6.067820 7.100480 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1307) -1 -18.838908 6.621308 7.397710 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1308) -1 19.203835 16.305223 -2.442094 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1308) -1 18.828957 15.396533 -2.474481 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1308) -1 19.419834 16.427287 -3.401787 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1309) -1 14.358608 12.479163 16.121907 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1309) -1 15.185009 12.736716 15.658794 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1309) -1 13.704296 12.978269 15.581548 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1310) -1 8.039102 13.393019 -9.723807 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1310) -1 8.791229 13.274231 -9.092281 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1310) -1 8.536294 13.766327 -10.486118 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1311) -1 3.005933 -4.339650 16.493594 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1311) -1 3.946403 -4.362557 16.714382 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1311) -1 2.996592 -3.636483 15.801034 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1312) -1 32.727920 11.623923 -3.797518 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1312) -1 33.366627 11.206954 -3.172440 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1312) -1 31.922540 11.621837 -3.239216 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1313) -1 -10.706399 18.111901 -13.534769 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1313) -1 -9.893282 17.876022 -14.007266 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1313) -1 -11.132179 17.223087 -13.449783 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1314) -1 -10.545147 -22.370300 3.003338 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1314) -1 -11.188065 -22.653218 2.313142 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1314) -1 -11.186064 -22.050716 3.687978 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1315) -1 18.526748 -4.575213 -17.038696 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1315) -1 18.863335 -5.490358 -17.167234 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1315) -1 17.722599 -4.785263 -16.501861 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1316) -1 -21.179112 10.067194 -5.032087 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1316) -1 -21.678509 9.305014 -4.645437 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1316) -1 -21.914192 10.556107 -5.452524 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1317) -1 -12.362905 10.061729 -9.992382 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1317) -1 -12.970935 9.641723 -9.327913 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1317) -1 -11.896998 9.248103 -10.293126 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1318) -1 -20.921579 26.523821 -0.022429 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1318) -1 -20.518648 25.647215 0.185756 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1318) -1 -20.629156 26.617865 -0.958305 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1319) -1 23.039651 -15.581463 -11.244297 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1319) -1 22.873726 -15.206861 -12.140136 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1319) -1 22.260252 -16.182680 -11.177442 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1320) -1 4.446680 13.440665 -5.086674 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1320) -1 4.818507 12.582276 -5.390563 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1320) -1 3.644283 13.118078 -4.624246 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1321) -1 -9.213673 14.422501 0.890757 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1321) -1 -10.127076 14.355114 0.541561 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1321) -1 -9.086170 13.507682 1.224495 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1322) -1 -23.500208 -3.028122 2.504633 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1322) -1 -23.946365 -2.345502 1.948350 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1322) -1 -23.359214 -2.481449 3.325229 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1323) -1 2.815487 -2.499587 14.494216 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1323) -1 2.250319 -1.687114 14.486064 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1323) -1 3.175683 -2.426484 13.569832 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1324) -1 -30.398351 -21.238220 -6.854147 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1324) -1 -30.485387 -20.302404 -6.551556 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1324) -1 -30.932984 -21.677961 -6.148651 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1325) -1 -12.537637 16.156424 -4.606828 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1325) -1 -11.856691 15.741387 -5.192449 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1325) -1 -12.539286 17.060492 -4.979158 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1326) -1 -2.234556 10.338882 2.233116 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1326) -1 -1.371001 9.879593 2.169667 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1326) -1 -2.428095 10.490867 1.284697 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1327) -1 -6.046734 21.634546 -9.690163 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1327) -1 -5.203423 21.156232 -9.742883 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1327) -1 -6.644470 20.965633 -10.121836 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1328) -1 -22.934923 -9.937590 -10.935655 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1328) -1 -22.346867 -10.524141 -11.467658 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1328) -1 -22.395512 -9.116551 -10.943588 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1329) -1 -12.075910 15.858103 -13.096492 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1329) -1 -11.923746 15.627964 -12.142391 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1329) -1 -12.025286 14.933931 -13.467092 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1330) -1 28.089969 -11.894239 -6.250315 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1330) -1 27.900136 -12.713576 -6.755075 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1330) -1 27.469435 -11.274233 -6.676171 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1331) -1 -22.523509 19.843561 8.247506 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1331) -1 -22.830489 19.555345 7.369854 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1331) -1 -21.621164 20.164860 8.035385 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1332) -1 17.276758 5.859402 -17.300779 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1332) -1 17.161158 6.500265 -16.559275 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1332) -1 16.910878 5.053033 -16.877295 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1333) -1 -12.969799 2.755574 18.174772 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1333) -1 -12.755736 3.109774 19.064676 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1333) -1 -13.929249 2.568276 18.292184 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1334) -1 -12.217427 15.939698 5.442459 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1334) -1 -12.397615 15.971113 6.407438 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1334) -1 -12.837282 15.222780 5.175874 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1335) -1 -27.728115 -17.145473 -2.728460 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1335) -1 -28.492040 -17.062251 -3.348454 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1335) -1 -27.855528 -16.315205 -2.214498 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1336) -1 -17.237085 -9.617008 15.233444 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1336) -1 -17.319597 -9.601461 14.251547 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1336) -1 -16.979249 -10.532873 15.385602 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1337) -1 28.673494 3.367973 -9.901596 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1337) -1 28.698770 4.172851 -10.478711 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1337) -1 29.623115 3.197453 -9.803766 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1338) -1 -2.394809 -18.595997 0.800796 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1338) -1 -3.324289 -18.468186 1.066224 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1338) -1 -2.384542 -19.528874 0.552844 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1339) -1 -23.488783 16.078319 7.759403 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1339) -1 -22.860273 15.326199 7.894010 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1339) -1 -24.262658 15.564874 7.425070 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1340) -1 31.648600 12.647191 -6.019689 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1340) -1 32.140163 12.325252 -5.224259 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1340) -1 32.007794 12.066704 -6.701405 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1341) -1 -11.811171 28.655322 -1.113816 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1341) -1 -12.562295 28.645749 -0.474794 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1341) -1 -11.339520 27.841010 -0.813392 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1342) -1 -6.089262 -10.861044 -12.380762 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1342) -1 -5.721495 -11.637619 -12.829874 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1342) -1 -5.342932 -10.567329 -11.830075 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1343) -1 -11.130429 28.641680 -5.004427 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1343) -1 -10.965735 27.696891 -5.240749 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1343) -1 -10.409481 28.754726 -4.329013 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1344) -1 -15.902055 4.154591 16.748473 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1344) -1 -16.752074 4.288722 16.273895 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1344) -1 -16.141754 3.432053 17.355525 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1345) -1 16.782360 17.567557 -2.013355 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1345) -1 17.729878 17.292470 -2.022844 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1345) -1 16.704285 17.787022 -1.041817 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1346) -1 33.797212 9.012438 3.551479 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1346) -1 33.147022 9.713383 3.300254 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1346) -1 33.550175 8.329584 2.879516 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1347) -1 -18.921714 26.802087 -14.762950 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1347) -1 -19.228661 25.952657 -15.161694 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1347) -1 -18.818607 26.513703 -13.832997 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1348) -1 -18.069206 6.695442 12.183480 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1348) -1 -18.303782 5.742123 12.330904 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1348) -1 -18.749380 6.900028 11.493395 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1349) -1 -7.600378 -21.793569 -3.322617 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1349) -1 -8.276315 -21.143279 -2.986641 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1349) -1 -6.794805 -21.327408 -2.974460 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1350) -1 -10.320498 -8.495090 18.214243 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1350) -1 -9.770467 -9.204198 18.622391 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1350) -1 -10.098865 -7.756755 18.835711 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1351) -1 26.182473 13.954297 10.392915 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1351) -1 26.278848 13.457412 9.560286 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1351) -1 25.235721 14.217432 10.338751 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1352) -1 22.330040 -15.541457 5.299478 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1352) -1 21.490623 -15.243432 4.880685 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1352) -1 22.377509 -14.866747 6.031095 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1353) -1 9.933238 12.484384 -2.617668 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1353) -1 10.170356 12.583762 -1.657394 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1353) -1 10.824410 12.231383 -2.961402 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1354) -1 14.769342 9.835501 13.303492 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1354) -1 15.748727 9.938213 13.331715 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1354) -1 14.547654 10.715040 12.886893 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1355) -1 11.061365 -6.195848 6.022650 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1355) -1 11.320243 -7.110705 5.770295 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1355) -1 10.528753 -6.394214 6.830961 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1356) -1 30.581118 -8.022310 -4.115437 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1356) -1 29.722933 -7.663774 -3.802842 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1356) -1 30.323381 -8.960778 -4.261778 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1357) -1 -1.956091 -13.485213 -4.599436 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1357) -1 -2.791674 -13.567540 -4.101933 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1357) -1 -1.653524 -14.421529 -4.576796 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1358) -1 11.581043 15.233340 3.125874 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1358) -1 12.398577 15.069558 3.676319 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1358) -1 11.435585 16.179864 3.409651 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1359) -1 20.953596 5.638551 -9.469576 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1359) -1 20.234914 5.749908 -8.824235 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1359) -1 21.439877 6.486837 -9.337118 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1360) -1 22.192422 -15.425978 -5.383801 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1360) -1 21.686149 -15.765558 -6.141594 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1360) -1 21.674882 -15.767552 -4.633189 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1361) -1 21.173562 12.549430 12.461743 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1361) -1 20.457731 12.947804 13.022651 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1361) -1 21.142282 13.210703 11.718272 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1362) -1 22.538153 -14.168598 -13.512394 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1362) -1 22.259592 -13.244210 -13.758325 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1362) -1 21.842612 -14.653076 -14.059552 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1363) -1 11.396484 0.579603 -17.360847 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1363) -1 10.423769 0.469614 -17.547571 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1363) -1 11.504282 -0.190285 -16.749657 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1364) -1 24.102463 -1.945591 -15.272821 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1364) -1 23.343592 -1.330057 -15.349486 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1364) -1 24.431966 -1.695465 -14.383145 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1365) -1 -19.628794 18.715611 -10.140540 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1365) -1 -19.254697 18.389312 -10.987396 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1365) -1 -19.482902 17.909568 -9.588101 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1366) -1 6.923612 -7.476346 -11.204058 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1366) -1 6.553617 -7.055143 -10.393591 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1366) -1 7.636750 -8.013590 -10.795236 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1367) -1 -7.424255 -17.455256 14.884898 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1367) -1 -7.303739 -16.983744 14.017728 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1367) -1 -6.788515 -18.192225 14.735271 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1368) -1 -6.643319 22.897355 -5.032223 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1368) -1 -5.786588 22.982302 -4.581338 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1368) -1 -7.007075 22.107793 -4.555475 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1369) -1 -26.468383 -24.397402 -1.924867 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1369) -1 -25.733583 -23.898799 -2.369186 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1369) -1 -27.217629 -24.094373 -2.495281 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1370) -1 12.085056 8.188795 9.653011 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1370) -1 12.626976 7.904847 10.427285 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1370) -1 11.694006 7.315321 9.405844 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1371) -1 -15.788615 13.641143 0.012405 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1371) -1 -14.913868 13.280872 -0.317365 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1371) -1 -16.306276 12.795890 -0.070993 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1372) -1 -6.563668 4.178897 15.877187 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1372) -1 -5.770999 3.617578 16.029292 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1372) -1 -6.904558 4.238715 16.798272 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1373) -1 21.356344 -9.006125 16.250509 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1373) -1 20.501037 -8.887904 15.772842 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1373) -1 21.065839 -8.918737 17.166851 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1374) -1 -17.806415 12.387168 -5.678603 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1374) -1 -18.004089 11.846962 -6.475360 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1374) -1 -16.839577 12.217634 -5.594905 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1375) -1 28.886752 -9.626763 -1.515136 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1375) -1 29.244294 -10.085684 -2.311884 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1375) -1 28.119129 -10.231466 -1.331550 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1376) -1 -10.372474 -21.624056 7.115675 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1376) -1 -9.538590 -21.094326 7.134031 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1376) -1 -10.700817 -21.402363 8.025191 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1377) -1 31.710874 2.932917 -1.879642 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1377) -1 30.925117 2.751666 -2.459983 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1377) -1 32.116558 3.660055 -2.413619 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1378) -1 -12.035827 20.835534 8.792706 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1378) -1 -13.005962 20.940988 8.681260 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1378) -1 -12.028348 20.393064 9.680362 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1379) -1 -2.009965 9.649981 -5.627687 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1379) -1 -1.154885 9.254487 -5.347456 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1379) -1 -2.360886 8.926995 -6.188393 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1380) -1 -26.960523 -4.432565 -2.638402 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1380) -1 -26.290049 -4.983754 -3.100198 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1380) -1 -26.397732 -4.035603 -1.938993 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1381) -1 -24.285620 -6.024972 19.665541 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1381) -1 -23.370404 -5.880283 19.927906 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1381) -1 -24.188980 -6.121903 18.689606 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1382) -1 -9.892545 17.119325 -9.614650 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1382) -1 -9.008176 16.721093 -9.533843 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1382) -1 -10.036634 17.393939 -8.670602 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1383) -1 -3.990615 -17.002697 -9.792541 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1383) -1 -3.140227 -16.609658 -10.081996 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1383) -1 -3.800094 -17.163183 -8.845664 L O-OW--0.834000(PDBName=O,ResName=WAT,ResNum=1384) -1 18.909638 7.648828 13.309377 L H-HW-0.417000(PDBName=H1,ResName=WAT,ResNum=1384) -1 19.400137 8.493043 13.199103 L H-HW-0.417000(PDBName=H2,ResName=WAT,ResNum=1384) -1 18.059798 7.970310 13.644164 L H-HS-0.193300(PDBName=HG,ResName=GDS,ResNum=238) 0 -19.060923 -18.837759 -8.133921 H 1 944 1.0 2 1.0 3 1.0 4 1.0 2 3 4 5 1.0 6 1.0 7 1.0 5 6 7 8 1.0 9 1.0 8 9 10 1013 1.0 11 1.0 1015 1.0 12 1.0 11 12 13 1.0 14 1.0 13 14 15 1.0 16 1.0 15 16 17 1.0 18 1.0 22 1.0 17 18 19 1.0 20 1.0 21 1.0 19 20 21 22 23 1.0 24 1.0 23 24 25 1.0 26 1.0 25 26 27 1.0 28 1.0 29 1.0 27 28 29 30 1.0 31 1.0 30 31 32 1.0 33 1.0 32 33 34 1.0 35 1.0 46 1.0 34 35 36 1.0 37 1.0 38 1.0 36 37 38 39 1.0 44 1.0 39 40 1.0 41 1.0 40 41 42 1.0 43 1.0 42 43 44 1.0 44 45 1.0 45 46 47 1.0 48 1.0 47 48 49 1.0 50 1.0 49 50 51 1.0 52 1.0 151 1.0 51 52 53 1.0 54 1.0 55 1.0 53 54 55 56 1.0 56 57 1981 1.0 58 1.0 59 1.0 60 1.0 58 59 60 61 1.0 62 1.0 61 62 63 1.0 66 1.0 63 64 1.0 65 1.0 64 65 66 67 1.0 68 1.0 67 68 69 70 1.0 73 1.0 77 1.0 78 1.0 70 71 1.0 72 1.0 71 72 73 74 1.0 75 1.0 76 1.0 74 75 76 77 78 79 1.0 80 1.0 81 1.0 79 80 81 82 1.0 83 1.0 84 1.0 82 83 84 85 1.0 123 1.0 85 86 1.0 122 1.0 86 87 1.0 111 1.0 121 1.0 87 88 1.0 109 1.0 110 1.0 88 89 1.0 89 90 1.0 7167 1.0 90 91 1.0 107 1.0 108 1.0 91 92 1.0 99 1.0 106 1.0 92 93 1.0 98 1.0 93 94 1.0 97 1.0 94 3780 1.0 95 1.0 96 1.0 95 96 97 98 99 100 1.0 105 1.0 100 101 1.0 104 1.0 101 3783 1.0 102 1.0 103 1.0 102 103 104 105 106 107 108 109 110 111 112 1.0 113 1.0 112 113 114 1.0 120 1.0 114 115 1.0 118 1.0 119 1.0 115 116 1.0 117 1.0 116 117 118 119 120 121 122 123 124 125 1.0 126 1.0 125 126 1.0 126 127 128 1.0 129 1.0 128 129 1.0 129 130 131 1.0 132 1.0 131 132 1.0 132 133 134 1.0 135 1.0 134 135 1.0 135 136 137 1.0 138 1.0 137 138 1.0 138 139 140 1.0 141 1.0 140 141 1.0 141 142 143 1.0 144 1.0 143 144 1.0 144 145 146 1.0 147 1.0 146 147 1.0 147 148 149 1.0 150 1.0 149 150 1.0 150 151 152 1.0 153 1.0 152 153 154 1.0 1033 1.0 154 155 1401 1.0 156 1.0 157 1.0 158 1.0 156 157 158 159 1.0 160 1.0 161 1.0 159 160 161 162 1.0 163 1.0 164 1.0 162 163 164 165 166 1.0 167 1.0 166 167 1.0 167 168 169 1.0 170 1.0 169 170 1.0 170 171 172 1.0 173 1.0 172 173 1.0 173 174 175 1.0 176 1.0 175 176 1.0 176 177 178 1.0 179 1.0 178 179 1.0 179 180 181 1.0 182 1.0 181 182 1.0 182 183 184 1.0 185 1.0 184 185 1.0 185 186 187 1.0 188 1.0 187 188 1.0 188 189 190 1.0 191 1.0 190 191 1.0 191 192 193 1.0 194 1.0 193 194 1.0 194 195 196 1.0 197 1.0 196 197 1.0 197 198 199 1.0 200 1.0 199 200 1.0 200 201 202 1.0 203 1.0 202 203 1.0 203 204 205 1.0 206 1.0 207 1.0 208 1.0 205 206 207 208 209 1.0 210 1.0 221 1.0 209 210 211 1.0 212 1.0 213 1.0 211 212 213 214 1.0 215 1.0 216 1.0 214 215 216 217 1.0 217 218 1.0 219 1.0 220 1.0 218 219 220 221 222 1.0 223 1.0 222 223 224 1.0 225 1.0 224 225 226 1.0 227 1.0 240 1.0 226 227 228 1.0 229 1.0 230 1.0 228 229 230 231 1.0 232 1.0 236 1.0 231 232 233 1.0 234 1.0 235 1.0 233 234 235 236 237 1.0 238 1.0 239 1.0 237 238 239 240 241 1.0 242 1.0 241 242 243 1.0 244 1.0 243 244 245 1.0 246 1.0 264 1.0 245 246 247 1.0 248 1.0 249 1.0 247 248 249 250 1.0 251 1.0 252 1.0 250 251 252 253 1.0 254 1.0 255 1.0 253 254 255 256 1.0 257 1.0 256 257 258 1.0 261 1.0 258 259 1.0 260 1.0 259 260 261 262 1.0 263 1.0 262 263 264 265 1.0 266 1.0 265 266 267 1.0 268 1.0 267 268 269 1.0 270 1.0 288 1.0 269 270 271 1.0 272 1.0 273 1.0 271 272 273 274 1.0 275 1.0 276 1.0 274 275 276 277 1.0 278 1.0 279 1.0 277 278 279 280 1.0 281 1.0 280 281 282 1.0 285 1.0 282 283 1.0 284 1.0 283 284 285 286 1.0 287 1.0 286 287 288 289 1.0 290 1.0 289 290 291 1.0 292 1.0 291 292 293 1.0 294 1.0 298 1.0 293 294 295 1.0 296 1.0 297 1.0 295 296 297 298 299 1.0 300 1.0 299 300 301 1.0 302 1.0 301 302 303 1.0 304 1.0 317 1.0 303 304 305 1.0 306 1.0 307 1.0 305 306 307 308 1.0 309 1.0 313 1.0 308 309 310 1.0 311 1.0 312 1.0 310 311 312 313 314 1.0 315 1.0 316 1.0 314 315 316 317 318 1.0 319 1.0 318 319 320 1.0 321 1.0 320 321 322 1.0 323 1.0 336 1.0 322 323 324 1.0 325 1.0 326 1.0 324 325 326 327 1.0 328 1.0 332 1.0 327 328 329 1.0 330 1.0 331 1.0 329 330 331 332 333 1.0 334 1.0 335 1.0 333 334 335 336 337 1.0 338 1.0 337 338 339 1.0 340 1.0 339 340 341 1.0 342 1.0 347 1.0 341 342 343 1.0 344 1.0 345 1.0 343 344 345 346 1.0 346 347 348 1.0 349 1.0 348 349 350 1.0 351 1.0 350 351 352 1.0 353 1.0 366 1.0 352 353 354 1.0 355 1.0 356 1.0 354 355 356 357 1.0 358 1.0 362 1.0 357 358 359 1.0 360 1.0 361 1.0 359 360 361 362 363 1.0 364 1.0 365 1.0 363 364 365 366 367 1.0 368 1.0 367 368 369 1.0 370 1.0 369 370 371 1.0 372 1.0 376 1.0 371 372 373 1.0 374 1.0 375 1.0 373 374 375 376 377 1.0 378 1.0 377 378 379 1.0 380 1.0 379 380 381 1.0 382 1.0 392 1.0 381 382 383 1.0 384 1.0 388 1.0 383 384 385 1.0 386 1.0 387 1.0 385 386 387 388 389 1.0 390 1.0 391 1.0 389 390 391 392 393 1.0 394 1.0 393 394 395 1.0 396 1.0 395 396 397 1.0 398 1.0 402 1.0 397 398 399 1.0 400 1.0 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1194 1195 1.0 1196 1.0 1195 1196 1197 1.0 1198 1.0 1199 1.0 1197 1198 1199 1200 1.0 1201 1.0 1200 1201 1202 1.0 1203 1.0 1202 1203 1204 1.0 1205 1.0 1221 1.0 1204 1205 1206 1.0 1207 1.0 1208 1.0 1206 1207 1208 1209 1.0 1210 1.0 1211 1.0 1209 1210 1211 1212 1.0 1213 1.0 1214 1.0 1212 1213 1214 1215 1.0 1216 1.0 1217 1.0 1215 1216 1217 1218 1.0 1219 1.0 1220 1.0 1218 1219 1220 1221 1222 1.0 1223 1.0 1222 1223 1224 1.0 1225 1.0 1224 1225 1226 1.0 1227 1.0 1240 1.0 1226 1227 1228 1.0 1229 1.0 1230 1.0 1228 1229 1230 1231 1.0 1232 1.0 1236 1.0 1231 1232 1233 1.0 1234 1.0 1235 1.0 1233 1234 1235 1236 1237 1.0 1238 1.0 1239 1.0 1237 1238 1239 1240 1241 1.0 1242 1.0 1241 1242 1243 1.0 1244 1.0 1243 1244 1245 1.0 1246 1.0 1262 1.0 1245 1246 1247 1.0 1248 1.0 1249 1.0 1247 1248 1249 1250 1.0 1251 1.0 1252 1.0 1250 1251 1252 1253 1.0 1254 1.0 1255 1.0 1253 1254 1255 1256 1.0 1257 1.0 1258 1.0 1256 1257 1258 1259 1.0 1260 1.0 1261 1.0 1259 1260 1261 1262 1263 1.0 1264 1.0 1263 1264 1265 1.0 1266 1.0 1265 1266 1267 1.0 1268 1.0 1272 1.0 1267 1268 1269 1.0 1270 1.0 1271 1.0 1269 1270 1271 1272 1273 1.0 1274 1.0 1273 1274 1275 1.0 1276 1.0 1275 1276 1277 1.0 1278 1.0 1287 1.0 1277 1278 1279 1.0 1280 1.0 1281 1.0 1279 1280 1281 1282 1.0 1283 1.0 1284 1.0 1282 1283 1284 1285 1.0 1286 1.0 1285 1286 1287 1288 1.0 1289 1.0 1288 1289 1290 1.0 1291 1.0 1290 1291 1292 1.0 1293 1.0 1294 1.0 1292 1293 1294 1295 1.0 1296 1.0 1295 1296 1297 1.0 1298 1.0 1297 1298 1299 1.0 1300 1.0 1305 1.0 1299 1300 1301 1.0 1302 1.0 1303 1.0 1301 1302 1303 1304 1.0 1304 1305 1306 1.0 1307 1.0 1306 1307 1308 1.0 1309 1.0 1308 1309 1310 1.0 1311 1.0 1320 1.0 1310 1311 1312 1.0 1313 1.0 1314 1.0 1312 1313 1314 1315 1.0 1316 1.0 1317 1.0 1315 1316 1317 1318 1.0 1319 1.0 1318 1319 1320 1321 1.0 1322 1.0 1321 1322 1323 1.0 1324 1.0 1323 1324 1325 1.0 1326 1.0 1339 1.0 1325 1326 1327 1.0 1328 1.0 1332 1.0 1327 1328 1329 1.0 1330 1.0 1331 1.0 1329 1330 1331 1332 1333 1.0 1334 1.0 1335 1.0 1333 1334 1335 1336 1.0 1337 1.0 1338 1.0 1336 1337 1338 1339 1340 1.0 1341 1.0 1340 1341 1342 1.0 1343 1.0 1342 1343 1344 1.0 1345 1.0 1363 1.0 1344 1345 1346 1.0 1347 1.0 1348 1.0 1346 1347 1348 1349 1.0 1350 1.0 1351 1.0 1349 1350 1351 1352 1.0 1353 1.0 1354 1.0 1352 1353 1354 1355 1.0 1356 1.0 1355 1356 1357 1.0 1360 1.0 1357 1358 1.0 1359 1.0 1358 1359 1360 1361 1.0 1362 1.0 1361 1362 1363 1364 1.0 1365 1.0 1364 1365 1366 1.0 1367 1.0 1366 1367 1368 1.0 1369 1.0 1382 1.0 1368 1369 1370 1.0 1371 1.0 1372 1.0 1370 1371 1372 1373 1.0 1374 1.0 1378 1.0 1373 1374 1375 1.0 1376 1.0 1377 1.0 1375 1376 1377 1378 1379 1.0 1380 1.0 1381 1.0 1379 1380 1381 1382 1383 1.0 1384 1.0 1383 1384 1385 1.0 1386 1.0 1385 1386 1387 1.0 1388 1.0 1392 1.0 1387 1388 1389 1.0 1390 1.0 1391 1.0 1389 1390 1391 1392 1393 1.0 1394 1.0 1393 1394 1395 1.0 1396 1.0 1395 1396 1397 1.0 1398 1.0 1404 1.0 1397 1398 1399 1.0 1400 1.0 1401 1.0 1399 1400 1401 1402 1.0 1403 1.0 1402 1403 1404 1405 1.0 1406 1.0 1405 1406 1407 1.0 1408 1.0 1407 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6530 1.0 6530 6531 6532 1.0 6533 1.0 6532 6533 1.0 6533 6534 6535 1.0 6536 1.0 6535 6536 1.0 6536 6537 6538 1.0 6539 1.0 6538 6539 1.0 6539 6540 6541 1.0 6542 1.0 6541 6542 1.0 6542 6543 6544 1.0 6545 1.0 6544 6545 1.0 6545 6546 6547 1.0 6548 1.0 6547 6548 1.0 6548 6549 6550 1.0 6551 1.0 6550 6551 1.0 6551 6552 6553 1.0 6554 1.0 6553 6554 1.0 6554 6555 6556 1.0 6557 1.0 6556 6557 1.0 6557 6558 6559 1.0 6560 1.0 6559 6560 1.0 6560 6561 6562 1.0 6563 1.0 6562 6563 1.0 6563 6564 6565 1.0 6566 1.0 6565 6566 1.0 6566 6567 6568 1.0 6569 1.0 6568 6569 1.0 6569 6570 6571 1.0 6572 1.0 6571 6572 1.0 6572 6573 6574 1.0 6575 1.0 6574 6575 1.0 6575 6576 6577 1.0 6578 1.0 6577 6578 1.0 6578 6579 6580 1.0 6581 1.0 6580 6581 1.0 6581 6582 6583 1.0 6584 1.0 6583 6584 1.0 6584 6585 6586 1.0 6587 1.0 6586 6587 1.0 6587 6588 6589 1.0 6590 1.0 6589 6590 1.0 6590 6591 6592 1.0 6593 1.0 6592 6593 1.0 6593 6594 6595 1.0 6596 1.0 6595 6596 1.0 6596 6597 6598 1.0 6599 1.0 6598 6599 1.0 6599 6600 6601 1.0 6602 1.0 6601 6602 1.0 6602 6603 6604 1.0 6605 1.0 6604 6605 1.0 6605 6606 6607 1.0 6608 1.0 6607 6608 1.0 6608 6609 6610 1.0 6611 1.0 6610 6611 1.0 6611 6612 6613 1.0 6614 1.0 6613 6614 1.0 6614 6615 6616 1.0 6617 1.0 6616 6617 1.0 6617 6618 6619 1.0 6620 1.0 6619 6620 1.0 6620 6621 6622 1.0 6623 1.0 6622 6623 1.0 6623 6624 6625 1.0 6626 1.0 6625 6626 1.0 6626 6627 6628 1.0 6629 1.0 6628 6629 1.0 6629 6630 6631 1.0 6632 1.0 6631 6632 1.0 6632 6633 6634 1.0 6635 1.0 6634 6635 1.0 6635 6636 6637 1.0 6638 1.0 6637 6638 1.0 6638 6639 6640 1.0 6641 1.0 6640 6641 1.0 6641 6642 6643 1.0 6644 1.0 6643 6644 1.0 6644 6645 6646 1.0 6647 1.0 6646 6647 1.0 6647 6648 6649 1.0 6650 1.0 6649 6650 1.0 6650 6651 6652 1.0 6653 1.0 6652 6653 1.0 6653 6654 6655 1.0 6656 1.0 6655 6656 1.0 6656 6657 6658 1.0 6659 1.0 6658 6659 1.0 6659 6660 6661 1.0 6662 1.0 6661 6662 1.0 6662 6663 6664 1.0 6665 1.0 6664 6665 1.0 6665 6666 6667 1.0 6668 1.0 6667 6668 1.0 6668 6669 6670 1.0 6671 1.0 6670 6671 1.0 6671 6672 6673 1.0 6674 1.0 6673 6674 1.0 6674 6675 6676 1.0 6677 1.0 6676 6677 1.0 6677 6678 6679 1.0 6680 1.0 6679 6680 1.0 6680 6681 6682 1.0 6683 1.0 6682 6683 1.0 6683 6684 6685 1.0 6686 1.0 6685 6686 1.0 6686 6687 6688 1.0 6689 1.0 6688 6689 1.0 6689 6690 6691 1.0 6692 1.0 6691 6692 1.0 6692 6693 6694 1.0 6695 1.0 6694 6695 1.0 6695 6696 6697 1.0 6698 1.0 6697 6698 1.0 6698 6699 6700 1.0 6701 1.0 6700 6701 1.0 6701 6702 6703 1.0 6704 1.0 6703 6704 1.0 6704 6705 6706 1.0 6707 1.0 6706 6707 1.0 6707 6708 6709 1.0 6710 1.0 6709 6710 1.0 6710 6711 6712 1.0 6713 1.0 6712 6713 1.0 6713 6714 6715 1.0 6716 1.0 6715 6716 1.0 6716 6717 6718 1.0 6719 1.0 6718 6719 1.0 6719 6720 6721 1.0 6722 1.0 6721 6722 1.0 6722 6723 6724 1.0 6725 1.0 6724 6725 1.0 6725 6726 6727 1.0 6728 1.0 6727 6728 1.0 6728 6729 6730 1.0 6731 1.0 6730 6731 1.0 6731 6732 6733 1.0 6734 1.0 6733 6734 1.0 6734 6735 6736 1.0 6737 1.0 6736 6737 1.0 6737 6738 6739 1.0 6740 1.0 6739 6740 1.0 6740 6741 6742 1.0 6743 1.0 6742 6743 1.0 6743 6744 6745 1.0 6746 1.0 6745 6746 1.0 6746 6747 6748 1.0 6749 1.0 6748 6749 1.0 6749 6750 6751 1.0 6752 1.0 6751 6752 1.0 6752 6753 6754 1.0 6755 1.0 6754 6755 1.0 6755 6756 6757 1.0 6758 1.0 6757 6758 1.0 6758 6759 6760 1.0 6761 1.0 6760 6761 1.0 6761 6762 6763 1.0 6764 1.0 6763 6764 1.0 6764 6765 6766 1.0 6767 1.0 6766 6767 1.0 6767 6768 6769 1.0 6770 1.0 6769 6770 1.0 6770 6771 6772 1.0 6773 1.0 6772 6773 1.0 6773 6774 6775 1.0 6776 1.0 6775 6776 1.0 6776 6777 6778 1.0 6779 1.0 6778 6779 1.0 6779 6780 6781 1.0 6782 1.0 6781 6782 1.0 6782 6783 6784 1.0 6785 1.0 6784 6785 1.0 6785 6786 6787 1.0 6788 1.0 6787 6788 1.0 6788 6789 6790 1.0 6791 1.0 6790 6791 1.0 6791 6792 6793 1.0 6794 1.0 6793 6794 1.0 6794 6795 6796 1.0 6797 1.0 6796 6797 1.0 6797 6798 6799 1.0 6800 1.0 6799 6800 1.0 6800 6801 6802 1.0 6803 1.0 6802 6803 1.0 6803 6804 6805 1.0 6806 1.0 6805 6806 1.0 6806 6807 6808 1.0 6809 1.0 6808 6809 1.0 6809 6810 6811 1.0 6812 1.0 6811 6812 1.0 6812 6813 6814 1.0 6815 1.0 6814 6815 1.0 6815 6816 6817 1.0 6818 1.0 6817 6818 1.0 6818 6819 6820 1.0 6821 1.0 6820 6821 1.0 6821 6822 6823 1.0 6824 1.0 6823 6824 1.0 6824 6825 6826 1.0 6827 1.0 6826 6827 1.0 6827 6828 6829 1.0 6830 1.0 6829 6830 1.0 6830 6831 6832 1.0 6833 1.0 6832 6833 1.0 6833 6834 6835 1.0 6836 1.0 6835 6836 1.0 6836 6837 6838 1.0 6839 1.0 6838 6839 1.0 6839 6840 6841 1.0 6842 1.0 6841 6842 1.0 6842 6843 6844 1.0 6845 1.0 6844 6845 1.0 6845 6846 6847 1.0 6848 1.0 6847 6848 1.0 6848 6849 6850 1.0 6851 1.0 6850 6851 1.0 6851 6852 6853 1.0 6854 1.0 6853 6854 1.0 6854 6855 6856 1.0 6857 1.0 6856 6857 1.0 6857 6858 6859 1.0 6860 1.0 6859 6860 1.0 6860 6861 6862 1.0 6863 1.0 6862 6863 1.0 6863 6864 6865 1.0 6866 1.0 6865 6866 1.0 6866 6867 6868 1.0 6869 1.0 6868 6869 1.0 6869 6870 6871 1.0 6872 1.0 6871 6872 1.0 6872 6873 6874 1.0 6875 1.0 6874 6875 1.0 6875 6876 6877 1.0 6878 1.0 6877 6878 1.0 6878 6879 6880 1.0 6881 1.0 6880 6881 1.0 6881 6882 6883 1.0 6884 1.0 6883 6884 1.0 6884 6885 6886 1.0 6887 1.0 6886 6887 1.0 6887 6888 6889 1.0 6890 1.0 6889 6890 1.0 6890 6891 6892 1.0 6893 1.0 6892 6893 1.0 6893 6894 6895 1.0 6896 1.0 6895 6896 1.0 6896 6897 6898 1.0 6899 1.0 6898 6899 1.0 6899 6900 6901 1.0 6902 1.0 6901 6902 1.0 6902 6903 6904 1.0 6905 1.0 6904 6905 1.0 6905 6906 6907 1.0 6908 1.0 6907 6908 1.0 6908 6909 6910 1.0 6911 1.0 6910 6911 1.0 6911 6912 6913 1.0 6914 1.0 6913 6914 1.0 6914 6915 6916 1.0 6917 1.0 6916 6917 1.0 6917 6918 6919 1.0 6920 1.0 6919 6920 1.0 6920 6921 6922 1.0 6923 1.0 6922 6923 1.0 6923 6924 6925 1.0 6926 1.0 6925 6926 1.0 6926 6927 6928 1.0 6929 1.0 6928 6929 1.0 6929 6930 6931 1.0 6932 1.0 6931 6932 1.0 6932 6933 6934 1.0 6935 1.0 6934 6935 1.0 6935 6936 6937 1.0 6938 1.0 6937 6938 1.0 6938 6939 6940 1.0 6941 1.0 6940 6941 1.0 6941 6942 6943 1.0 6944 1.0 6943 6944 1.0 6944 6945 6946 1.0 6947 1.0 6946 6947 1.0 6947 6948 6949 1.0 6950 1.0 6949 6950 1.0 6950 6951 6952 1.0 6953 1.0 6952 6953 1.0 6953 6954 6955 1.0 6956 1.0 6955 6956 1.0 6956 6957 6958 1.0 6959 1.0 6958 6959 1.0 6959 6960 6961 1.0 6962 1.0 6961 6962 1.0 6962 6963 6964 1.0 6965 1.0 6964 6965 1.0 6965 6966 6967 1.0 6968 1.0 6967 6968 1.0 6968 6969 6970 1.0 6971 1.0 6970 6971 1.0 6971 6972 6973 1.0 6974 1.0 6973 6974 1.0 6974 6975 6976 1.0 6977 1.0 6976 6977 1.0 6977 6978 6979 1.0 6980 1.0 6979 6980 1.0 6980 6981 6982 1.0 6983 1.0 6982 6983 1.0 6983 6984 6985 1.0 6986 1.0 6985 6986 1.0 6986 6987 6988 1.0 6989 1.0 6988 6989 1.0 6989 6990 6991 1.0 6992 1.0 6991 6992 1.0 6992 6993 6994 1.0 6995 1.0 6994 6995 1.0 6995 6996 6997 1.0 6998 1.0 6997 6998 1.0 6998 6999 7000 1.0 7001 1.0 7000 7001 1.0 7001 7002 7003 1.0 7004 1.0 7003 7004 1.0 7004 7005 7006 1.0 7007 1.0 7006 7007 1.0 7007 7008 7009 1.0 7010 1.0 7009 7010 1.0 7010 7011 7012 1.0 7013 1.0 7012 7013 1.0 7013 7014 7015 1.0 7016 1.0 7015 7016 1.0 7016 7017 7018 1.0 7019 1.0 7018 7019 1.0 7019 7020 7021 1.0 7022 1.0 7021 7022 1.0 7022 7023 7024 1.0 7025 1.0 7024 7025 1.0 7025 7026 7027 1.0 7028 1.0 7027 7028 1.0 7028 7029 7030 1.0 7031 1.0 7030 7031 1.0 7031 7032 7033 1.0 7034 1.0 7033 7034 1.0 7034 7035 7036 1.0 7037 1.0 7036 7037 1.0 7037 7038 7039 1.0 7040 1.0 7039 7040 1.0 7040 7041 7042 1.0 7043 1.0 7042 7043 1.0 7043 7044 7045 1.0 7046 1.0 7045 7046 1.0 7046 7047 7048 1.0 7049 1.0 7048 7049 1.0 7049 7050 7051 1.0 7052 1.0 7051 7052 1.0 7052 7053 7054 1.0 7055 1.0 7054 7055 1.0 7055 7056 7057 1.0 7058 1.0 7057 7058 1.0 7058 7059 7060 1.0 7061 1.0 7060 7061 1.0 7061 7062 7063 1.0 7064 1.0 7063 7064 1.0 7064 7065 7066 1.0 7067 1.0 7066 7067 1.0 7067 7068 7069 1.0 7070 1.0 7069 7070 1.0 7070 7071 7072 1.0 7073 1.0 7072 7073 1.0 7073 7074 7075 1.0 7076 1.0 7075 7076 1.0 7076 7077 7078 1.0 7079 1.0 7078 7079 1.0 7079 7080 7081 1.0 7082 1.0 7081 7082 1.0 7082 7083 7084 1.0 7085 1.0 7084 7085 1.0 7085 7086 7087 1.0 7088 1.0 7087 7088 1.0 7088 7089 7090 1.0 7091 1.0 7090 7091 1.0 7091 7092 7093 1.0 7094 1.0 7093 7094 1.0 7094 7095 7096 1.0 7097 1.0 7096 7097 1.0 7097 7098 7099 1.0 7100 1.0 7099 7100 1.0 7100 7101 7102 1.0 7103 1.0 7102 7103 1.0 7103 7104 7105 1.0 7106 1.0 7105 7106 1.0 7106 7107 7108 1.0 7109 1.0 7108 7109 1.0 7109 7110 7111 1.0 7112 1.0 7111 7112 1.0 7112 7113 7114 1.0 7115 1.0 7114 7115 1.0 7115 7116 7117 1.0 7118 1.0 7117 7118 1.0 7118 7119 7120 1.0 7121 1.0 7120 7121 1.0 7121 7122 7123 1.0 7124 1.0 7123 7124 1.0 7124 7125 7126 1.0 7127 1.0 7126 7127 1.0 7127 7128 7129 1.0 7130 1.0 7129 7130 1.0 7130 7131 7132 1.0 7133 1.0 7132 7133 1.0 7133 7134 7135 1.0 7136 1.0 7135 7136 1.0 7136 7137 7138 1.0 7139 1.0 7138 7139 1.0 7139 7140 7141 1.0 7142 1.0 7141 7142 1.0 7142 7143 7144 1.0 7145 1.0 7144 7145 1.0 7145 7146 7147 1.0 7148 1.0 7147 7148 1.0 7148 7149 7150 1.0 7151 1.0 7150 7151 1.0 7151 7152 7153 1.0 7154 1.0 7153 7154 1.0 7154 7155 7156 1.0 7157 1.0 7156 7157 1.0 7157 7158 7159 1.0 7160 1.0 7159 7160 1.0 7160 7161 7162 1.0 7163 1.0 7162 7163 1.0 7163 7164 7165 1.0 7166 1.0 7165 7166 1.0 7166 7167 VDW C* 1.9080 0.0860 VDW H5 1.3590 0.0150 VDW H4 1.4090 0.0150 VDW HA 1.4590 0.0150 VDW H1 1.3870 0.0157 VDW N3 1.8240 0.1700 VDW N2 1.8240 0.1700 VDW O2 1.6612 0.2100 VDW CN 1.9080 0.0860 VDW NA 1.8240 0.1700 VDW NB 1.8240 0.1700 VDW HS 0.6000 0.0157 VDW HP 1.1000 0.0157 VDW CB 1.9080 0.0860 VDW CC 1.9080 0.0860 VDW OW 1.7683 0.1520 VDW CA 1.9080 0.0860 VDW S 2.0000 0.2500 VDW OH 1.7210 0.2104 VDW CW 1.9080 0.0860 VDW N 1.8240 0.1700 VDW O 1.6612 0.2100 VDW SH 2.0000 0.2500 VDW HC 1.4870 0.0157 VDW H 0.6000 0.0157 VDW CR 1.9080 0.0860 VDW CV 1.9080 0.0860 VDW C 1.9080 0.0860 VDW CT 1.9080 0.1094 HrmStr1 CT H1 340.00 1.0900 HrmStr1 CT HC 340.00 1.0900 HrmStr1 CT HP 340.00 1.0900 HrmStr1 N3 H 434.00 1.0100 HrmStr1 N H 434.00 1.0100 HrmStr1 N2 H 434.00 1.0100 HrmStr1 SH HS 274.00 1.3360 HrmStr1 CV H4 367.00 1.0800 HrmStr1 CR H5 367.00 1.0800 HrmStr1 NA H 434.00 1.0100 HrmStr1 OH HO 553.00 0.9600 HrmStr1 CA HA 367.00 1.0800 HrmStr1 CW H4 367.00 1.0800 HrmStr1 HW HW 553.00 1.5136 HrmStr1 OW HW 553.00 0.9572 HrmStr1 C O 570.00 1.2290 HrmStr1 C N 490.00 1.3350 HrmStr1 S CT 227.00 1.8100 HrmStr1 CT CT 310.00 1.5260 HrmStr1 CT C 317.00 1.5220 HrmStr1 N3 CT 367.00 1.4710 HrmStr1 N CT 337.00 1.4490 HrmStr1 CA N2 481.00 1.3400 HrmStr1 CT N2 337.00 1.4630 HrmStr1 CT SH 237.00 1.8100 HrmStr1 C O2 656.00 1.2500 HrmStr1 NB CV 410.00 1.3940 HrmStr1 CR NB 488.00 1.3350 HrmStr1 NA CR 477.00 1.3430 HrmStr1 CC NA 422.00 1.3850 HrmStr1 CC CV 512.00 1.3750 HrmStr1 CT CC 317.00 1.5040 HrmStr1 CT OH 320.00 1.4100 HrmStr1 CA CA 469.00 1.4000 HrmStr1 CT CA 317.00 1.5100 HrmStr1 C OH 450.00 1.3640 HrmStr1 C CA 469.00 1.4090 HrmStr1 CA CB 469.00 1.4040 HrmStr1 CN CA 469.00 1.4000 HrmStr1 CN CB 447.00 1.4190 HrmStr1 NA CN 428.00 1.3800 HrmStr1 CW NA 427.00 1.3810 HrmStr1 C* CW 546.00 1.3520 HrmStr1 C* CB 388.00 1.4590 HrmStr1 CT C* 317.00 1.4950 HrmStr1 S S 166.00 2.0380 HrmBnd1 HW HW OW 0.00 0.00 HrmBnd1 HW OW HW 0.00 0.00 HrmBnd1 H1 CT HC 35.00 109.5000 #mimick H1-CT-HC HrmBnd1 C N H 50.00 120.0001 HrmBnd1 H1 CT H1 35.00 109.5000 HrmBnd1 S CT H1 50.00 109.5000 HrmBnd1 HC CT CT 50.00 109.5000 HrmBnd1 HC CT HC 35.00 109.5000 HrmBnd1 CT CT H1 50.00 109.5000 HrmBnd1 HP CT CT 50.00 109.5000 HrmBnd1 HP CT C 50.00 109.5000 HrmBnd1 H N3 CT 50.00 109.5000 HrmBnd1 H N3 H 35.00 109.5000 HrmBnd1 N3 CT HP 50.00 109.5000 HrmBnd1 H1 CT C 50.00 109.5000 HrmBnd1 H N CT 50.00 118.0401 HrmBnd1 N CT H1 50.00 109.5000 HrmBnd1 H N2 H 35.00 120.0001 HrmBnd1 CA N2 H 50.00 120.0001 HrmBnd1 H1 CT N2 50.00 109.5000 HrmBnd1 CT N2 H 50.00 118.4001 HrmBnd1 H1 CT SH 50.00 109.5000 HrmBnd1 CT SH HS 43.00 96.0000 HrmBnd1 HC CT C 50.00 109.5000 HrmBnd1 NB CV H4 50.00 120.0001 HrmBnd1 H5 CR NB 50.00 120.0001 HrmBnd1 H NA CR 50.00 120.0001 HrmBnd1 NA CR H5 50.00 120.0001 HrmBnd1 CC NA H 50.00 120.0001 HrmBnd1 CC CV H4 50.00 120.0001 HrmBnd1 HC CT CC 50.00 109.5000 HrmBnd1 HP CT HP 35.00 109.5000 HrmBnd1 H1 CT OH 50.00 109.5000 HrmBnd1 CT OH HO 55.00 108.5000 HrmBnd1 H N H 35.00 120.0001 HrmBnd1 HA CA CA 50.00 120.0001 HrmBnd1 HC CT CA 50.00 109.5000 HrmBnd1 C OH HO 50.00 113.0000 HrmBnd1 C CA HA 50.00 120.0001 HrmBnd1 HA CA CB 50.00 120.0001 HrmBnd1 CN CA HA 50.00 120.0001 HrmBnd1 H NA CN 50.00 123.1001 HrmBnd1 H4 CW NA 50.00 120.0001 HrmBnd1 CW NA H 50.00 120.0001 HrmBnd1 C* CW H4 50.00 120.0001 HrmBnd1 HC CT C* 50.00 109.5000 HrmBnd1 O C N 80.00 122.9001 HrmBnd1 C N CT 50.00 121.9001 HrmBnd1 CT S CT 62.00 98.9000 HrmBnd1 CT CT C 63.00 111.1000 HrmBnd1 CT CT S 50.00 114.7000 HrmBnd1 CT CT CT 40.00 109.5000 HrmBnd1 CT C O 80.00 120.4001 HrmBnd1 CT C N 70.00 116.6000 HrmBnd1 N3 CT CT 80.00 111.2000 HrmBnd1 N3 CT C 80.00 111.2000 HrmBnd1 N CT CT 80.00 109.7000 HrmBnd1 N CT C 63.00 110.1000 HrmBnd1 N2 CA N2 70.00 120.0001 HrmBnd1 CT N2 CA 50.00 123.2001 HrmBnd1 CT CT N2 80.00 111.2000 HrmBnd1 CT CT SH 50.00 108.6000 HrmBnd1 O2 C O2 80.00 126.0001 HrmBnd1 CT C O2 70.00 117.0001 HrmBnd1 CT N CT 50.00 118.0001 HrmBnd1 CR NB CV 70.00 117.0001 HrmBnd1 NA CC CV 70.00 120.0001 HrmBnd1 NA CR NB 70.00 120.0001 HrmBnd1 CC NA CR 70.00 120.0001 HrmBnd1 CC CV NB 70.00 120.0001 HrmBnd1 CT CC NA 70.00 120.0001 HrmBnd1 CT CC CV 70.00 120.0001 HrmBnd1 CT CT CC 63.00 113.1000 HrmBnd1 CT CT OH 50.00 109.5000 HrmBnd1 CA CA CA 63.00 120.0001 HrmBnd1 CT CA CA 70.00 120.0001 HrmBnd1 CT CT CA 63.00 114.0000 HrmBnd1 OH C CA 70.00 120.0001 HrmBnd1 C CA CA 63.00 120.0001 HrmBnd1 CA C CA 63.00 120.0001 HrmBnd1 CA CA CB 63.00 120.0001 HrmBnd1 CA CN CB 63.00 122.7001 HrmBnd1 CN CA CA 63.00 120.0001 HrmBnd1 CN CB CA 63.00 116.2000 HrmBnd1 NA CN CA 70.00 132.8001 HrmBnd1 NA CN CB 70.00 104.4000 HrmBnd1 CW C* CB 63.00 106.4000 HrmBnd1 CW NA CN 70.00 111.6000 HrmBnd1 C* CW NA 70.00 108.7000 HrmBnd1 C* CB CN 63.00 108.8000 HrmBnd1 C* CB CA 63.00 134.9001 HrmBnd1 CT C* CW 70.00 125.0001 HrmBnd1 CT C* CB 70.00 128.6001 HrmBnd1 CT CT C* 63.00 115.6000 HrmBnd1 S S CT 68.00 103.7000 AmbTrs CT CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs O2 C CT CT 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs O2 C CT N3 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N3 CT CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT C O 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT C N 0 0 0 0 0.200 0.200 0.400 0.000 1.0 AmbTrs CT C N CT 0 180 0 0 0.000 2.500 0.000 0.000 1.0 AmbTrs C N CT C 0 0 0 0 0.000 0.270 0.420 0.000 1.0 AmbTrs C N CT CT 0 0 0 0 2.000 2.000 0.400 0.000 1.0 AmbTrs N CT C N 180 180 180 0 0.450 1.580 0.550 0.000 1.0 AmbTrs N CT C O 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N CT CT S 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT S S 0 0 0 0 0.000 0.000 0.333 0.000 1.0 AmbTrs CT N C O 0 180 0 0 0.000 2.500 0.000 0.000 1.0 AmbTrs CT S S CT 0 0 0 0 0.000 3.500 0.600 0.000 1.0 AmbTrs S CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N CT C O2 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N CT CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT CT CT 180 180 0 0 0.200 0.250 0.180 0.000 1.0 AmbTrs CT N CT C 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT N CT CT 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs C CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N CT CT CC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT CC CV 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT CC NA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CC CV NB 0 180 0 0 0.000 5.150 0.000 0.000 1.0 AmbTrs CT CC NA CR 0 180 0 0 0.000 1.400 0.000 0.000 1.0 AmbTrs CC CV NB CR 0 180 0 0 0.000 2.400 0.000 0.000 1.0 AmbTrs CC NA CR NB 0 180 0 0 0.000 2.325 0.000 0.000 1.0 AmbTrs CC CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs NA CR NB CV 0 180 0 0 0.000 5.000 0.000 0.000 1.0 AmbTrs NA CC CV NB 0 180 0 0 0.000 5.150 0.000 0.000 1.0 AmbTrs CR NA CC CV 0 180 0 0 0.000 1.400 0.000 0.000 1.0 AmbTrs N CT CT CA 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT CA CA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CA CA CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CA CA CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N CT CT OH 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs OH CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT CT N2 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT N2 CA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT N2 CA N2 0 180 0 0 0.000 2.400 0.000 0.000 1.0 AmbTrs CA CA CA C 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CA C CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CA C OH 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs N CT CT C* 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT C* CB 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT C* CW 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT C* CB CA 0 180 0 0 0.000 1.675 0.000 0.000 1.0 AmbTrs CT C* CB CN 0 180 0 0 0.000 1.675 0.000 0.000 1.0 AmbTrs CT C* CW NA 0 180 0 0 0.000 6.525 0.000 0.000 1.0 AmbTrs C* CB CA CA 0 180 0 0 0.000 3.500 0.000 0.000 1.0 AmbTrs C* CB CN CA 0 180 0 0 0.000 3.000 0.000 0.000 1.0 AmbTrs C* CB CN NA 0 180 0 0 0.000 3.000 0.000 0.000 1.0 AmbTrs C* CW NA CN 0 180 0 0 0.000 1.500 0.000 0.000 1.0 AmbTrs C* CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CW NA CN CB 0 180 0 0 0.000 1.525 0.000 0.000 1.0 AmbTrs CW NA CN CA 0 180 0 0 0.000 1.525 0.000 0.000 1.0 AmbTrs CW C* CB CA 0 180 0 0 0.000 1.675 0.000 0.000 1.0 AmbTrs CW C* CB CN 0 180 0 0 0.000 1.675 0.000 0.000 1.0 AmbTrs NA CN CB CA 0 180 0 0 0.000 3.000 0.000 0.000 1.0 AmbTrs NA CN CA CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs NA CW C* CB 0 180 0 0 0.000 6.525 0.000 0.000 1.0 AmbTrs CN CB CA CA 0 180 0 0 0.000 3.500 0.000 0.000 1.0 AmbTrs CN CA CA CA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CN CB CA 0 180 0 0 0.000 3.000 0.000 0.000 1.0 AmbTrs CA CA CA CB 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA CA CN CB 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs N CT CT SH 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs SH CT CT C 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N3 CT C N 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N3 CT C O 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT CT S 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT S CT 0 0 0 0 0.000 0.000 0.333 0.000 1.0 AmbTrs CT CT CT HC 0 0 0 0 0.000 0.000 0.160 0.000 1.0 AmbTrs C CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs C CT N3 H 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs O2 C CT HP 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N3 CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H N3 CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H N3 CT HP 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs HP CT CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs HP CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs HC CT CT HC 0 0 0 0 0.000 0.000 0.150 0.000 1.0 AmbTrs CT C N H 0 180 0 0 0.000 2.500 0.000 0.000 1.0 AmbTrs HC CT C O 0 0 180 0 0.800 0.000 0.080 0.000 1.0 AmbTrs HC CT C N 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs C N CT H1 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N CT CT H1 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CT N H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs S S CT H1 0 0 0 0 0.000 0.000 0.333 0.000 1.0 AmbTrs S CT CT H1 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs C CT N H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs C CT CT H1 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N C CT H1 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs O2 C CT H1 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs H1 CT N H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs H N C O 0 180 0 0 2.000 2.500 0.000 0.000 1.0 AmbTrs O C CT H1 0 0 180 0 0.800 0.000 0.080 0.000 1.0 AmbTrs H1 CT CT H1 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs N CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H1 CT CT CT 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H1 CT CT HC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT N CT H1 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs H1 CT CT CC 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CC CV H4 0 180 0 0 0.000 5.150 0.000 0.000 1.0 AmbTrs CT CC NA H 0 180 0 0 0.000 1.400 0.000 0.000 1.0 AmbTrs HC CT CC CV 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HC CT CC NA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CC NA CR H5 0 180 0 0 0.000 2.325 0.000 0.000 1.0 AmbTrs NA CC CV H4 0 180 0 0 0.000 5.150 0.000 0.000 1.0 AmbTrs H NA CR NB 0 180 0 0 0.000 2.325 0.000 0.000 1.0 AmbTrs H NA CR H5 0 180 0 0 0.000 2.325 0.000 0.000 1.0 AmbTrs H NA CC CV 0 180 0 0 0.000 1.400 0.000 0.000 1.0 AmbTrs CR NB CV H4 0 180 0 0 0.000 2.400 0.000 0.000 1.0 AmbTrs H5 CR NB CV 0 180 0 0 0.000 5.000 0.000 0.000 1.0 AmbTrs H1 CT CT CA 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT CA CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HC CT CA CA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CA CA CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HA CA CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HC CT C O2 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs CT CT OH HO 0 0 0 0 0.250 0.000 0.160 0.000 1.0 AmbTrs H1 CT CT OH 0 0 0 0 0.250 0.000 0.000 0.000 1.0 AmbTrs H1 CT OH HO 0 0 0 0 0.000 0.000 0.167 0.000 1.0 AmbTrs HC CT CT OH 0 0 0 0 0.250 0.000 0.000 0.000 1.0 AmbTrs CT CT N2 H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HC CT CT N2 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H1 CT N2 CA 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs H1 CT N2 H 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs N2 CA N2 H 0 180 0 0 0.000 2.400 0.000 0.000 1.0 AmbTrs HA CA CA C 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA C CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CA C OH HO 0 180 0 0 0.000 2.300 0.000 0.000 1.0 AmbTrs HA CA C OH 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs H1 CT CT C* 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT C* CW H4 0 180 0 0 0.000 6.525 0.000 0.000 1.0 AmbTrs HC CT C* CB 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HC CT C* CW 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs C* CB CA HA 0 180 0 0 0.000 3.500 0.000 0.000 1.0 AmbTrs C* CW NA H 0 180 0 0 0.000 1.500 0.000 0.000 1.0 AmbTrs H4 CW NA CN 0 180 0 0 0.000 1.500 0.000 0.000 1.0 AmbTrs H4 CW NA H 0 180 0 0 0.000 1.500 0.000 0.000 1.0 AmbTrs H4 CW C* CB 0 180 0 0 0.000 6.525 0.000 0.000 1.0 AmbTrs NA CN CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs H NA CN CB 0 180 0 0 0.000 1.525 0.000 0.000 1.0 AmbTrs H NA CN CA 0 180 0 0 0.000 1.525 0.000 0.000 1.0 AmbTrs CN CB CA HA 0 180 0 0 0.000 3.500 0.000 0.000 1.0 AmbTrs CN CA CA HA 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HA CA CN CB 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs HA CA CA CB 0 180 0 0 0.000 3.625 0.000 0.000 1.0 AmbTrs CT CT SH HS 0 0 0 0 0.000 0.000 0.250 0.000 1.0 AmbTrs H1 CT CT SH 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs H1 CT SH HS 0 0 0 0 0.000 0.000 0.250 0.000 1.0 AmbTrs HP CT C N 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HP CT C O 0 0 0 0 0.000 0.000 0.000 0.000 1.0 AmbTrs HC CT CT S 0 0 0 0 0.000 0.000 0.156 0.000 1.0 AmbTrs CT S CT H1 0 0 0 0 0.000 0.000 0.333 0.000 1.0 ImpTrs CT O2 C O2 10.5 180.0 2.0 ImpTrs CT N C O 10.5 180.0 2.0 ImpTrs C CT N CT 1.0 180.0 2.0 ImpTrs CT CV CC NA 1.1 180.0 2.0 ImpTrs CA CA CA CT 1.1 180.0 2.0 ImpTrs N2 N2 CA N2 10.5 180.0 2.0 ImpTrs CA CA C OH 1.1 180.0 2.0 ImpTrs CB CT C* CW 1.1 180.0 2.0 ImpTrs C CT N H 1.1 180.0 2.0 ImpTrs C H N H 1.0 180.0 2.0 ImpTrs CC CR NA H 1.0 180.0 2.0 ImpTrs NA NB CR H5 1.1 180.0 2.0 ImpTrs CC NB CV H4 1.1 180.0 2.0 ImpTrs CA CA CA HA 1.1 180.0 2.0 ImpTrs CT CA N2 H 1.0 180.0 2.0 ImpTrs CA H N2 H 1.0 180.0 2.0 ImpTrs CA C CA HA 1.1 180.0 2.0 ImpTrs C* NA CW H4 1.1 180.0 2.0 ImpTrs CW CN NA H 1.0 180.0 2.0 ImpTrs CN CA CA HA 1.1 180.0 2.0 ImpTrs CA CB CA HA 1.1 180.0 2.0